data_1x4b_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 1x4b _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 ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -133.17 113.24 12.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.427 HD13 ' CG2' ' A' ' 82' ' ' VAL . 9.2 mp -106.24 138.79 41.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.799 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 16.4 t80 -96.62 112.37 24.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.951 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.507 HD11 ' CZ ' ' A' ' 48' ' ' TYR . 9.1 mm -84.41 128.06 39.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.85 134.32 11.0 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.523 1.14 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.96 74.16 1.11 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.469 HD21 ' CG2' ' A' ' 32' ' ' ILE . 6.1 mt -95.85 -4.76 43.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 0.793 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.531 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER 81.15 -7.77 1.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.993 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.608 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 0.5 OUTLIER 75.22 -2.17 2.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.4 ' CB ' ' OD2' ' A' ' 94' ' ' ASP . 0.5 OUTLIER -111.41 4.12 18.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 110.3 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.413 ' CG2' ' HB2' ' A' ' 44' ' ' LEU . 1.1 m -106.14 109.79 21.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 110.421 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 24.7 p -81.94 178.68 8.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.429 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -53.72 -52.75 59.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -62.41 -64.04 1.05 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 110.317 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.5 m -39.86 -37.35 0.55 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 110.01 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.413 ' HB2' ' CG2' ' A' ' 39' ' ' THR . 1.3 tp -72.64 -57.9 3.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.457 ' HG2' ' CD1' ' A' ' 54' ' ' LEU . 12.2 mtp180 -49.09 -43.52 41.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 110.265 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -47.89 -24.72 1.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.539 ' CD2' ' CD1' ' A' ' 93' ' ' ILE . 33.0 t80 -92.82 -47.69 6.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.507 ' CZ ' HD11 ' A' ' 32' ' ' ILE . 51.3 m-85 -89.1 24.42 2.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 45' ' ' ARG . 2.5 mt-10 -98.95 -18.47 17.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.305 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -72.92 -61.48 1.8 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 110.328 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.641 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 7.3 m-90 -49.99 -41.08 46.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 108.021 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.54 160.91 29.61 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.501 1.125 . . . . 0.0 110.958 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.56 124.62 30.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 0.74 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.457 ' CD1' ' HG2' ' A' ' 45' ' ' ARG . 20.4 mt -79.27 117.76 20.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 75' ' ' THR . 22.4 p -72.17 -18.07 61.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.374 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -160.32 123.01 3.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 26.2 p -128.09 119.04 24.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 108.288 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.0 t -120.78 139.03 49.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.7 p -124.37 113.58 37.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.574 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 34.1 mmt -67.75 141.75 56.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.2 mtm105 -119.78 143.75 47.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.472 ' CB ' ' HB2' ' A' ' 65' ' ' SER . 30.1 m-20 -42.21 125.96 2.77 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -10.27 21.2 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.483 1.781 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -110.91 -42.19 4.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.472 ' HB2' ' CB ' ' A' ' 62' ' ' ASP . 0.5 OUTLIER -81.49 -35.54 30.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.028 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 62' ' ' ASP . 2.2 mmtp 65.8 42.35 3.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.1 mmt85 -126.73 -77.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.319 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.5 m -155.81 133.07 10.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.024 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.23 -35.81 23.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 103.43 19.18 12.73 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.482 1.114 . . . . 0.0 111.031 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.799 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -160.12 148.22 16.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 0.744 . . . . 0.0 110.99 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -156.85 -157.57 8.43 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.494 1.121 . . . . 0.0 111.025 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -132.27 143.69 50.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.457 HG21 ' CD1' ' A' ' 32' ' ' ILE . 3.7 m -124.84 115.53 44.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 55' ' ' THR . 2.5 m -102.06 104.88 15.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 110.4 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.535 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 13.4 m-85 -70.48 171.04 10.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.2 t -84.71 -39.97 17.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.01 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.95 164.44 19.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 0.0 110.01 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.47 -14.33 58.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.97 -58.19 3.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.257 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -48.22 -57.87 5.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.535 ' HB ' ' CD2' ' A' ' 76' ' ' PHE . 7.5 p -50.04 -45.74 23.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.352 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.41 -38.55 69.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.28 -40.11 86.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.24 -34.61 76.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -62.86 -41.7 99.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -98.76 49.75 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.577 ' O ' ' CD2' ' A' ' 91' ' ' HIS . . . -141.61 52.29 1.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.452 ' HA ' ' C ' ' A' ' 90' ' ' PRO . 12.6 mtm105 -109.63 158.38 34.92 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.334 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.452 ' C ' ' HA ' ' A' ' 89' ' ' ARG . 18.1 Cg_endo -75.04 -172.3 10.6 Favored 'Cis proline' 0 C--N 1.361 1.191 0 C-N-CA 120.968 -2.513 . . . . 0.0 110.965 0.018 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.641 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 4.2 m170 -125.87 124.45 40.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.582 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.0 p -118.17 117.22 28.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.067 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.539 ' CD1' ' CD2' ' A' ' 47' ' ' TYR . 15.0 mt -136.91 145.1 30.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.4 ' OD2' ' CB ' ' A' ' 38' ' ' GLU . 5.2 t0 63.26 13.42 6.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.15 17.5 69.32 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.496 1.123 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.463 ' CD ' HG12 ' A' ' 98' ' ' VAL . 0.0 OUTLIER -125.25 161.36 27.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 0.759 . . . . 0.0 110.249 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 60.1 t -91.41 111.81 24.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.463 HG12 ' CD ' ' A' ' 96' ' ' ARG . 1.1 m -99.22 -172.82 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -158.43 109.31 1.67 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.263 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 161.52 38.55 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.487 1.783 . . . . 0.0 111.032 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.87 155.77 45.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 110.286 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.476 ' C ' ' CD1' ' A' ' 30' ' ' LEU . 0.4 OUTLIER -140.88 119.23 12.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.517 ' N ' ' CD1' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -116.44 148.4 40.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.796 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 14.1 t80 -96.75 105.27 17.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.967 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.473 ' CG1' HG23 ' A' ' 74' ' ' VAL . 7.9 mm -79.35 131.48 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.11 136.87 9.82 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.466 1.104 . . . . 0.0 111.034 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 70' ' ' GLY . . . 83.88 68.29 1.42 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.467 HD22 ' CG2' ' A' ' 32' ' ' ILE . 4.6 mt -95.58 -1.77 49.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 0.769 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.559 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER 79.97 -1.35 2.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.985 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.559 ' CG ' ' C ' ' A' ' 36' ' ' SER . 2.4 m-85 75.7 -2.35 2.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 40' ' ' THR . 0.1 OUTLIER -105.1 -62.32 1.36 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.474 ' CG2' ' HB2' ' A' ' 44' ' ' LEU . 0.9 OUTLIER -39.05 97.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.362 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.438 ' N ' ' O ' ' A' ' 38' ' ' GLU . 73.1 p -73.95 -173.62 1.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.363 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -53.38 -54.63 33.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.322 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 45' ' ' ARG . 5.7 tt0 -61.68 -63.49 1.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.265 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.9 m -43.06 -31.55 0.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.012 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.474 ' HB2' ' CG2' ' A' ' 39' ' ' THR . 0.9 OUTLIER -79.64 -43.92 21.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.338 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 42' ' ' GLU . 26.8 mtm180 -63.13 -48.17 79.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -47.89 -24.54 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.421 1.076 . . . . 0.0 109.321 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.536 ' CE1' ' O ' ' A' ' 92' ' ' SER . 26.8 t80 -88.26 -52.79 5.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.961 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -89.1 28.19 1.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 45' ' ' ARG . 2.0 mt-10 -99.31 -19.64 16.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.098 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -72.0 -61.22 1.86 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.278 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.638 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 6.2 m-90 -50.15 -43.4 52.08 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -174.6 157.87 25.61 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 0.0 111.034 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.84 121.96 25.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 0.787 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 37.4 mt -73.71 109.49 7.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 75' ' ' THR . 16.5 p -71.86 -15.27 62.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.387 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -158.97 111.15 2.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.412 ' O ' ' SG ' ' A' ' 57' ' ' CYS . 14.1 p -128.27 125.6 39.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 108.315 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.4 t -130.82 141.57 45.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.6 p -119.81 114.17 43.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.583 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 33.8 mmt -69.18 146.65 52.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.402 ' HA ' ' N ' ' A' ' 69' ' ' ARG . 64.6 mtt180 -128.34 134.94 48.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.286 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.462 ' CB ' ' HB2' ' A' ' 65' ' ' SER . 10.4 m-20 -40.75 130.86 1.85 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -8.3 19.91 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.508 1.793 . . . . 0.0 111.032 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -113.13 -40.35 3.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.462 ' HB2' ' CB ' ' A' ' 62' ' ' ASP . 0.6 OUTLIER -85.67 -37.07 19.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.945 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER 59.06 26.95 15.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 68' ' ' SER . 20.5 mtt180 -128.17 61.5 1.45 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 110.305 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 67' ' ' ARG . 15.5 m 61.44 129.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 110.001 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.402 ' N ' ' HA ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -86.03 -36.31 19.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 34' ' ' GLY . . . 113.68 17.36 7.53 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.426 1.079 . . . . 0.0 110.975 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.796 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -159.38 148.41 18.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 0.775 . . . . 0.0 110.988 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -155.75 -163.34 12.1 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -125.24 146.11 49.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 0.745 . . . . 0.0 111.03 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.473 HG23 ' CG1' ' A' ' 32' ' ' ILE . 18.9 m -131.6 120.59 45.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 55' ' ' THR . 1.7 m -112.78 111.57 22.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.386 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -78.55 172.92 12.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.22 -46.36 11.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.98 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.5 m -111.54 155.75 22.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.984 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.476 ' HA ' ' CG1' ' A' ' 82' ' ' VAL . 34.0 tpp -79.25 -11.69 59.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.983 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.89 -51.96 11.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 84' ' ' ALA . 7.9 mm-40 -56.25 -56.26 23.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 110.286 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.476 ' CG1' ' HA ' ' A' ' 79' ' ' MET . 7.4 p -48.33 -48.28 13.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.73 -27.41 59.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 81' ' ' GLU . . . -76.76 -58.54 3.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -51.62 -42.28 61.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -54.05 -48.36 70.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -101.18 48.65 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.503 ' O ' ' CD2' ' A' ' 91' ' ' HIS . . . -130.71 41.11 3.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.489 ' CB ' ' HA ' ' A' ' 90' ' ' PRO . 4.9 mtm180 -91.3 161.14 35.59 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.246 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.489 ' HA ' ' CB ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -74.99 178.85 32.87 Favored 'Cis proline' 0 C--N 1.36 1.14 0 C-N-CA 121.021 -2.491 . . . . 0.0 111.003 -0.027 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.638 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 8.4 m170 -128.2 120.22 26.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.551 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.536 ' O ' ' CE1' ' A' ' 47' ' ' TYR . 14.5 p -115.34 119.21 35.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.038 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.528 HG12 ' CE1' ' A' ' 47' ' ' TYR . 16.3 mt -134.99 147.74 29.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.571 1.169 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.441 ' OD2' ' N ' ' A' ' 39' ' ' THR . 0.4 OUTLIER 62.65 14.27 7.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 88.18 -4.85 85.37 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.451 ' NH2' ' OE2' ' A' ' 99' ' ' GLU . 7.2 ptm180 -105.3 168.36 9.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 0.792 . . . . 0.0 110.275 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 61.0 t -97.54 104.41 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 1.2 m -85.45 -175.1 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.137 . . . . 0.0 109.339 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.451 ' OE2' ' NH2' ' A' ' 96' ' ' ARG . 2.0 pm0 -158.77 109.97 1.61 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.169 . . . . 0.0 110.277 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.51 ' O ' ' CD ' ' A' ' 101' ' ' LYS . 18.2 Cg_endo -75.07 158.92 41.68 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.486 1.782 . . . . 0.0 110.971 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.51 ' CD ' ' O ' ' A' ' 100' ' ' PRO . 0.1 OUTLIER -143.49 168.89 18.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 179.932 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.35 118.11 34.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.492 ' CD1' ' CG2' ' A' ' 82' ' ' VAL . 8.4 mp -107.61 124.02 49.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.785 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 9.6 t80 -86.87 109.65 19.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.474 ' CG2' HD22 ' A' ' 35' ' ' LEU . 6.3 mm -84.47 133.82 28.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.66 134.89 10.19 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.512 1.132 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 70' ' ' GLY . . . 79.48 76.01 0.99 Allowed Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.474 HD22 ' CG2' ' A' ' 32' ' ' ILE . 3.7 mt -98.45 2.34 47.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 0.769 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.551 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 78.03 0.34 2.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.032 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.551 ' CG ' ' C ' ' A' ' 36' ' ' SER . 1.9 m-85 75.67 -2.33 2.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 39' ' ' THR . 0.1 OUTLIER -106.12 -64.93 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 110.33 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 38' ' ' GLU . 0.9 OUTLIER -37.66 99.5 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 0.0 110.428 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.4 ' N ' ' O ' ' A' ' 38' ' ' GLU . 60.3 p -77.34 -164.79 0.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.435 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -61.18 -54.24 46.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.083 . . . . 0.0 110.306 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 45' ' ' ARG . 3.2 mt-10 -59.68 -66.58 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.271 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.8 m -40.14 -33.31 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.994 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.47 ' CD2' ' CG1' ' A' ' 74' ' ' VAL . 9.2 tp -70.94 -51.14 27.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.5 OUTLIER -58.39 -52.54 65.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.311 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -43.16 -27.7 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.6 ' CE1' ' O ' ' A' ' 92' ' ' SER . 40.1 t80 -92.59 -46.46 7.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 111.047 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.439 ' CB ' HD13 ' A' ' 54' ' ' LEU . 21.4 m-85 -88.59 23.83 2.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.585 1.178 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 45' ' ' ARG . 2.1 mt-10 -99.48 -27.99 13.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.407 ' CD ' ' O ' ' A' ' 47' ' ' TYR . 1.9 pt20 -70.94 -14.24 62.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 110.302 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.643 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 8.9 m0 -98.17 -35.54 10.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 108.019 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 175.06 162.5 26.57 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.44 1.088 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.78 124.55 29.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.776 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.439 HD13 ' CB ' ' A' ' 48' ' ' TYR . 24.1 mt -82.64 109.93 17.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 17.8 p -74.84 -9.34 58.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 0.0 110.426 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -160.51 112.78 1.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.087 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 24.6 p -126.59 119.04 26.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 108.291 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.4 t -128.45 139.64 51.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 14.7 p -124.38 114.66 41.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.577 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 34.9 mmt -67.27 147.39 53.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 0.0 111.008 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 41.1 mtt180 -126.41 142.68 51.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 110.29 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 66' ' ' LYS . 2.8 t70 -49.6 128.77 19.11 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -13.69 21.39 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.44 1.758 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -105.13 -40.37 5.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.81 -34.65 26.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.019 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER 61.11 40.15 15.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -125.3 -74.81 0.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.323 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.6 t -164.45 132.79 3.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 110.042 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.49 -43.89 22.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 34' ' ' GLY . . . 113.93 19.3 6.47 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.545 1.153 . . . . 0.0 110.976 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.785 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 0.4 OUTLIER -158.03 147.99 20.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 0.803 . . . . 0.0 111.044 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -155.56 -158.75 8.94 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 4.1 m-85 -131.6 145.11 51.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 0.78 . . . . 0.0 110.966 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.47 ' CG1' ' CD2' ' A' ' 44' ' ' LEU . 17.0 m -131.33 111.79 20.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.6 m -100.75 111.67 23.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.374 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.492 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 36.8 m-85 -77.41 170.06 17.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.977 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 t -81.16 -46.48 14.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.993 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.64 157.36 24.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.006 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.83 -16.82 61.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 111.049 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.72 -58.71 3.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 84' ' ' ALA . 1.0 OUTLIER -46.83 -59.61 2.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.333 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.492 ' CG2' ' CD1' ' A' ' 30' ' ' LEU . 6.6 p -47.61 -48.87 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -53.23 -34.68 58.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 87' ' ' ALA . . . -62.4 -61.56 2.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -44.07 -42.17 6.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.137 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.2 mtp -57.3 -40.81 78.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . -102.55 46.61 0.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.422 ' O ' ' CD2' ' A' ' 91' ' ' HIS . . . -142.86 41.13 1.54 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.102 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.489 ' CB ' ' HA ' ' A' ' 90' ' ' PRO . 14.6 mtm180 -96.0 160.92 28.94 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.489 ' HA ' ' CB ' ' A' ' 89' ' ' ARG . 18.2 Cg_endo -75.08 -173.15 11.83 Favored 'Cis proline' 0 C--N 1.359 1.13 0 C-N-CA 121.008 -2.497 . . . . 0.0 110.942 0.038 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.643 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 17.0 m170 -123.89 123.52 40.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.591 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.6 ' O ' ' CE1' ' A' ' 47' ' ' TYR . 6.2 p -119.54 116.97 27.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.049 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.593 ' CD1' ' CD2' ' A' ' 47' ' ' TYR . 15.5 mt -137.09 145.94 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 64.48 12.51 7.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.73 19.8 65.01 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.563 1.165 . . . . 0.0 111.002 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.478 ' CZ ' ' HB2' ' A' ' 96' ' ' ARG . 0.0 OUTLIER -130.31 157.26 43.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 0.742 . . . . 0.0 110.299 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 40.5 t -85.51 113.25 23.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 1.5 m -97.45 -172.77 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.0 108.98 2.11 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 159.41 41.38 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.463 1.77 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -138.48 137.78 37.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.132 . . . . 0.0 110.336 -179.977 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 71.6 mtt180 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.47 113.78 22.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.419 ' CD1' ' CG2' ' A' ' 82' ' ' VAL . 6.8 mp -106.41 134.24 49.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.798 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 25.0 t80 -96.42 108.86 21.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.494 HD13 ' CZ ' ' A' ' 48' ' ' TYR . 9.3 mm -82.42 123.7 38.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.32 135.12 12.59 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.506 1.129 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.501 ' O ' ' CG1' ' A' ' 98' ' ' VAL . . . 81.74 80.94 0.89 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.489 HD22 ' CG2' ' A' ' 32' ' ' ILE . 3.0 mt -106.98 3.25 25.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.75 . . . . 0.0 109.337 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.577 ' O ' ' CD2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 74.69 1.31 3.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.995 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.577 ' CD2' ' O ' ' A' ' 36' ' ' SER . 4.2 m-85 75.2 -2.21 2.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 40' ' ' THR . 1.5 mt-10 -106.03 -64.51 1.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.289 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 38' ' ' GLU . 0.9 OUTLIER -37.8 97.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.367 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.434 ' N ' ' O ' ' A' ' 38' ' ' GLU . 18.3 p -72.7 -166.98 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.374 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -60.69 -54.25 47.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.428 ' C ' ' N ' ' A' ' 44' ' ' LEU . 4.7 tt0 -61.71 -62.41 1.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.0 m -40.52 -29.48 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.964 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.428 ' N ' ' C ' ' A' ' 42' ' ' GLU . 14.6 tp -77.58 -61.64 1.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -46.34 -48.73 18.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.334 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.3 t30 -47.54 -25.5 1.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.566 ' CE2' HG12 ' A' ' 93' ' ' ILE . 23.4 t80 -93.98 -45.4 7.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.494 ' CZ ' HD13 ' A' ' 32' ' ' ILE . 27.1 m-85 -88.77 22.73 2.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 45' ' ' ARG . 2.9 mt-10 -99.01 -14.18 19.57 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 110.26 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.408 ' CD ' ' O ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -83.51 -8.28 59.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.335 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.491 ' CH2' ' CD2' ' A' ' 91' ' ' HIS . 6.5 m0 -103.44 -37.8 7.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 107.995 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 179.3 160.13 24.55 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.81 114.61 18.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 0.777 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 20.3 mt -72.01 125.49 27.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 69.7 p -82.38 -14.37 55.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.377 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -160.96 120.7 2.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 8.0 t -127.93 119.36 25.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 108.332 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.3 t -127.14 140.91 47.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.4 p -124.1 112.86 34.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.571 ' HG3' ' CE1' ' A' ' 71' ' ' PHE . 33.0 mmt -68.67 148.31 50.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.425 ' HA ' ' N ' ' A' ' 69' ' ' ARG . 10.1 mtt180 -140.03 127.24 21.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 110.29 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 66' ' ' LYS . 57.3 m-20 -40.88 122.4 1.9 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -21.08 16.27 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.515 1.798 . . . . 0.0 111.023 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -93.36 -43.54 8.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.52 -48.03 13.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.992 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER 73.59 28.79 1.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 55.9 mtt180 -128.06 48.71 2.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.2 m 60.58 146.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 110.003 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.57 ' HD3' ' CE2' ' A' ' 71' ' ' PHE . 3.1 mtt180 -92.2 -37.28 12.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.266 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' GLY . . . 107.59 20.85 8.24 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.523 1.139 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.798 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 1.3 p90 -160.25 151.61 19.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 0.735 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -156.27 -161.01 10.39 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.52 1.137 . . . . 0.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -131.36 147.15 52.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 0.773 . . . . 0.0 111.029 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.468 HG22 ' CD1' ' A' ' 32' ' ' ILE . 30.8 m -135.13 110.96 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 109.237 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 21.0 m -97.91 104.34 16.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.358 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.508 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 30.0 m-85 -69.28 169.94 11.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.73 -46.42 12.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 109.983 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.65 170.61 8.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.029 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.439 ' O ' ' CG1' ' A' ' 82' ' ' VAL . 6.1 tpt -81.29 -28.36 34.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.34 -64.66 0.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.347 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -41.11 -60.12 1.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.508 ' HB ' ' CD2' ' A' ' 76' ' ' PHE . 7.4 p -53.3 -45.65 56.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.24 -27.91 56.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.351 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.88 -48.83 34.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -55.25 -39.85 70.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.435 ' CE ' ' HG3' ' A' ' 102' ' ' ARG . 1.2 mtp -56.86 -41.14 77.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -112.22 40.11 2.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -110.99 -19.12 12.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.44 ' HA ' ' C ' ' A' ' 90' ' ' PRO . 3.5 mtm180 -46.18 159.15 0.34 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.323 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.44 ' C ' ' HA ' ' A' ' 89' ' ' ARG . 18.5 Cg_endo -75.01 -176.99 19.23 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 120.983 -2.507 . . . . 0.0 111.007 -0.008 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.491 ' CD2' ' CH2' ' A' ' 51' ' ' TRP . 32.8 m170 -140.71 128.77 22.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.604 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.3 p -119.19 111.08 17.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.057 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.566 HG12 ' CE2' ' A' ' 47' ' ' TYR . 19.3 mt -127.4 137.09 58.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.4 t70 68.35 9.75 7.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.084 . . . . 0.0 109.305 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 94.3 -8.07 72.24 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.504 1.127 . . . . 0.0 111.028 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.476 ' HD2' ' CB ' ' A' ' 36' ' ' SER . 0.3 OUTLIER -105.7 160.71 15.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 0.745 . . . . 0.0 110.282 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 43.1 t -89.77 116.73 31.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.501 ' CG1' ' O ' ' A' ' 34' ' ' GLY . 8.4 m -93.46 -179.3 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.36 108.94 2.05 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 156.89 42.97 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.472 1.775 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.9 mmtm -134.23 150.5 51.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.435 ' HG3' ' CE ' ' A' ' 86' ' ' MET . 10.0 mtt180 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.7 mtm-85 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.84 118.92 35.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.441 HD13 ' CG2' ' A' ' 82' ' ' VAL . 9.0 mp -111.43 160.2 17.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.1 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.794 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 19.2 t80 -122.41 109.97 15.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.477 ' CD1' HG21 ' A' ' 74' ' ' VAL . 5.4 mm -82.5 132.91 30.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.43 114.73 2.21 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.446 1.091 . . . . 0.0 110.991 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.5 ' O ' ' CG1' ' A' ' 98' ' ' VAL . . . 111.7 70.02 0.58 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 37' ' ' PHE . 4.0 mt -106.68 8.92 31.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.599 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 1.1 t 66.83 -73.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.988 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 36' ' ' SER . 0.3 OUTLIER 161.98 -25.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 110.996 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -99.22 30.1 3.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.573 1.171 . . . . 0.0 110.277 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.1 m -113.88 112.3 23.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.377 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 38.2 p -92.99 165.37 12.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.396 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -47.99 -53.86 14.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.251 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -54.31 -62.17 1.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 m -39.39 -57.01 1.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.998 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.411 HD21 ' CG1' ' A' ' 74' ' ' VAL . 0.9 OUTLIER -56.57 -48.45 77.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.25 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 49' ' ' GLU . 43.5 mtp180 -55.52 -57.28 12.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -42.11 -29.01 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.564 ' CD2' HD12 ' A' ' 93' ' ' ILE . 11.6 t80 -87.6 -52.81 5.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 111.018 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.413 ' CB ' HD12 ' A' ' 54' ' ' LEU . 32.1 m-85 -89.62 31.66 0.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 111.054 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 45' ' ' ARG . 1.0 OUTLIER -98.23 -30.49 12.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.32 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.414 ' CG ' ' N ' ' A' ' 51' ' ' TRP . 21.6 pt20 -67.54 -53.46 28.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.611 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 6.4 m0 -54.96 -21.34 11.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 107.967 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 164.16 163.31 16.84 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.514 1.133 . . . . 0.0 110.976 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.83 111.06 20.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 0.776 . . . . 0.0 109.259 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.465 HD11 ' CG1' ' A' ' 74' ' ' VAL . 21.0 mt -67.58 99.59 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 75' ' ' THR . 72.2 p -52.93 -23.46 7.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.425 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -161.17 129.26 4.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 48.8 t -127.5 118.86 24.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 108.323 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.1 t -118.1 134.78 60.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.8 p -124.09 114.11 39.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.579 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 34.6 mmt -67.31 143.72 56.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.424 ' HA ' ' N ' ' A' ' 69' ' ' ARG . 31.1 mtm180 -133.77 149.18 51.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.45 ' CB ' ' HB2' ' A' ' 65' ' ' SER . 66.1 m-20 -41.54 133.75 2.14 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 -10.77 21.3 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.485 1.782 . . . . 0.0 110.974 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -112.64 -41.64 3.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.45 ' HB2' ' CB ' ' A' ' 62' ' ' ASP . 0.3 OUTLIER -81.0 -36.67 30.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.007 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 61.9 32.22 17.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 16.6 mtt85 -105.35 -67.4 0.92 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.596 ' O ' ' CE1' ' A' ' 37' ' ' PHE . 46.2 t -169.47 148.42 3.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.528 1.143 . . . . 0.0 110.027 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.424 ' N ' ' HA ' ' A' ' 61' ' ' ARG . 0.2 OUTLIER -98.46 -39.79 8.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.262 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 113.59 11.83 12.5 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.494 1.121 . . . . 0.0 110.986 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.794 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 1.8 p90 -157.8 152.95 25.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -161.03 -157.79 8.95 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.46 1.1 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.477 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 1.3 m-85 -135.1 151.97 51.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 0.761 . . . . 0.0 111.017 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.477 HG21 ' CD1' ' A' ' 32' ' ' ILE . 15.7 m -135.07 112.25 14.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 55' ' ' THR . 2.6 m -96.54 103.62 15.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.377 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.469 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 15.9 m-85 -68.6 -175.57 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.3 t -94.18 -52.69 4.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.988 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 69.5 m -118.88 168.91 10.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.958 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.48 ' O ' ' CG1' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -69.43 -42.53 74.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.52 1.137 . . . . 0.0 110.961 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.05 -61.35 2.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -43.19 -64.41 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.249 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.48 ' CG1' ' O ' ' A' ' 79' ' ' MET . 7.5 p -53.6 -33.88 23.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 79' ' ' MET . 0.3 OUTLIER -61.38 -36.16 79.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.25 -53.48 29.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -50.45 -35.99 31.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.77 -29.19 69.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.968 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -123.93 39.31 4.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.43 ' HB2' ' CE2' ' A' ' 51' ' ' TRP . . . -109.76 -21.55 12.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.486 ' CB ' ' HA ' ' A' ' 90' ' ' PRO . 3.3 mtm105 -46.6 160.97 0.3 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.486 ' HA ' ' CB ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -74.97 177.1 40.53 Favored 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 121.006 -2.498 . . . . 0.0 111.008 -0.049 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.611 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 39.7 m170 -138.98 133.1 31.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.639 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.3 p -119.06 121.14 39.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.03 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.564 HD12 ' CD2' ' A' ' 47' ' ' TYR . 9.7 mm -129.41 138.33 54.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.4 t0 64.88 12.14 7.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 86.25 18.6 58.83 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.483 1.114 . . . . 0.0 110.963 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.452 ' CG ' ' O ' ' A' ' 93' ' ' ILE . 0.4 OUTLIER -126.68 154.02 44.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 0.749 . . . . 0.0 110.316 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 13.0 t -82.06 104.56 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.5 ' CG1' ' O ' ' A' ' 34' ' ' GLY . 2.1 m -86.49 -179.92 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -154.45 109.28 2.4 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 160.08 40.55 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.509 1.794 . . . . 0.0 110.976 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -136.42 163.53 30.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.303 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.2 mtm-85 . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.297 -0.261 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.14 117.32 26.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.8 mp -111.22 165.7 11.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.799 ' CZ ' ' CD2' ' A' ' 71' ' ' PHE . 45.4 t80 -114.57 103.58 11.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.984 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.429 ' CG2' HD22 ' A' ' 35' ' ' LEU . 6.7 mm -78.69 130.76 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.248 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.25 138.56 11.35 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.531 1.145 . . . . 0.0 110.974 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.79 67.81 1.34 Allowed Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 37' ' ' PHE . 10.4 mt -103.42 9.14 37.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 0.749 . . . . 0.0 109.325 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.592 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 1.3 t 66.46 -69.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.595 ' CD1' ' O ' ' A' ' 68' ' ' SER . 0.3 OUTLIER 162.05 -25.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 111.0 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 40' ' ' THR . 1.6 mp0 -89.42 -45.69 9.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.262 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 38' ' ' GLU . 1.8 m -37.75 96.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 110.399 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 38' ' ' GLU . 72.8 p -83.33 178.16 8.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.42 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -53.22 -50.37 64.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.269 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -63.07 -62.56 1.63 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.273 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.8 m -39.3 -47.55 1.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.019 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.445 HD21 ' CG1' ' A' ' 74' ' ' VAL . 2.2 tp -61.13 -65.08 0.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.464 ' HG2' ' CD1' ' A' ' 54' ' ' LEU . 8.1 mtp180 -46.61 -47.28 19.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.283 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -47.01 -25.15 0.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.403 ' N ' ' C ' ' A' ' 45' ' ' ARG . 27.8 t80 -93.55 -47.35 6.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -89.92 26.06 1.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.976 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 45' ' ' ARG . 3.5 mt-10 -99.07 -13.67 19.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.277 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -76.26 -61.17 2.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 110.313 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.627 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 9.1 m-90 -50.66 -37.07 38.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 108.005 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -178.33 165.34 34.59 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.533 1.145 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.21 118.09 27.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 0.752 . . . . 0.0 109.349 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.464 ' CD1' ' HG2' ' A' ' 45' ' ' ARG . 12.5 mt -75.29 99.66 4.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.44 ' N ' ' O ' ' A' ' 75' ' ' THR . 61.4 p -46.76 -25.86 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.435 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -159.39 126.72 4.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.426 ' CB ' ' HG3' ' A' ' 45' ' ' ARG . 28.8 p -128.08 117.55 21.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 108.294 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.4 t -115.64 142.31 29.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.336 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.3 p -124.06 121.89 63.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.572 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 36.3 mmt -73.93 136.47 43.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -134.72 138.24 44.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.293 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.53 134.97 13.18 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -21.55 15.87 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.477 1.777 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -99.38 -47.96 4.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.256 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.91 -37.1 72.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.47 1.106 . . . . 0.0 109.999 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 75.9 19.25 1.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.341 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.1 mtt-85 -121.21 148.33 44.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.298 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.595 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 66.8 m -42.32 129.1 3.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.993 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.09 -28.11 67.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 117.1 11.94 8.68 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.556 1.16 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.799 ' CD2' ' CZ ' ' A' ' 31' ' ' PHE . 9.3 p90 -158.28 154.41 27.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -158.42 -162.71 12.07 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.498 1.124 . . . . 0.0 111.059 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -128.61 149.55 50.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 110.99 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.445 ' CG1' HD21 ' A' ' 44' ' ' LEU . 12.3 m -135.73 123.33 35.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 55' ' ' THR . 2.4 m -110.24 99.85 8.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.421 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.477 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 19.6 m-85 -65.73 175.34 1.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 111.039 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.1 t -86.41 -48.64 8.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.101 . . . . 0.0 109.992 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.91 -179.69 3.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.991 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.465 ' O ' ' CG1' ' A' ' 82' ' ' VAL . 0.6 OUTLIER -88.23 -31.88 18.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 111.019 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.76 -62.13 2.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -43.61 -62.51 1.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.294 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.477 ' HB ' ' CD2' ' A' ' 76' ' ' PHE . 7.3 p -50.31 -35.37 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.16 -34.65 78.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.359 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.27 -37.99 68.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.97 -34.16 76.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.459 ' CE ' ' HG3' ' A' ' 102' ' ' ARG . 0.7 OUTLIER -65.59 -34.2 77.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -114.7 51.98 0.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.549 ' O ' ' CD2' ' A' ' 91' ' ' HIS . . . -138.64 50.73 1.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.454 ' CB ' ' HA ' ' A' ' 90' ' ' PRO . 5.3 mtm105 -111.59 160.06 30.87 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.347 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.454 ' HA ' ' CB ' ' A' ' 89' ' ' ARG . 18.2 Cg_endo -75.04 -168.91 6.88 Favored 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 121.003 -2.499 . . . . 0.0 110.965 0.029 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.627 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 5.0 m170 -132.87 139.86 47.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 109.578 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.3 p -125.31 111.4 15.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.996 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.479 ' O ' ' CG ' ' A' ' 96' ' ' ARG . 9.9 mt -137.21 150.33 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.469 ' OD2' ' CB ' ' A' ' 36' ' ' SER . 41.5 t0 57.96 28.52 16.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 66.59 19.99 69.56 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.485 ' CZ ' ' HB2' ' A' ' 96' ' ' ARG . 0.1 OUTLIER -128.31 168.21 15.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 0.76 . . . . 0.0 110.339 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 60.5 t -97.06 103.98 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.401 HG22 ' CB ' ' A' ' 91' ' ' HIS . 1.4 m -89.86 -174.39 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -158.67 109.53 1.63 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.258 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.437 ' HD2' ' CD ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -74.99 150.33 38.06 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.485 1.782 . . . . 0.0 111.035 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt -141.43 178.64 7.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.459 ' HG3' ' CE ' ' A' ' 86' ' ' MET . 1.5 ttt180 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.7 mtm105 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.47 116.67 29.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.2 mp -110.49 146.12 36.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.36 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.642 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 30.2 t80 -98.32 103.6 15.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.974 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.416 ' CD1' HG23 ' A' ' 74' ' ' VAL . 3.9 mm -82.17 133.91 28.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.29 131.65 6.65 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.509 1.131 . . . . 0.0 111.017 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.511 ' O ' ' CG1' ' A' ' 98' ' ' VAL . . . 100.61 57.92 0.86 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.9 mt -99.41 9.31 43.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 0.762 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.587 ' O ' ' CG ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 74.11 -72.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.021 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.587 ' CG ' ' O ' ' A' ' 36' ' ' SER . 0.2 OUTLIER 164.34 -28.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.991 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 40' ' ' THR . 2.0 tt0 -87.97 -55.39 3.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.253 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 38' ' ' GLU . 1.1 m -36.9 98.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.116 . . . . 0.0 110.416 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 38' ' ' GLU . 80.7 p -81.63 -166.81 1.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.394 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -59.44 -55.34 35.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 43' ' ' SER . 2.2 mt-10 -57.35 -66.29 0.48 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 110.324 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 42' ' ' GLU . 3.3 m -38.58 -38.85 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.5 tp -74.6 -59.93 2.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -46.15 -46.17 17.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 110.309 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -46.83 -25.56 0.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.571 ' CD2' HD13 ' A' ' 93' ' ' ILE . 9.8 t80 -91.71 -47.33 7.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -88.55 23.28 2.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 45' ' ' ARG . 1.1 mt-10 -98.81 -18.78 17.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -73.24 -60.64 2.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.351 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.635 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 7.3 m-90 -50.09 -36.34 29.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 107.988 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 179.97 155.81 16.36 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.506 1.129 . . . . 0.0 110.945 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.08 119.77 21.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.8 mt -75.62 125.87 29.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 34.5 p -86.11 -27.77 24.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.39 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -143.65 113.08 6.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 11.7 t -127.96 121.87 30.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 0.0 108.317 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.7 t -124.05 139.72 49.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.9 p -124.43 108.98 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.365 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.579 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 34.3 mmt -57.76 149.25 22.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.427 ' HA ' ' N ' ' A' ' 69' ' ' ARG . 2.0 mtm-85 -135.65 123.9 23.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.423 ' N ' ' HG3' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -40.99 124.2 2.0 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -25.6 11.64 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.52 1.8 . . . . 0.0 110.956 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -90.14 -49.18 6.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.6 m -72.09 -48.14 46.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 110.011 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 75.29 20.99 1.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.4 mtt85 -126.57 58.34 1.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.32 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.7 m 60.32 148.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.137 . . . . 0.0 109.966 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.563 ' HD3' ' CE2' ' A' ' 71' ' ' PHE . 3.4 mtt180 -91.93 -45.71 8.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.345 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 117.69 12.22 8.07 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.642 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 1.3 p90 -158.29 155.62 29.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 0.763 . . . . 0.0 110.978 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -164.85 -160.7 12.59 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -124.16 151.67 43.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.416 HG23 ' CD1' ' A' ' 32' ' ' ILE . 6.7 m -132.65 119.39 38.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.3 m -111.26 109.37 19.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.411 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.413 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 28.7 m-85 -73.16 -178.21 2.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.984 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.45 -44.41 10.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.998 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.55 176.32 5.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.01 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.45 ' O ' ' CG1' ' A' ' 82' ' ' VAL . 3.6 tpt -85.09 -30.17 24.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.435 ' O ' ' CB ' ' A' ' 83' ' ' ASP . . . -60.68 -62.34 1.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -43.03 -61.81 1.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.45 ' CG1' ' O ' ' A' ' 79' ' ' MET . 7.6 p -50.45 -32.72 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.435 ' CB ' ' O ' ' A' ' 80' ' ' ALA . 2.7 t0 -65.85 -35.1 79.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.14 -45.8 72.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.2 -48.04 81.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.456 ' CE ' ' HG3' ' A' ' 102' ' ' ARG . 0.6 OUTLIER -50.12 -38.72 40.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -109.16 48.51 0.86 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.58 ' O ' ' CD2' ' A' ' 91' ' ' HIS . . . -136.59 46.35 2.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.473 ' CB ' ' HA ' ' A' ' 90' ' ' PRO . 4.1 mtm105 -106.25 160.88 24.64 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.323 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.473 ' HA ' ' CB ' ' A' ' 89' ' ' ARG . 18.4 Cg_endo -74.96 -174.91 14.95 Favored 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 121.004 -2.498 . . . . 0.0 110.998 0.013 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.635 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 7.1 m170 -127.13 126.3 42.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.603 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.4 p -115.88 112.88 22.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.971 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.571 HD13 ' CD2' ' A' ' 47' ' ' TYR . 5.4 mt -137.13 149.98 26.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.2 t70 64.51 12.55 7.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 85.12 1.25 88.61 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.553 1.158 . . . . 0.0 111.041 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.443 ' NH1' ' HB2' ' A' ' 96' ' ' ARG . 0.0 OUTLIER -115.71 162.4 17.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 0.731 . . . . 0.0 110.271 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 58.4 t -88.34 107.21 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.511 ' CG1' ' O ' ' A' ' 34' ' ' GLY . 1.6 m -88.03 -170.53 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.426 ' N ' HG23 ' A' ' 98' ' ' VAL . 3.6 pt-20 -158.25 109.44 1.71 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.153 . . . . 0.0 110.32 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 149.33 36.62 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.536 1.808 . . . . 0.0 110.995 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 25.7 mmtt -137.63 169.96 16.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.456 ' HG3' ' CE ' ' A' ' 86' ' ' MET . 5.8 mtp180 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.28 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.9 mtt-85 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -127.68 112.65 15.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.465 HD13 ' CG2' ' A' ' 82' ' ' VAL . 6.8 mp -104.26 141.8 35.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.62 ' CE2' ' CD1' ' A' ' 71' ' ' PHE . 29.4 t80 -102.61 108.66 20.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.479 ' CD1' HG21 ' A' ' 74' ' ' VAL . 6.5 mm -81.37 131.2 34.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.243 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.89 130.23 8.17 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 70' ' ' GLY . . . 81.62 76.26 1.08 Allowed Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.484 ' O ' ' CB ' ' A' ' 36' ' ' SER . 6.7 mt -97.0 -3.52 41.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 0.787 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.571 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 0.3 OUTLIER 83.82 -9.89 0.97 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.971 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.571 ' CG ' ' C ' ' A' ' 36' ' ' SER . 1.8 m-85 75.21 -2.35 2.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -113.98 4.71 15.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.3 m -102.24 108.91 20.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.415 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 35.2 p -77.81 158.47 29.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 110.407 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.469 ' CG ' HG11 ' A' ' 59' ' ' VAL . 85.8 mt-10 -40.44 -54.13 2.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 110.311 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 43' ' ' SER . 3.7 tt0 -56.8 -60.8 3.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 110.301 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 42' ' ' GLU . 0.6 OUTLIER -38.76 -53.54 1.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.981 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.449 ' CD2' ' CG1' ' A' ' 74' ' ' VAL . 1.9 tp -57.23 -50.97 71.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 49' ' ' GLU . 8.8 mtm180 -52.63 -56.03 18.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 110.319 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.4 t30 -39.83 -29.95 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.57 ' CE2' HD12 ' A' ' 93' ' ' ILE . 13.5 t80 -90.82 -44.67 9.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 111.022 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.433 ' CE1' HD11 ' A' ' 44' ' ' LEU . 35.5 m-85 -89.22 24.47 2.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 111.03 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 45' ' ' ARG . 0.5 OUTLIER -99.11 -31.81 11.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -63.23 -51.81 64.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.625 ' CZ2' ' NE2' ' A' ' 91' ' ' HIS . 5.2 m-90 -54.63 -41.27 69.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.122 . . . . 0.0 108.026 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.02 167.18 39.2 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.492 1.12 . . . . 0.0 111.048 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -85.94 116.97 24.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 0.781 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.454 HD12 ' CG ' ' A' ' 45' ' ' ARG . 30.8 mt -72.3 131.58 42.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.344 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 30.5 p -95.6 -15.44 22.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.397 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -159.08 118.16 2.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.45 ' SG ' ' NE ' ' A' ' 45' ' ' ARG . 6.2 p -125.7 121.65 34.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 108.316 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.2 t -130.7 138.62 53.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.469 HG11 ' CG ' ' A' ' 41' ' ' GLU . 7.3 p -124.46 115.78 45.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.573 ' HG3' ' CE1' ' A' ' 71' ' ' PHE . 36.6 mmt -68.17 136.27 53.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 111.037 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 62' ' ' ASP . 7.1 mtp180 -133.96 128.49 34.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.353 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 67' ' ' ARG . 0.4 OUTLIER -39.92 129.34 1.56 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -32.62 5.26 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.491 1.785 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -87.17 -46.32 9.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.36 -36.92 68.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.993 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 74.86 23.53 1.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 62' ' ' ASP . 6.2 mtp180 -122.11 154.61 37.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 0.0 110.341 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 18.8 m -58.96 124.78 21.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.022 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -65.18 -24.58 67.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.318 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' GLY . . . 100.07 25.13 9.16 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.62 ' CD1' ' CE2' ' A' ' 31' ' ' PHE . 2.1 p90 -160.34 148.8 16.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 0.761 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -159.77 -158.41 9.15 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.541 1.151 . . . . 0.0 110.974 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -131.39 145.78 51.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.762 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.479 HG21 ' CD1' ' A' ' 32' ' ' ILE . 26.4 m -131.13 108.75 15.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.9 m -96.94 108.99 21.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.402 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.466 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 21.6 m-85 -73.51 -176.16 2.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.55 -32.25 10.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.034 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.6 t -123.29 170.8 9.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.02 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.43 ' HA ' ' CG1' ' A' ' 82' ' ' VAL . 0.1 OUTLIER -85.8 -33.29 21.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 111.005 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.13 -60.33 3.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 83.6 mt-10 -44.84 -60.67 1.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.466 ' HB ' ' CD2' ' A' ' 76' ' ' PHE . 7.5 p -52.88 -44.63 49.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.5 -31.3 61.92 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.406 ' O ' ' CB ' ' A' ' 88' ' ' ALA . . . -68.25 -52.15 37.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.426 1.079 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -51.01 -35.77 35.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 93.1 mmm -64.24 -58.07 7.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -92.18 37.03 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.407 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . . . -112.39 -31.93 6.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.47 ' CB ' ' HA ' ' A' ' 90' ' ' PRO . 0.3 OUTLIER -40.26 160.75 0.11 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.327 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.594 ' O ' ' CD2' ' A' ' 91' ' ' HIS . 18.3 Cg_endo -75.03 -179.29 26.17 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 121.008 -2.497 . . . . 0.0 110.96 0.032 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.625 ' NE2' ' CZ2' ' A' ' 51' ' ' TRP . 32.8 m170 -145.82 147.81 32.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.644 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.7 m -132.39 134.86 45.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.961 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.57 HD12 ' CE2' ' A' ' 47' ' ' TYR . 10.6 mm -133.14 133.43 58.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.9 t70 69.78 7.59 6.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.092 . . . . 0.0 109.246 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 100.94 -9.96 58.44 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.49 1.118 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.495 ' CZ ' ' HB2' ' A' ' 96' ' ' ARG . 0.0 OUTLIER -94.33 162.67 13.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 0.0 110.287 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 17.3 t -95.32 112.98 28.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 1.9 m -94.03 -179.0 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -155.53 108.58 2.2 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.411 ' HD2' ' NE ' ' A' ' 89' ' ' ARG . 18.1 Cg_endo -75.02 161.88 37.99 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.492 1.785 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt -139.94 155.66 47.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.081 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.453 ' NH2' ' O ' ' A' ' 76' ' ' PHE . 10.9 mtp-105 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.13 118.15 32.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.496 ' CD2' ' SD ' ' A' ' 86' ' ' MET . 6.9 mp -106.6 149.73 26.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.801 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 6.9 t80 -111.29 112.23 23.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.515 HD11 ' CZ ' ' A' ' 48' ' ' TYR . 8.3 mm -84.67 133.64 28.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.68 130.13 7.77 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.517 1.135 . . . . 0.0 111.015 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.2 74.98 1.26 Allowed Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.47 ' O ' ' HB3' ' A' ' 36' ' ' SER . 2.9 mt -98.76 1.0 45.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 0.78 . . . . 0.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.525 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 0.2 OUTLIER 72.38 -3.33 2.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 110.038 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.525 ' CG ' ' C ' ' A' ' 36' ' ' SER . 0.8 OUTLIER 71.87 -0.96 3.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 111.042 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.404 ' C ' ' OD2' ' A' ' 94' ' ' ASP . 0.0 OUTLIER -115.35 19.51 15.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.316 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.23 106.71 12.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.377 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 41.6 p -78.66 168.8 19.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.404 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -45.63 -55.16 6.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.278 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 45' ' ' ARG . 0.3 OUTLIER -59.6 -59.44 5.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.264 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.2 m -43.11 -31.27 0.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 109.994 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.45 ' CD2' ' SG ' ' A' ' 57' ' ' CYS . 0.8 OUTLIER -82.62 -42.09 18.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 42' ' ' GLU . 8.3 mtm-85 -61.08 -45.61 94.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 0.0 110.275 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 29.4 t30 -52.22 -21.81 3.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.246 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.658 ' CD2' ' CD1' ' A' ' 93' ' ' ILE . 27.7 t80 -93.45 -43.67 8.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.982 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.515 ' CZ ' HD11 ' A' ' 32' ' ' ILE . 24.2 m-85 -93.1 22.75 4.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 111.044 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 45' ' ' ARG . 3.1 mt-10 -98.9 -23.53 15.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.507 1.129 . . . . 0.0 110.33 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -72.24 -36.32 69.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.66 ' CH2' ' CE1' ' A' ' 91' ' ' HIS . 6.5 m0 -74.38 -45.54 46.24 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -169.02 165.66 39.09 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.07 110.18 19.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 0.794 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 18.2 mt -69.78 112.48 6.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 75' ' ' THR . 40.0 p -55.38 -32.72 62.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 110.416 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -160.79 138.63 9.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.45 ' SG ' ' CD2' ' A' ' 44' ' ' LEU . 32.2 t -128.48 123.77 34.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 108.325 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.9 t -119.66 136.55 56.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 14.7 p -124.6 119.46 56.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.565 ' HG3' ' CE1' ' A' ' 71' ' ' PHE . 33.4 mmt -71.82 135.47 46.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -133.28 126.36 31.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.335 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 66' ' ' LYS . 1.6 t0 -41.14 124.52 2.09 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.259 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -21.12 16.21 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.465 1.771 . . . . 0.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -95.94 -46.42 6.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.78 -32.69 57.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.997 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 62' ' ' ASP . 0.3 OUTLIER 75.47 15.69 2.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -113.99 145.22 41.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.7 t -46.18 133.06 9.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.02 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -27.16 66.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.334 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 102.12 16.37 23.43 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.801 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 1.3 p90 -159.18 147.11 17.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 0.749 . . . . 0.0 110.961 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -153.06 -159.82 9.3 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.478 1.111 . . . . 0.0 110.972 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.447 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 1.6 m-85 -133.93 151.24 51.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 111.056 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 26.7 m -135.28 122.54 36.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 55' ' ' THR . 5.6 m -104.98 104.94 14.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 110.38 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.562 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 27.2 m-85 -68.88 169.5 11.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.977 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.25 -34.26 17.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.961 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.3 m -127.83 171.87 11.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.01 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.442 ' HA ' ' CG1' ' A' ' 82' ' ' VAL . 1.3 tpt -83.28 -26.76 30.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.138 . . . . 0.0 110.991 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.21 -60.6 3.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -45.76 -61.25 1.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.34 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.562 ' HB ' ' CD2' ' A' ' 76' ' ' PHE . 7.6 p -51.29 -47.2 34.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.31 -21.9 38.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.23 -65.69 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.356 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -40.3 -47.68 2.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.496 ' SD ' ' CD2' ' A' ' 30' ' ' LEU . 95.0 mmm -51.13 -54.82 21.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -92.75 51.08 1.66 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.52 ' O ' ' CD2' ' A' ' 91' ' ' HIS . . . -141.88 40.3 1.67 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.477 ' CB ' ' HA ' ' A' ' 90' ' ' PRO . 26.2 mtm-85 -95.4 161.02 29.27 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.27 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.477 ' HA ' ' CB ' ' A' ' 89' ' ' ARG . 18.4 Cg_endo -74.96 -177.53 20.76 Favored 'Cis proline' 0 C--N 1.361 1.194 0 C-N-CA 120.986 -2.506 . . . . 0.0 111.0 -0.063 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.66 ' CE1' ' CH2' ' A' ' 51' ' ' TRP . 7.9 m170 -125.36 130.28 51.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.613 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 p -121.74 114.41 21.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.658 ' CD1' ' CD2' ' A' ' 47' ' ' TYR . 9.6 mt -137.12 148.34 26.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.404 ' OD2' ' C ' ' A' ' 38' ' ' GLU . 7.3 t0 65.65 12.3 8.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 85.67 7.24 82.0 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -121.5 168.11 12.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 0.741 . . . . 0.0 110.322 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 98.2 t -93.65 105.92 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 1.5 m -90.3 -173.22 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -155.79 108.73 2.15 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.301 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.418 ' HG3' ' ND1' ' A' ' 91' ' ' HIS . 18.3 Cg_endo -74.98 160.79 39.79 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.493 1.786 . . . . 0.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.3 mttm -138.75 158.67 43.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 10.4 ttt180 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 110.311 -180.0 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.4 mtm180 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -87.19 112.91 22.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.43 ' CD2' ' SD ' ' A' ' 86' ' ' MET . 0.9 OUTLIER -102.48 165.69 10.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.736 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 11.6 t80 -121.74 112.4 18.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.991 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.516 HD11 ' CZ ' ' A' ' 48' ' ' TYR . 8.1 mm -87.66 120.2 36.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.68 119.63 4.01 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.509 1.131 . . . . 0.0 111.015 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.438 ' O ' ' NE ' ' A' ' 96' ' ' ARG . . . 121.1 34.04 0.92 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.526 ' CD1' ' N ' ' A' ' 35' ' ' LEU . 2.2 mp -79.2 2.6 20.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 0.762 . . . . 0.0 109.339 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.559 ' O ' ' CG ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 72.04 -66.26 0.31 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 110.015 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.559 ' CG ' ' O ' ' A' ' 36' ' ' SER . 0.2 OUTLIER 166.74 -28.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 40' ' ' THR . 6.9 mt-10 -83.78 -55.61 4.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 110.274 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 38' ' ' GLU . 1.0 OUTLIER -37.49 96.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.392 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 38' ' ' GLU . 79.3 p -86.12 -159.88 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.417 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.469 ' HG2' ' CG1' ' A' ' 59' ' ' VAL . 34.2 mt-10 -65.13 -51.38 61.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.16 . . . . 0.0 110.328 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 45' ' ' ARG . 1.6 tt0 -58.11 -69.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 110.322 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 42' ' ' GLU . 4.8 m -38.6 -55.4 1.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 110.02 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.454 ' CD1' HG23 ' A' ' 32' ' ' ILE . 0.9 OUTLIER -51.15 -46.98 62.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 49' ' ' GLU . 9.2 mtp180 -66.66 -50.71 62.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -46.32 -25.59 0.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.676 ' CD2' ' CD1' ' A' ' 93' ' ' ILE . 77.3 t80 -92.7 -45.76 7.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.516 ' CZ ' HD11 ' A' ' 32' ' ' ILE . 20.6 m-85 -87.98 20.74 2.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.976 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 45' ' ' ARG . 2.8 mt-10 -99.28 -16.73 18.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.266 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.401 ' CD ' ' O ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -83.36 -7.67 59.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.312 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.623 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 7.9 m0 -105.33 -36.95 7.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 108.023 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.99 166.42 37.59 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.487 1.117 . . . . 0.0 111.042 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.59 109.35 20.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 0.767 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.533 HD23 ' CE1' ' A' ' 76' ' ' PHE . 17.8 mt -69.11 104.27 2.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 75' ' ' THR . 36.0 p -59.92 -14.73 17.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 110.407 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -160.92 117.77 2.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.404 ' O ' ' SG ' ' A' ' 57' ' ' CYS . 27.3 p -122.61 116.6 24.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 108.275 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.8 t -121.75 139.04 50.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.108 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.469 ' CG1' ' HG2' ' A' ' 41' ' ' GLU . 7.7 p -124.56 112.32 31.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.564 ' HG3' ' CE1' ' A' ' 71' ' ' PHE . 35.4 mmt -64.03 147.15 52.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 111.027 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.418 ' HA ' ' N ' ' A' ' 69' ' ' ARG . 19.3 mtt180 -139.3 132.1 29.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.27 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 66' ' ' LYS . 46.2 m-20 -45.6 124.98 6.22 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.354 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -18.55 18.54 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.48 1.779 . . . . 0.0 110.978 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -97.78 -41.86 7.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.88 -47.86 12.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.977 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER 72.06 26.78 2.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 45.7 mtt-85 -124.95 48.12 2.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 49.2 m 61.15 145.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.039 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.425 ' HG2' ' N ' ' A' ' 62' ' ' ASP . 0.2 OUTLIER -90.63 -41.13 11.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.317 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 115.22 17.81 6.55 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.736 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 1.8 p90 -160.29 152.14 20.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 0.777 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -157.99 -158.46 8.99 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.525 1.141 . . . . 0.0 110.98 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -132.4 151.07 52.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 0.759 . . . . 0.0 111.019 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.443 HG22 ' CD1' ' A' ' 32' ' ' ILE . 28.7 m -134.33 112.5 16.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 55' ' ' THR . 19.9 m -100.5 98.26 8.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.514 1.134 . . . . 0.0 110.387 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.572 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 30.1 m-85 -67.26 172.48 4.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.27 -54.5 6.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.936 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.3 m -112.61 174.05 6.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.984 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.419 ' HA ' ' CG1' ' A' ' 82' ' ' VAL . 0.8 OUTLIER -87.83 -10.91 49.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.34 -59.54 2.7 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 109.339 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -48.51 -60.4 2.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.572 ' HB ' ' CD2' ' A' ' 76' ' ' PHE . 6.4 p -49.16 -44.6 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.45 -30.61 65.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.72 -60.46 3.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.351 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.459 ' HB1' ' CE3' ' A' ' 51' ' ' TRP . . . -45.32 -50.64 11.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.43 ' SD ' ' CD2' ' A' ' 30' ' ' LEU . 98.8 mmm -47.68 -51.56 21.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 111.025 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -91.52 47.33 1.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -141.77 27.38 1.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.449 ' HA ' ' C ' ' A' ' 90' ' ' PRO . 0.5 OUTLIER -82.84 158.79 64.54 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.449 ' C ' ' HA ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -75.03 -174.91 14.99 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 121.016 -2.493 . . . . 0.0 111.001 0.02 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.623 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 18.8 m170 -127.06 136.93 52.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.581 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.532 ' O ' ' CE1' ' A' ' 47' ' ' TYR . 4.6 p -127.88 114.75 17.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.971 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.676 ' CD1' ' CD2' ' A' ' 47' ' ' TYR . 15.9 mt -134.61 150.6 30.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.1 t0 62.93 14.31 7.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.9 12.21 81.57 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.479 1.112 . . . . 0.0 110.96 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.445 ' HD3' ' CB ' ' A' ' 36' ' ' SER . 7.0 ptm180 -127.75 168.15 15.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 72.7 t -88.53 116.5 30.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 1.5 m -99.16 -173.17 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.354 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -159.19 109.39 1.54 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 110.266 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 162.43 37.19 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.458 1.767 . . . . 0.0 111.004 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.401 ' HD2' ' CD1' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -141.91 140.67 32.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.273 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 68.5 mtt180 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.437 ' NZ ' ' CD1' ' A' ' 73' ' ' PHE . 0.5 OUTLIER -90.53 114.44 26.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.7 mp -107.06 136.38 47.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.738 ' CE2' ' CD1' ' A' ' 71' ' ' PHE . 23.0 t80 -93.13 109.49 20.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.464 ' CD1' HG21 ' A' ' 74' ' ' VAL . 15.8 mm -78.71 126.7 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.96 112.57 1.49 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.446 ' O ' ' CG1' ' A' ' 98' ' ' VAL . . . 123.91 36.74 0.61 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.405 ' N ' ' CD1' ' A' ' 35' ' ' LEU . 5.5 mp -77.37 -8.79 58.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 0.78 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.538 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER 65.91 9.98 6.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.988 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.538 ' CG ' ' C ' ' A' ' 36' ' ' SER . 2.5 m-85 75.43 -2.25 2.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.143 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -101.2 -52.06 3.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -49.98 97.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.442 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 18.6 p -82.01 -172.67 4.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.395 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -54.05 -55.8 24.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.327 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -56.02 -70.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.327 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.5 m -38.24 -58.35 0.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 110.032 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.459 HD11 ' CG2' ' A' ' 32' ' ' ILE . 13.6 tp -45.75 -60.36 2.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.481 ' O ' ' N ' ' A' ' 49' ' ' GLU . 14.7 mtp180 -56.56 -50.0 73.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.173 . . . . 0.0 110.306 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 45' ' ' ARG . 5.6 t30 -40.25 -29.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.59 ' CE1' ' O ' ' A' ' 92' ' ' SER . 65.7 t80 -94.37 -43.4 8.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.437 ' CB ' HD13 ' A' ' 54' ' ' LEU . 41.8 m-85 -87.1 21.96 2.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 45' ' ' ARG . 2.1 mt-10 -99.08 -17.23 18.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.246 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -74.45 -61.87 1.72 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.607 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 7.6 m-90 -51.31 -40.62 59.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 107.999 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 48' ' ' TYR . . . -175.86 170.62 43.6 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.08 127.3 37.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 0.732 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.437 HD13 ' CB ' ' A' ' 48' ' ' TYR . 10.5 mt -81.71 110.23 16.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.444 ' CG2' ' HA ' ' A' ' 77' ' ' SER . 34.2 p -59.43 -21.14 59.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 110.398 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -160.9 127.08 3.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 8.4 t -128.29 122.37 31.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 108.311 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.3 t -127.33 139.53 51.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.3 p -124.26 118.54 54.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.335 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.567 ' HG3' ' CE1' ' A' ' 71' ' ' PHE . 34.5 mmt -68.57 142.85 55.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.5 mtp180 -136.7 137.74 40.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.256 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 66' ' ' LYS . 1.6 t0 -53.56 124.34 40.93 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -13.5 21.44 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.514 1.797 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -104.73 -43.23 5.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.76 -17.17 42.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.999 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 62' ' ' ASP . 6.2 mmtt 56.31 38.15 29.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.59 144.73 42.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.46 130.73 5.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -66.13 -27.44 68.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.257 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 108.14 17.5 10.8 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.738 ' CD1' ' CE2' ' A' ' 31' ' ' PHE . 4.7 p90 -161.05 154.75 22.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 0.774 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -156.72 -161.25 10.62 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.472 1.107 . . . . 0.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.437 ' CD1' ' NZ ' ' A' ' 29' ' ' LYS . 8.7 m-85 -131.59 144.92 51.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 0.744 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.464 HG21 ' CD1' ' A' ' 32' ' ' ILE . 27.4 m -131.97 115.96 28.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 55' ' ' THR . 12.9 m -101.12 98.96 9.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 110.411 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.522 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 17.4 m-85 -65.26 156.59 31.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.444 ' HA ' ' CG2' ' A' ' 55' ' ' THR . 1.0 OUTLIER -69.76 -51.45 33.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.001 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 t -111.62 175.69 5.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.009 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.461 ' O ' ' CG1' ' A' ' 82' ' ' VAL . 0.6 OUTLIER -87.39 -30.19 20.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.963 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.11 -62.55 1.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -42.96 -62.45 1.02 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.522 ' HB ' ' CD2' ' A' ' 76' ' ' PHE . 7.4 p -51.23 -43.45 28.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.342 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.13 -37.43 66.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.76 -41.07 72.24 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.52 1.137 . . . . 0.0 109.267 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.09 -29.34 69.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.358 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.1 mtp -67.28 -39.12 86.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.997 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -110.85 38.94 2.36 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.15 . . . . 0.0 109.307 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -111.05 -23.81 10.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.471 ' HA ' ' C ' ' A' ' 90' ' ' PRO . 0.1 OUTLIER -42.0 154.35 0.26 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.471 ' C ' ' HA ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -75.05 155.1 99.93 Favored 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 120.987 -2.506 . . . . 0.0 111.045 0.02 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.607 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 8.0 m170 -103.0 118.98 38.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.63 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.59 ' O ' ' CE1' ' A' ' 47' ' ' TYR . 74.7 p -106.82 125.53 51.13 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.507 1.129 . . . . 0.0 110.047 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.561 HG12 ' CD2' ' A' ' 47' ' ' TYR . 12.7 mt -134.51 123.7 43.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 59.28 29.99 19.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 109.273 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.43 -8.77 60.55 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.488 1.118 . . . . 0.0 110.987 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.41 ' O ' ' HA ' ' A' ' 92' ' ' SER . 0.0 OUTLIER -80.48 158.46 25.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.776 . . . . 0.0 110.32 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 99.3 t -105.84 84.58 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.446 ' CG1' ' O ' ' A' ' 34' ' ' GLY . 1.1 m -83.58 170.54 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -151.52 111.2 2.98 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.287 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.465 ' HD2' ' CD ' ' A' ' 89' ' ' ARG . 18.2 Cg_endo -75.01 157.72 42.56 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.518 1.799 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.4 mmmt -134.44 160.21 38.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.267 -0.271 . . . . 0.0 110.267 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.69 121.82 34.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.7 mp -119.18 149.21 42.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.589 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 20.9 t80 -109.8 104.59 13.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 111.027 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.477 ' CD1' HG21 ' A' ' 74' ' ' VAL . 5.6 mm -82.19 131.66 33.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.55 142.0 13.27 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.488 1.117 . . . . 0.0 110.973 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 87.77 58.8 1.77 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.469 ' CD1' HD12 ' A' ' 44' ' ' LEU . 7.0 mt -95.95 8.83 42.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 0.796 . . . . 0.0 109.345 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.569 ' O ' ' CG ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 76.26 -69.91 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.047 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.569 ' CG ' ' O ' ' A' ' 36' ' ' SER . 0.2 OUTLIER 159.86 -25.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 39' ' ' THR . 0.0 OUTLIER -85.66 -49.48 7.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 110.256 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 38' ' ' GLU . 1.0 OUTLIER -36.88 99.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.387 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 41' ' ' GLU . 0.7 OUTLIER -84.55 160.98 20.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 110.388 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.46 ' HG3' ' CG1' ' A' ' 59' ' ' VAL . 1.2 tt0 -37.54 -66.42 0.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -48.16 -59.09 3.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.105 . . . . 0.0 110.264 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.8 m -40.74 -56.83 2.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.955 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.469 HD12 ' CD1' ' A' ' 35' ' ' LEU . 7.1 tp -49.08 -52.73 23.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 49' ' ' GLU . 14.9 mtp180 -55.52 -49.96 71.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -47.93 -25.8 1.48 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.687 ' CD2' ' CD1' ' A' ' 93' ' ' ILE . 18.4 t80 -91.76 -45.34 8.47 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.49 1.119 . . . . 0.0 111.031 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -89.47 23.08 2.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.137 . . . . 0.0 111.013 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 45' ' ' ARG . 1.4 mt-10 -99.32 -22.28 15.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.424 ' HG2' ' N ' ' A' ' 51' ' ' TRP . 0.4 OUTLIER -76.05 -30.8 58.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.638 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 7.8 m0 -79.34 -38.65 34.64 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -179.56 155.57 16.06 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 111.027 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.12 118.11 19.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 0.793 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.404 HD11 ' CG ' ' A' ' 45' ' ' ARG . 11.1 mt -77.0 105.05 7.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 73.2 p -63.89 -28.74 70.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.431 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -146.71 115.85 6.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 43.1 t -127.76 127.13 43.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 108.292 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.0 t -127.06 131.31 70.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.46 ' CG1' ' HG3' ' A' ' 41' ' ' GLU . 10.8 p -114.26 113.86 45.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.579 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 33.6 mmt -68.77 145.92 53.36 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.5 mtt85 -126.4 161.81 27.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.322 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.474 ' HB3' ' CB ' ' A' ' 65' ' ' SER . 7.5 t0 -72.9 128.33 88.22 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -11.21 21.43 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.515 1.797 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -107.57 -36.1 6.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.474 ' CB ' ' HB3' ' A' ' 62' ' ' ASP . 0.1 OUTLIER -85.57 -40.73 15.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.983 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 62' ' ' ASP . 21.8 mttp 67.68 40.07 2.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -127.31 -73.24 0.61 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.28 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 m -164.81 144.47 7.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.981 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.1 -28.09 20.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 95.98 18.19 32.66 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.451 1.094 . . . . 0.0 111.027 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.602 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.2 OUTLIER -160.27 150.95 18.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 0.741 . . . . 0.0 110.97 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -162.17 -159.75 10.49 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.475 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 1.5 m-85 -127.8 143.37 51.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 0.804 . . . . 0.0 111.005 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.477 HG21 ' CD1' ' A' ' 32' ' ' ILE . 21.1 m -124.62 110.58 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.9 m -96.28 103.39 15.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.352 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.563 ' CE2' ' HA ' ' A' ' 82' ' ' VAL . 28.3 m-85 -68.95 167.77 15.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 111.037 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.4 t -79.49 -49.83 11.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.033 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.55 173.91 6.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 109.991 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.408 ' HA ' ' CG1' ' A' ' 82' ' ' VAL . 0.3 OUTLIER -83.68 -17.74 40.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.984 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.69 -60.87 2.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 84' ' ' ALA . 1.3 mt-10 -45.69 -61.68 1.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.108 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.563 ' HA ' ' CE2' ' A' ' 76' ' ' PHE . 6.0 p -47.02 -49.37 7.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.06 -33.43 51.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 81' ' ' GLU . . . -65.94 -63.33 1.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -43.08 -46.84 5.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -51.82 -45.38 63.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -104.38 50.71 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -138.74 30.03 2.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.473 ' CB ' ' HA ' ' A' ' 90' ' ' PRO . 7.4 mtm180 -89.19 160.94 41.8 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.279 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.473 ' HA ' ' CB ' ' A' ' 89' ' ' ARG . 18.4 Cg_endo -74.99 -174.29 13.85 Favored 'Cis proline' 0 C--N 1.359 1.131 0 C-N-CA 120.979 -2.509 . . . . 0.0 111.009 -0.039 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.638 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 23.1 m170 -129.34 124.56 34.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.549 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.8 p -114.9 115.62 27.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 110.032 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.687 ' CD1' ' CD2' ' A' ' 47' ' ' TYR . 9.4 mt -136.89 142.01 39.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.0 t0 65.47 16.11 10.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.145 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.98 5.44 89.31 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.53 1.143 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.495 ' CZ ' ' HB2' ' A' ' 96' ' ' ARG . 0.1 OUTLIER -113.9 169.64 8.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 0.759 . . . . 0.0 110.257 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.43 ' O ' ' NH2' ' A' ' 96' ' ' ARG . 62.2 t -98.38 98.49 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 3.0 m -75.02 -174.74 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -158.52 109.35 1.66 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 155.17 42.82 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.522 1.801 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 21.3 mttp -142.14 160.61 39.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.308 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.3 mtt180 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.71 114.66 16.26 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.497 ' CD2' ' SD ' ' A' ' 86' ' ' MET . 5.8 mp -107.95 155.77 19.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.8 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 35.0 t80 -112.84 103.81 11.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 110.979 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.442 ' CG2' HD21 ' A' ' 35' ' ' LEU . 9.1 mm -77.65 130.6 36.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.1 134.26 8.56 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.449 1.093 . . . . 0.0 111.038 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.484 ' O ' ' CG1' ' A' ' 98' ' ' VAL . . . 89.93 72.29 1.26 Allowed Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.442 HD21 ' CG2' ' A' ' 32' ' ' ILE . 5.7 mt -104.81 -1.15 26.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 0.769 . . . . 0.0 109.32 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.539 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 0.3 OUTLIER 65.12 8.98 5.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.981 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.539 ' CG ' ' C ' ' A' ' 36' ' ' SER . 3.2 m-85 74.04 -2.01 2.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 40' ' ' THR . 9.2 mt-10 -98.04 -67.85 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.416 ' CG2' ' HB2' ' A' ' 44' ' ' LEU . 1.4 m -37.99 97.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.455 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.438 ' N ' ' O ' ' A' ' 38' ' ' GLU . 70.9 p -79.33 -172.51 3.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.407 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -56.31 -51.27 68.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 110.307 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 43' ' ' SER . 3.9 tt0 -65.22 -67.86 0.41 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 110.321 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 42' ' ' GLU . 13.9 m -37.91 -41.35 0.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.155 . . . . 0.0 109.97 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.42 HD21 ' CG1' ' A' ' 74' ' ' VAL . 1.5 tp -64.76 -63.23 1.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.471 ' O ' ' N ' ' A' ' 49' ' ' GLU . 9.9 mtp180 -47.6 -46.83 28.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 110.262 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -44.09 -27.12 0.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.684 ' CD2' ' CD1' ' A' ' 93' ' ' ILE . 45.6 t80 -94.47 -45.6 7.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -87.88 23.16 2.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.974 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 45' ' ' ARG . 3.9 mt-10 -99.46 -18.69 17.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 110.279 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -72.24 -58.49 3.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 110.273 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.535 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 6.8 m-90 -54.7 -44.39 73.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 108.012 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -169.63 163.44 36.97 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.01 114.27 24.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 0.747 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.41 HD22 ' CE1' ' A' ' 76' ' ' PHE . 14.9 mt -70.38 106.87 3.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 75' ' ' THR . 3.4 p -56.88 -21.12 27.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.401 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -160.84 126.16 3.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.352 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 30.8 p -127.29 120.0 27.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 108.312 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.403 HG13 ' N ' ' A' ' 59' ' ' VAL . 6.8 t -122.13 141.58 41.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.403 ' N ' HG13 ' A' ' 58' ' ' VAL . 13.4 p -124.3 112.9 34.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.303 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.58 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 33.7 mmt -64.3 155.29 32.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.1 mtt85 -140.05 137.71 34.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.317 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.53 126.64 1.83 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -16.41 20.2 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.447 1.761 . . . . 0.0 110.972 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -104.58 -46.21 4.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.83 -31.95 61.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.003 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 58.03 36.26 25.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 28.5 mtt-85 -117.46 -72.63 0.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.563 1.164 . . . . 0.0 110.288 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.9 m -174.94 135.71 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.044 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.5 mtm180 -84.07 -39.83 19.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 106.9 22.66 7.49 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.469 1.106 . . . . 0.0 111.03 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.8 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 0.4 OUTLIER -157.44 151.2 24.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 0.0 110.963 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -158.33 -161.89 11.38 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -126.39 150.31 48.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 0.763 . . . . 0.0 111.009 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.42 ' CG1' HD21 ' A' ' 44' ' ' LEU . 4.1 m -134.62 107.93 9.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 55' ' ' THR . 6.7 m -95.17 100.82 12.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 110.444 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.552 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 22.0 m-85 -67.42 172.86 4.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.1 t -87.81 -40.0 14.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.037 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.83 165.27 15.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 0.0 110.041 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.97 -23.59 38.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.981 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.8 -60.57 2.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.319 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -44.78 -60.52 1.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.552 ' HB ' ' CD2' ' A' ' 76' ' ' PHE . 6.1 p -47.83 -47.0 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.168 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -54.4 -37.51 65.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.98 -66.25 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -40.18 -53.36 2.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.497 ' SD ' ' CD2' ' A' ' 30' ' ' LEU . 95.6 mmm -48.31 -54.01 15.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.425 1.078 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.41 47.59 1.5 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.525 ' O ' ' CD2' ' A' ' 91' ' ' HIS . . . -148.67 57.63 1.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.461 ' HA ' ' C ' ' A' ' 90' ' ' PRO . 11.0 mtm-85 -106.47 155.7 38.32 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 110.313 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.461 ' C ' ' HA ' ' A' ' 89' ' ' ARG . 18.4 Cg_endo -75.0 -167.85 6.0 Favored 'Cis proline' 0 C--N 1.359 1.13 0 C-N-CA 121.056 -2.477 . . . . 0.0 110.993 0.05 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.535 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 0.8 OUTLIER -128.64 115.66 18.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.609 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.496 ' O ' ' CE1' ' A' ' 47' ' ' TYR . 81.1 p -109.47 120.48 42.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.978 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.684 ' CD1' ' CD2' ' A' ' 47' ' ' TYR . 33.2 mt -137.15 133.39 47.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 56.5 25.68 10.02 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 74.72 25.55 69.48 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.54 1.15 . . . . 0.0 110.972 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.476 ' HG3' ' CB ' ' A' ' 36' ' ' SER . 0.4 OUTLIER -119.42 144.69 46.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 0.772 . . . . 0.0 110.292 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 73.4 t -86.19 76.01 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 109.235 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.484 ' CG1' ' O ' ' A' ' 34' ' ' GLY . 2.4 m -73.9 167.9 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -148.61 112.46 3.69 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.424 ' HG3' ' ND1' ' A' ' 91' ' ' HIS . 18.3 Cg_endo -75.02 157.16 42.84 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.465 1.771 . . . . 0.0 110.975 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -142.29 178.25 7.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 179.992 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.606 ' CZ ' ' CE ' ' A' ' 79' ' ' MET . 5.3 mmp_? . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.0 ttpt -130.75 115.96 17.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.41 ' N ' ' CD1' ' A' ' 30' ' ' LEU . 0.4 OUTLIER -108.09 134.59 50.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.763 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 10.7 t80 -94.33 102.7 14.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 111.012 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.476 ' CG2' HD22 ' A' ' 35' ' ' LEU . 3.4 mm -76.94 134.46 28.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.29 126.64 5.82 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.468 1.105 . . . . 0.0 110.966 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.495 ' O ' ' CG1' ' A' ' 98' ' ' VAL . . . 90.57 78.02 1.35 Allowed Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.476 HD22 ' CG2' ' A' ' 32' ' ' ILE . 4.8 mt -104.84 1.14 28.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 0.0 109.304 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.515 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 78.38 -1.34 2.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 0.0 110.047 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.515 ' CG ' ' C ' ' A' ' 36' ' ' SER . 1.2 m-85 75.59 -2.33 2.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 40' ' ' THR . 0.6 OUTLIER -105.99 -63.88 1.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 0.0 110.27 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 38' ' ' GLU . 2.2 m -38.37 97.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.357 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.43 ' N ' ' O ' ' A' ' 38' ' ' GLU . 36.7 p -68.33 -174.66 0.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 110.398 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.47 ' HG2' ' CG1' ' A' ' 59' ' ' VAL . 67.2 mt-10 -57.6 -49.73 75.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 110.294 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 45' ' ' ARG . 4.2 tt0 -65.6 -60.75 2.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.297 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.9 m -43.76 -29.47 0.53 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.016 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.4 HD11 ' CE2' ' A' ' 48' ' ' TYR . 0.4 OUTLIER -80.1 -43.52 21.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.276 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.475 ' HG2' ' CD1' ' A' ' 54' ' ' LEU . 22.0 mtm180 -62.42 -44.84 95.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.454 ' ND2' ' C ' ' A' ' 46' ' ' ASN . 0.8 OUTLIER -47.48 -27.21 1.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.575 ' CD2' HD13 ' A' ' 93' ' ' ILE . 75.1 t80 -91.53 -47.25 7.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.4 ' CE2' HD11 ' A' ' 44' ' ' LEU . 53.3 m-85 -89.29 26.68 1.59 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.965 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 45' ' ' ARG . 1.6 mt-10 -98.95 -13.7 19.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.459 ' CG ' ' N ' ' A' ' 51' ' ' TRP . 20.6 pt20 -82.92 -47.55 11.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.619 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 5.4 m-90 -65.26 -13.68 58.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 108.019 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 158.36 161.34 10.94 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.435 1.084 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.16 104.05 16.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 0.748 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.475 ' CD1' ' HG2' ' A' ' 45' ' ' ARG . 26.2 mt -59.08 115.02 2.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 62.4 p -72.14 -29.57 64.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.353 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -145.25 118.07 8.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 30.5 p -122.9 116.55 23.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.565 1.165 . . . . 0.0 108.324 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 8.1 t -123.66 140.86 45.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.16 . . . . 0.0 109.27 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.47 ' CG1' ' HG2' ' A' ' 41' ' ' GLU . 11.6 p -124.65 116.66 48.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.577 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 34.0 mmt -69.77 141.3 53.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 -133.87 153.56 51.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 110.307 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.444 ' CB ' ' HB2' ' A' ' 65' ' ' SER . 40.3 m-20 -61.65 132.89 93.28 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -20.1 17.25 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.519 1.8 . . . . 0.0 110.977 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -105.19 -43.8 4.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.444 ' HB2' ' CB ' ' A' ' 62' ' ' ASP . 0.1 OUTLIER -73.76 -32.82 64.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.981 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.68 11.89 7.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.3 134.26 55.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.337 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 42.0 m -39.17 132.74 1.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.983 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -72.37 -32.07 66.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 34' ' ' GLY . . . 112.78 25.12 4.67 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.534 1.146 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.763 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -160.08 145.01 14.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 0.738 . . . . 0.0 110.976 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -156.48 -159.05 9.18 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -128.64 149.38 50.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 0.767 . . . . 0.0 110.961 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.463 HG23 ' CD1' ' A' ' 32' ' ' ILE . 3.7 m -134.15 111.8 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.5 m -96.67 107.96 20.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.105 . . . . 0.0 110.422 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.566 ' CD1' ' HB3' ' A' ' 81' ' ' GLU . 13.4 m-85 -74.02 172.9 10.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.6 -48.62 6.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.045 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.416 ' CB ' ' HG2' ' A' ' 81' ' ' GLU . 0.1 OUTLIER -96.19 170.65 9.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 110.002 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.606 ' CE ' ' CZ ' ' A' ' 28' ' ' ARG . 0.7 OUTLIER -88.12 -16.12 34.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -90.43 -29.25 18.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.566 ' HB3' ' CD1' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -63.55 -24.78 67.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.451 HG22 ' NH1' ' A' ' 28' ' ' ARG . 2.0 m -91.73 -44.48 14.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.75 -24.04 63.72 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 87' ' ' ALA . . . -74.23 -67.73 0.59 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -41.78 -45.59 3.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.425 ' CE ' ' HG3' ' A' ' 102' ' ' ARG . 0.7 OUTLIER -48.82 -42.8 37.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 110.996 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . -109.43 48.96 0.85 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.554 ' O ' ' CD2' ' A' ' 91' ' ' HIS . . . -133.56 41.98 3.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.461 ' CB ' ' HA ' ' A' ' 90' ' ' PRO . 0.4 OUTLIER -95.99 159.84 31.36 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.129 . . . . 0.0 110.27 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.461 ' HA ' ' CB ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -74.99 -174.89 14.94 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 120.985 -2.506 . . . . 0.0 111.036 -0.035 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.619 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 6.9 m170 -130.99 114.78 15.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.594 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 85.3 p -101.67 125.34 48.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 110.023 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.575 HD13 ' CD2' ' A' ' 47' ' ' TYR . 21.7 mm -133.53 123.25 45.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 22.9 t0 67.53 9.27 6.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 101.7 -14.75 57.54 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.503 1.127 . . . . 0.0 110.961 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 96' ' ' ARG . 0.0 OUTLIER -86.81 166.28 15.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.773 . . . . 0.0 110.287 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 79.1 t -99.6 102.41 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.495 ' CG1' ' O ' ' A' ' 34' ' ' GLY . 2.7 m -84.12 -174.28 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -158.86 109.3 1.6 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 153.47 41.65 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.509 1.794 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -139.9 172.81 12.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.425 ' HG3' ' CE ' ' A' ' 86' ' ' MET . 6.2 mtt180 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.338 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.575 ' HE3' ' CD2' ' A' ' 73' ' ' PHE . 24.1 tttt -138.66 132.26 30.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.9 mp -123.42 157.62 33.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.79 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 14.0 t80 -111.76 101.89 10.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.456 ' CD1' HG23 ' A' ' 74' ' ' VAL . 4.1 mm -74.9 135.07 28.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.43 136.88 9.52 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.513 1.133 . . . . 0.0 111.031 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 70' ' ' GLY . . . 82.28 74.65 1.17 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.461 ' O ' ' HB3' ' A' ' 36' ' ' SER . 9.5 mt -102.66 -0.68 31.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 0.772 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.539 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 6.7 t 68.14 -0.35 2.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.962 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.539 ' CG ' ' C ' ' A' ' 36' ' ' SER . 1.7 m-85 69.09 -1.1 2.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -111.53 24.01 13.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.45 ' CG2' ' HB2' ' A' ' 44' ' ' LEU . 1.1 m -124.17 113.99 19.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.432 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 57.1 p -85.45 157.87 20.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.424 1.078 . . . . 0.0 110.415 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.454 ' CG ' ' CG1' ' A' ' 59' ' ' VAL . 60.0 mt-10 -41.31 -46.72 3.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.128 . . . . 0.0 110.288 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -63.71 -68.0 0.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.291 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.6 m -40.53 -34.37 0.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.999 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.45 ' HB2' ' CG2' ' A' ' 39' ' ' THR . 0.2 OUTLIER -74.49 -57.51 3.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 109.333 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.458 ' HG2' ' CD1' ' A' ' 54' ' ' LEU . 5.3 mtp180 -48.93 -45.02 41.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 110.332 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -49.77 -26.17 3.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.267 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -87.18 -47.22 9.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 110.993 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.406 ' HA ' ' CE3' ' A' ' 51' ' ' TRP . 71.7 m-85 -90.93 24.06 2.92 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.5 1.125 . . . . 0.0 110.955 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 45' ' ' ARG . 1.4 mt-10 -99.15 -22.79 15.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.15 . . . . 0.0 110.338 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -76.0 -30.96 58.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 110.274 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.652 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 8.0 m0 -78.62 -43.83 25.38 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -170.91 153.78 21.47 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.543 1.152 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.42 113.36 13.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 0.747 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.458 ' CD1' ' HG2' ' A' ' 45' ' ' ARG . 19.3 mt -74.31 115.96 14.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.6 p -74.25 -29.93 61.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 110.427 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -143.17 118.48 10.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 8.7 p -128.01 118.55 23.73 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 108.323 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 8.5 t -124.58 140.82 46.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 109.27 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.454 ' CG1' ' CG ' ' A' ' 41' ' ' GLU . 9.8 p -124.41 120.33 58.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.583 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 35.1 mmt -73.1 150.33 42.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.428 ' HA ' ' N ' ' A' ' 69' ' ' ARG . 34.4 mtt180 -130.55 141.8 50.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.257 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -41.82 139.65 1.57 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -11.05 21.42 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.522 1.801 . . . . 0.0 110.974 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -111.65 -49.81 2.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.05 -44.18 55.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.977 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.22 25.75 5.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -129.99 77.29 1.78 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 18.2 m 61.56 137.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.978 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.428 ' N ' ' HA ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -100.7 -23.07 14.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 34' ' ' GLY . . . 106.09 9.06 32.8 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.449 1.093 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.79 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -158.96 149.02 19.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 0.783 . . . . 0.0 110.989 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -156.05 -160.62 10.12 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.537 1.148 . . . . 0.0 110.954 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.575 ' CD2' ' HE3' ' A' ' 29' ' ' LYS . 5.7 m-85 -128.92 147.21 50.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.456 HG23 ' CD1' ' A' ' 32' ' ' ILE . 13.6 m -131.91 121.1 46.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.4 m -107.48 105.02 14.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 110.395 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.568 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 57.3 m-85 -71.89 179.74 3.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.4 t -90.64 -48.27 7.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.981 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.2 m -117.92 167.98 10.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.107 . . . . 0.0 109.991 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.452 ' HA ' ' CG1' ' A' ' 82' ' ' VAL . 0.2 OUTLIER -80.53 -17.15 52.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.91 -56.12 5.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -51.09 -58.66 5.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.276 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.568 ' HB ' ' CD2' ' A' ' 76' ' ' PHE . 7.1 p -52.75 -41.05 37.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.28 -32.77 70.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.78 -57.08 8.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -47.63 -48.62 28.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.2 mtp -49.92 -38.84 38.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -108.58 48.7 0.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.478 ' O ' ' CD2' ' A' ' 91' ' ' HIS . . . -137.62 35.68 2.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.448 ' CB ' ' HA ' ' A' ' 90' ' ' PRO . 4.6 mtm-85 -90.94 159.55 39.88 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.318 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.448 ' HA ' ' CB ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -75.05 -176.85 18.94 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 120.958 -2.517 . . . . 0.0 111.006 0.009 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.652 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 13.0 m170 -125.75 117.01 22.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.113 . . . . 0.0 109.563 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.4 p -108.26 116.07 31.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.032 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.41 ' O ' ' CG ' ' A' ' 96' ' ' ARG . 10.4 mt -137.01 142.83 36.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.407 ' OD2' ' OG ' ' A' ' 36' ' ' SER . 38.6 t70 63.46 13.84 7.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 85.68 5.09 84.68 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.495 ' CZ ' ' HB2' ' A' ' 96' ' ' ARG . 0.1 OUTLIER -112.65 168.5 9.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 0.793 . . . . 0.0 110.29 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 66.3 t -97.02 92.81 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.405 ' C ' ' OE1' ' A' ' 99' ' ' GLU . 1.5 m -73.84 -175.76 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.405 ' OE1' ' C ' ' A' ' 98' ' ' VAL . 1.7 pm0 -158.35 109.71 1.69 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 110.313 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 153.72 42.1 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.529 1.805 . . . . 0.0 111.054 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.0 mmmt -138.48 166.16 25.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.253 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 -179.967 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.57 114.68 23.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.2 mp -109.43 137.94 46.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.649 ' CE2' ' CD1' ' A' ' 71' ' ' PHE . 29.2 t80 -96.73 110.56 22.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.478 ' CG2' HD22 ' A' ' 35' ' ' LEU . 8.3 mm -81.5 130.73 35.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.3 132.57 9.39 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 70' ' ' GLY . . . 82.83 74.94 1.18 Allowed Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.478 HD22 ' CG2' ' A' ' 32' ' ' ILE . 6.8 mt -99.01 0.87 44.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 0.773 . . . . 0.0 109.266 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.531 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 0.2 OUTLIER 71.95 -3.18 2.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 109.987 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.631 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 0.2 OUTLIER 71.21 -1.06 2.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.417 ' CB ' ' OD2' ' A' ' 94' ' ' ASP . 0.3 OUTLIER -116.52 22.16 12.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.575 1.172 . . . . 0.0 110.284 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.8 107.33 13.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.414 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -85.72 176.22 8.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.429 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.492 ' OE2' ' N ' ' A' ' 59' ' ' VAL . 64.3 mm-40 -51.44 -61.15 2.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.254 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -46.91 -45.65 20.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.319 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 75.7 m -64.09 -53.92 42.13 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.48 1.112 . . . . 0.0 109.988 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 tp -57.56 -39.66 77.18 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.471 ' O ' ' N ' ' A' ' 49' ' ' GLU . 1.3 mtm105 -69.15 -54.7 13.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -45.59 -25.92 0.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.646 ' CD2' ' CD1' ' A' ' 93' ' ' ILE . 87.3 t80 -88.84 -50.81 5.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -88.58 24.44 1.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 45' ' ' ARG . 2.2 mt-10 -99.36 -24.66 14.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.415 ' CD ' ' O ' ' A' ' 47' ' ' TYR . 1.5 pt20 -74.67 -29.98 61.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.316 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.649 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 7.2 m0 -81.38 -36.1 30.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 108.007 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 178.82 163.38 29.89 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.474 1.108 . . . . 0.0 111.015 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.5 113.16 21.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 0.788 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 18.6 mt -69.98 113.01 6.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.423 ' N ' ' O ' ' A' ' 75' ' ' THR . 18.6 p -74.19 -13.29 60.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.417 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -159.39 115.67 2.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.408 ' SG ' ' OE1' ' A' ' 41' ' ' GLU . 28.4 p -128.04 119.86 26.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 108.28 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.2 t -128.97 129.92 68.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.492 ' N ' ' OE2' ' A' ' 41' ' ' GLU . 6.3 p -116.76 115.04 47.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.575 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 33.5 mmt -68.69 144.21 54.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.98 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -125.47 140.22 52.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 110.28 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.468 ' CB ' ' HB2' ' A' ' 65' ' ' SER . 2.9 m-20 -40.2 145.12 0.5 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -27.72 9.87 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.53 1.805 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -113.39 -49.09 2.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.511 ' O ' ' CG ' ' A' ' 67' ' ' ARG . 0.4 OUTLIER -66.44 -23.21 66.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.976 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.488 ' HG3' ' C ' ' A' ' 65' ' ' SER . 0.0 OUTLIER 35.21 33.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.511 ' CG ' ' O ' ' A' ' 65' ' ' SER . 6.0 mtt180 -121.14 46.32 2.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.6 m 71.28 132.71 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 110.019 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.31 -39.73 24.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.328 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 34' ' ' GLY . . . 114.12 13.49 9.95 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.649 ' CD1' ' CE2' ' A' ' 31' ' ' PHE . 0.5 OUTLIER -156.29 149.77 24.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 0.777 . . . . 0.0 110.997 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -156.37 -158.54 8.9 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -133.92 145.25 49.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 0.752 . . . . 0.0 111.016 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 16.7 m -133.68 114.63 20.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 55' ' ' THR . 1.8 m -105.29 105.63 15.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.367 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.516 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 40.4 m-85 -69.08 170.29 10.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.969 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.04 -41.63 17.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.952 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.6 160.55 21.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.992 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.404 ' O ' ' CG1' ' A' ' 82' ' ' VAL . 2.4 tpt -76.06 -23.01 55.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 110.974 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.76 -61.87 1.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 84' ' ' ALA . 1.2 mp0 -43.07 -61.25 1.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.332 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.516 ' HB ' ' CD2' ' A' ' 76' ' ' PHE . 6.3 p -47.89 -37.96 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -62.47 -36.17 81.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 81' ' ' GLU . . . -60.36 -55.6 31.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.25 -42.58 66.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -55.47 -35.1 65.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -116.68 50.12 1.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -139.35 29.85 2.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.482 ' CB ' ' HA ' ' A' ' 90' ' ' PRO . 10.6 mtm180 -86.63 160.9 49.53 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.308 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.482 ' HA ' ' CB ' ' A' ' 89' ' ' ARG . 18.2 Cg_endo -74.97 178.79 33.12 Favored 'Cis proline' 0 C--N 1.359 1.118 0 C-N-CA 121.011 -2.495 . . . . 0.0 111.025 -0.011 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.649 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 9.7 m170 -121.83 128.82 52.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.56 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.4 p -123.22 120.64 33.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.987 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.646 ' CD1' ' CD2' ' A' ' 47' ' ' TYR . 7.0 mt -137.06 148.72 26.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.417 ' OD2' ' CB ' ' A' ' 38' ' ' GLU . 4.6 t0 62.91 14.64 7.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.98 11.91 80.53 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.132 . . . . 0.0 110.97 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.509 ' CZ ' ' HB2' ' A' ' 96' ' ' ARG . 0.1 OUTLIER -121.63 168.65 11.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 0.75 . . . . 0.0 110.343 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.406 ' O ' ' NH2' ' A' ' 96' ' ' ARG . 47.8 t -94.77 105.95 17.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 1.3 m -92.43 -172.05 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -158.43 109.46 1.67 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.41 ' HG3' ' ND1' ' A' ' 91' ' ' HIS . 18.3 Cg_endo -74.98 157.27 42.94 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.548 1.815 . . . . 0.0 111.004 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 11.9 mmtm -136.1 152.51 50.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.256 -179.968 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 89.2 mtt180 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.81 117.11 11.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.3 mp -112.25 162.64 15.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.798 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 33.1 t80 -118.23 101.86 8.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.553 HD13 ' CE2' ' A' ' 48' ' ' TYR . 15.0 mm -75.64 131.74 34.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -135.22 113.03 1.06 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.509 ' O ' ' CG1' ' A' ' 98' ' ' VAL . . . 127.19 38.26 0.43 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.563 ' CD1' ' N ' ' A' ' 35' ' ' LEU . 1.3 mp -83.07 7.24 16.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 0.792 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.551 ' O ' ' CG ' ' A' ' 37' ' ' PHE . 0.3 OUTLIER 68.19 -64.43 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.979 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.551 ' CG ' ' O ' ' A' ' 36' ' ' SER . 0.2 OUTLIER 164.0 -27.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 111.033 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 39' ' ' THR . 3.4 tt0 -87.2 -53.12 5.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.348 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.483 ' CG2' HG23 ' A' ' 93' ' ' ILE . 1.2 m -37.91 99.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.391 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.4 ' N ' ' O ' ' A' ' 38' ' ' GLU . 81.0 p -84.53 -158.8 0.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.417 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.47 ' CG ' HG12 ' A' ' 59' ' ' VAL . 53.2 mt-10 -67.87 -51.02 53.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.343 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 43' ' ' SER . 23.8 tt0 -63.58 -63.63 1.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.31 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 42' ' ' GLU . 28.8 m -38.63 -42.69 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.009 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.473 ' CD1' HG22 ' A' ' 32' ' ' ILE . 2.0 tp -70.15 -53.3 17.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.466 ' O ' ' N ' ' A' ' 49' ' ' GLU . 4.6 mtp-105 -53.92 -51.21 64.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.268 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -42.81 -28.08 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.569 ' CD2' HD13 ' A' ' 93' ' ' ILE . 31.8 t80 -94.43 -44.06 8.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.553 ' CE2' HD13 ' A' ' 32' ' ' ILE . 38.2 m-85 -87.26 21.44 2.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 45' ' ' ARG . 3.0 mt-10 -99.71 -43.72 6.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -49.55 -45.5 47.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.248 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.57 ' CZ2' ' HB2' ' A' ' 88' ' ' ALA . 3.8 m-90 -65.1 -45.46 85.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 107.981 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -174.2 153.34 16.5 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.41 120.28 22.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 0.779 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.455 ' CD1' ' HG2' ' A' ' 45' ' ' ARG . 7.5 mt -78.23 112.54 15.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 75' ' ' THR . 13.6 p -53.53 -26.43 21.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.402 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -161.06 134.21 6.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.422 ' CB ' ' HD2' ' A' ' 45' ' ' ARG . 35.5 t -128.39 122.41 31.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 108.33 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.4 t -119.16 137.46 53.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.47 HG12 ' CG ' ' A' ' 41' ' ' GLU . 10.4 p -124.75 113.72 37.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.575 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 35.5 mmt -64.07 146.72 53.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 111.026 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.418 ' HA ' ' N ' ' A' ' 69' ' ' ARG . 31.4 mtp180 -130.19 133.78 46.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.419 ' N ' ' HG2' ' A' ' 69' ' ' ARG . 44.0 m-20 -47.1 132.53 9.15 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.235 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -9.11 20.62 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.47 1.774 . . . . 0.0 110.991 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -108.81 -48.37 3.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 m -79.47 -43.91 22.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.006 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 62' ' ' ASP . 2.5 mttp 67.92 28.61 6.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.8 mtp180 -126.89 56.96 1.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.272 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.6 m 63.64 131.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 110.037 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.419 ' HG2' ' N ' ' A' ' 62' ' ' ASP . 2.3 mtm180 -80.4 -18.3 49.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 98.1 14.89 37.69 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.798 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 1.8 p90 -160.78 154.14 21.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 0.782 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -161.7 -160.66 11.08 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.532 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 0.5 OUTLIER -127.94 148.92 50.52 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 0.774 . . . . 0.0 111.02 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.438 ' CG1' ' CD2' ' A' ' 44' ' ' LEU . 18.9 m -128.54 118.4 47.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 55' ' ' THR . 2.8 m -102.76 100.02 10.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 110.424 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.542 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 11.2 m-85 -68.99 168.97 12.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 111.028 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.21 -51.69 8.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 110.017 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.47 172.16 7.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.982 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.52 -21.87 35.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.16 -64.13 0.93 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -41.93 -62.46 0.91 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.542 ' HB ' ' CD2' ' A' ' 76' ' ' PHE . 6.4 p -48.97 -48.83 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.85 -32.61 45.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.85 -50.27 37.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.355 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -54.33 -48.4 71.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.325 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -48.2 -41.15 26.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 0.0 111.025 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -109.44 50.29 0.79 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.58 ' O ' ' CD2' ' A' ' 91' ' ' HIS . . . -131.91 30.08 4.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.479 ' CB ' ' HA ' ' A' ' 90' ' ' PRO . 4.2 mtm180 -89.45 161.15 40.49 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.339 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.479 ' HA ' ' CB ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -75.03 177.58 38.46 Favored 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 120.976 -2.51 . . . . 0.0 111.012 0.025 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.58 ' CD2' ' O ' ' A' ' 88' ' ' ALA . 22.1 m170 -124.57 132.5 53.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.601 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.9 p -121.2 116.42 24.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.985 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.569 HD13 ' CD2' ' A' ' 47' ' ' TYR . 5.3 mm -130.7 146.17 34.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 22.7 t70 59.28 16.28 4.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 78.94 24.25 62.29 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.453 1.095 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.402 ' HD2' ' O ' ' A' ' 34' ' ' GLY . 0.0 OUTLIER -132.45 159.93 37.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 0.78 . . . . 0.0 110.3 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 74.6 t -84.35 107.89 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.509 ' CG1' ' O ' ' A' ' 34' ' ' GLY . 1.1 m -92.88 -168.45 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -157.6 108.97 1.82 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.105 . . . . 0.0 110.271 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.446 ' HG3' ' ND1' ' A' ' 91' ' ' HIS . 18.4 Cg_endo -75.0 141.12 26.25 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.432 1.754 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -134.17 177.67 7.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.4 mtp85 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.572 ' HE2' ' CD1' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -86.06 114.86 23.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.419 ' CD2' HG21 ' A' ' 82' ' ' VAL . 1.1 mp -100.73 141.37 33.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.675 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 23.3 t80 -100.11 108.51 20.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 111.005 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.1 mm -87.05 129.43 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.5 128.03 6.0 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.464 1.102 . . . . 0.0 110.958 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.5 ' O ' ' CG1' ' A' ' 98' ' ' VAL . . . 102.41 68.83 0.81 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.403 HD23 ' C ' ' A' ' 34' ' ' GLY . 12.2 mt -107.7 0.89 22.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 0.763 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.537 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 2.0 t 63.28 10.5 4.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.984 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.537 ' CG ' ' C ' ' A' ' 36' ' ' SER . 3.1 m-85 74.62 -2.16 2.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 39' ' ' THR . 0.9 OUTLIER -94.83 -70.48 0.71 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 38' ' ' GLU . 0.9 OUTLIER -36.69 99.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.423 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 38' ' ' GLU . 37.6 p -78.63 -166.91 0.95 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 110.444 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -61.52 -55.04 35.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 45' ' ' ARG . 2.9 mt-10 -59.24 -63.75 1.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.1 m -39.77 -49.42 2.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 110.016 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.571 HD13 ' CE2' ' A' ' 48' ' ' TYR . 4.9 tp -59.83 -44.9 93.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.481 ' O ' ' N ' ' A' ' 49' ' ' GLU . 5.1 mtm180 -62.63 -58.18 8.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -42.35 -28.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.689 ' CD2' ' CD1' ' A' ' 93' ' ' ILE . 75.2 t80 -91.45 -47.4 7.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.571 ' CE2' HD13 ' A' ' 44' ' ' LEU . 20.5 m-85 -87.95 23.54 2.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 45' ' ' ARG . 1.8 mt-10 -99.52 -16.22 18.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -71.12 -61.13 1.88 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.657 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 13.6 m-90 -49.79 -45.3 49.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 107.98 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -170.78 170.43 43.15 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.55 1.156 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.15 120.65 29.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 0.77 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.426 ' O ' ' NH1' ' A' ' 45' ' ' ARG . 14.5 mt -77.28 116.04 17.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 75' ' ' THR . 33.9 p -74.01 -18.94 60.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.41 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -155.31 119.06 4.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 29.0 p -125.45 117.3 23.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 108.304 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.8 t -126.77 141.04 47.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 14.8 p -123.88 113.02 35.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.572 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 34.9 mmt -64.75 152.89 41.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.421 ' HA ' ' N ' ' A' ' 69' ' ' ARG . 33.9 mtt180 -140.1 159.18 42.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.467 ' CB ' ' HB2' ' A' ' 65' ' ' SER . 38.4 m-20 -67.06 128.08 93.72 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -20.66 16.53 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.479 1.778 . . . . 0.0 110.993 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -95.55 -43.26 8.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.467 ' HB2' ' CB ' ' A' ' 62' ' ' ASP . 0.3 OUTLIER -77.38 -44.87 27.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.007 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 76.32 32.57 0.58 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.4 mtt85 -115.08 -87.6 0.59 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.535 1.147 . . . . 0.0 110.26 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.69 149.36 20.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.0 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.421 ' N ' ' HA ' ' A' ' 61' ' ' ARG . 0.7 OUTLIER -91.52 -27.7 18.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.323 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.94 16.21 36.6 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.675 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 1.1 p90 -156.98 153.44 28.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 0.746 . . . . 0.0 110.962 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -160.6 -164.47 15.63 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.468 1.105 . . . . 0.0 110.988 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.572 ' CD1' ' HE2' ' A' ' 29' ' ' LYS . 4.5 m-85 -123.94 154.98 38.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 0.739 . . . . 0.0 111.025 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.477 ' CG1' ' CD2' ' A' ' 44' ' ' LEU . 18.1 m -144.28 108.07 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 55' ' ' THR . 3.2 m -94.58 106.74 18.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.385 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.528 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 24.5 m-85 -73.07 172.27 11.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.57 -34.32 27.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.005 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.56 171.9 10.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.03 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.468 ' HA ' ' CG1' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -88.1 -28.51 21.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.955 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.51 -63.81 1.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.432 ' OE1' ' CA ' ' A' ' 81' ' ' GLU . 0.5 OUTLIER -43.52 -61.91 1.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.085 . . . . 0.0 110.29 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.528 ' HB ' ' CD2' ' A' ' 76' ' ' PHE . 7.6 p -51.13 -47.36 32.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.15 -26.88 52.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.3 -61.1 1.89 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -42.66 -45.52 4.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.464 ' CE ' ' HB3' ' A' ' 102' ' ' ARG . 5.3 mtp -50.74 -50.51 55.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -96.93 50.32 1.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.432 1.083 . . . . 0.0 109.28 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -141.23 41.67 1.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.475 ' CZ ' ' HG3' ' A' ' 99' ' ' GLU . 5.7 mtp180 -92.1 156.67 41.93 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.463 ' C ' ' HA ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -75.0 -173.69 12.78 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 120.986 -2.506 . . . . 0.0 110.968 0.01 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.657 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 0.4 OUTLIER -128.53 112.69 14.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.597 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.459 ' O ' ' CE1' ' A' ' 47' ' ' TYR . 94.2 p -106.78 121.97 45.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.037 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.689 ' CD1' ' CD2' ' A' ' 47' ' ' TYR . 53.6 mt -133.1 125.21 51.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.8 t70 60.49 16.17 6.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.25 16.73 56.99 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.47 1.106 . . . . 0.0 110.976 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.491 ' HG3' ' CB ' ' A' ' 36' ' ' SER . 0.1 OUTLIER -109.73 140.51 43.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 0.779 . . . . 0.0 110.324 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 84.8 t -84.19 75.98 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.5 ' CG1' ' O ' ' A' ' 34' ' ' GLY . 2.5 m -72.9 160.39 5.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.475 ' HG3' ' CZ ' ' A' ' 89' ' ' ARG . 2.7 mt-10 -133.19 108.62 12.5 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.424 ' HG3' ' ND1' ' A' ' 91' ' ' HIS . 18.2 Cg_endo -74.96 150.34 38.21 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.529 1.805 . . . . 0.0 110.971 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp -135.4 145.62 47.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.464 ' HB3' ' CE ' ' A' ' 86' ' ' MET . 7.3 ptp180 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.3 tttt -93.4 114.68 27.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.4 HD13 ' CG2' ' A' ' 82' ' ' VAL . 8.3 mp -104.87 165.59 10.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.646 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 18.9 t80 -120.24 110.6 16.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 111.032 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.527 HD12 ' CE1' ' A' ' 48' ' ' TYR . 10.2 mm -82.87 126.03 40.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.36 118.35 2.78 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.407 ' O ' ' CG1' ' A' ' 98' ' ' VAL . . . 121.72 33.15 0.95 Allowed Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.528 ' CD1' ' N ' ' A' ' 35' ' ' LEU . 2.1 mp -76.67 -1.36 27.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 0.786 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.566 ' O ' ' CD2' ' A' ' 37' ' ' PHE . 3.3 t 57.7 15.38 2.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.097 . . . . 0.0 110.0 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.566 ' CD2' ' O ' ' A' ' 36' ' ' SER . 4.1 m-85 74.83 -2.26 2.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 40' ' ' THR . 0.8 OUTLIER -97.13 -67.93 0.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.456 ' CG2' ' HB2' ' A' ' 44' ' ' LEU . 1.0 OUTLIER -37.86 96.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.399 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 38' ' ' GLU . 33.2 p -78.67 -167.23 1.04 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 110.421 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.474 ' HG2' ' CG1' ' A' ' 59' ' ' VAL . 22.3 mt-10 -59.09 -54.57 45.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.345 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 43' ' ' SER . 6.2 tt0 -62.85 -64.82 0.8 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 42' ' ' GLU . 16.4 m -38.0 -48.17 1.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 109.953 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.48 ' CD1' HG23 ' A' ' 32' ' ' ILE . 4.7 tp -60.26 -53.08 61.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.477 ' O ' ' N ' ' A' ' 49' ' ' GLU . 80.5 mtm180 -57.59 -48.77 78.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.33 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -45.07 -28.42 0.71 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.148 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.691 ' CD2' ' CD1' ' A' ' 93' ' ' ILE . 65.1 t80 -94.38 -44.65 7.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.527 ' CE1' HD12 ' A' ' 32' ' ' ILE . 36.4 m-85 -86.94 22.14 2.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 45' ' ' ARG . 2.9 mt-10 -99.44 -31.87 11.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 0.0 110.311 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.41 ' HG2' ' N ' ' A' ' 51' ' ' TRP . 1.6 pt20 -64.82 -30.99 72.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.249 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.678 ' CZ3' ' CE1' ' A' ' 91' ' ' HIS . 8.3 m0 -79.8 -42.81 23.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 107.997 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.08 160.87 29.95 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.55 1.156 . . . . 0.0 111.002 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.12 116.35 22.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 0.799 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.8 mt -76.89 102.34 6.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.407 ' N ' ' O ' ' A' ' 75' ' ' THR . 26.1 p -64.52 -13.15 51.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.389 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -153.45 111.15 3.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 46.0 t -126.31 120.43 29.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 108.308 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 12.2 t -128.76 143.66 40.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.474 ' CG1' ' HG2' ' A' ' 41' ' ' GLU . 13.9 p -124.44 112.69 33.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.264 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.578 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 34.9 mmt -66.88 150.54 49.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.98 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.433 ' HA ' ' N ' ' A' ' 69' ' ' ARG . 20.0 mtt180 -140.34 128.2 21.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 110.263 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.496 ' CB ' ' HB2' ' A' ' 65' ' ' SER . 29.4 m-20 -40.15 120.16 1.52 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.16 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -18.24 18.72 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.47 1.774 . . . . 0.0 110.972 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -94.66 -46.67 6.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.496 ' HB2' ' CB ' ' A' ' 62' ' ' ASP . 4.0 m -80.46 -48.5 12.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.996 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 62' ' ' ASP . 0.7 OUTLIER 76.46 31.99 0.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 0.0 109.243 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 68' ' ' SER . 9.3 mtp-105 -129.35 49.69 2.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.262 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 67' ' ' ARG . 18.6 m 60.72 145.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 110.005 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.454 ' NE ' ' OD1' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -92.66 -28.95 16.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.291 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 98.34 21.72 16.61 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.646 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -160.94 151.63 18.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 0.788 . . . . 0.0 110.976 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -154.74 -160.44 9.87 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.486 1.117 . . . . 0.0 110.978 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -131.47 148.23 52.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.774 . . . . 0.0 110.981 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.415 HG21 ' CD1' ' A' ' 32' ' ' ILE . 21.8 m -130.25 120.88 50.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.255 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 55' ' ' THR . 6.9 m -107.04 98.13 7.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.367 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.549 ' CD1' ' HB ' ' A' ' 82' ' ' VAL . 65.2 m-85 -65.44 167.88 8.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 111.059 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.5 t -83.14 -46.82 12.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.3 p -115.05 164.23 14.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.043 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.18 -25.06 51.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.09 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.1 -65.58 0.66 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 109.261 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.443 ' O ' ' CB ' ' A' ' 84' ' ' ALA . 81.3 mt-10 -40.79 -62.48 0.79 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.549 ' HB ' ' CD1' ' A' ' 76' ' ' PHE . 7.6 p -48.75 -51.18 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.82 -27.67 13.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' A' ' 81' ' ' GLU . . . -68.87 -65.75 0.66 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.416 ' HB2' ' CE3' ' A' ' 51' ' ' TRP . . . -45.01 -42.85 8.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.2 mtp -52.15 -45.36 64.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 110.978 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -105.8 51.31 0.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -142.82 30.08 1.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.449 ' HA ' ' C ' ' A' ' 90' ' ' PRO . 2.3 mtm180 -84.54 159.18 59.02 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.469 1.106 . . . . 0.0 110.272 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.449 ' C ' ' HA ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -75.0 -178.6 23.95 Favored 'Cis proline' 0 C--N 1.361 1.184 0 C-N-CA 121.023 -2.49 . . . . 0.0 110.967 0.033 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.678 ' CE1' ' CZ3' ' A' ' 51' ' ' TRP . 8.0 m170 -118.47 118.83 32.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.601 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.601 ' O ' ' CE1' ' A' ' 47' ' ' TYR . 79.5 p -109.75 117.58 34.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.015 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.691 ' CD1' ' CD2' ' A' ' 47' ' ' TYR . 7.2 mt -137.24 134.22 47.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 57.03 25.74 11.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 74.43 23.44 75.52 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.57 1.169 . . . . 0.0 111.025 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.468 ' HG3' ' CB ' ' A' ' 36' ' ' SER . 0.0 OUTLIER -117.4 144.95 44.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 0.783 . . . . 0.0 110.333 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 83.6 t -86.37 74.77 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.407 ' CG1' ' O ' ' A' ' 34' ' ' GLY . 1.7 m -72.68 168.55 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.407 ' HB3' ' NH1' ' A' ' 89' ' ' ARG . 2.7 pt-20 -151.06 113.81 3.11 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.43 ' HG3' ' ND1' ' A' ' 91' ' ' HIS . 18.3 Cg_endo -75.06 162.94 36.17 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.532 1.806 . . . . 0.0 110.964 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -139.9 155.7 47.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.566 1.166 . . . . 0.0 110.321 179.998 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.454 ' HG3' ' CG2' ' A' ' 75' ' ' THR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.31 113.42 24.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.491 ' CD2' ' SD ' ' A' ' 86' ' ' MET . 6.1 mp -103.97 140.48 37.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.756 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 17.2 t80 -98.38 112.26 24.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 111.031 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.475 HD11 ' CZ ' ' A' ' 48' ' ' TYR . 9.5 mm -83.94 135.95 23.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.82 149.96 18.39 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.441 1.088 . . . . 0.0 111.022 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.412 ' C ' HD22 ' A' ' 35' ' ' LEU . . . 60.37 84.1 0.05 OUTLIER Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.046 -0.821 . . . . 0.0 111.046 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.451 HD23 ' CG2' ' A' ' 32' ' ' ILE . 7.3 mt -104.26 0.96 29.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 0.782 . . . . 0.0 109.261 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.554 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 0.5 OUTLIER 74.63 1.8 3.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.973 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.554 ' CG ' ' C ' ' A' ' 36' ' ' SER . 2.8 m-85 75.54 -2.3 2.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.1 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 39' ' ' THR . 52.9 mt-10 -108.14 -59.77 1.81 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 38' ' ' GLU . 1.8 m -36.44 100.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.389 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 69.8 p -78.06 -165.64 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.377 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -63.79 -51.0 66.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 110.323 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.449 ' C ' ' N ' ' A' ' 44' ' ' LEU . 49.2 tt0 -64.42 -64.46 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 42' ' ' GLU . 14.8 m -38.93 -30.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.032 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.449 ' N ' ' C ' ' A' ' 42' ' ' GLU . 11.0 tp -79.87 -62.43 1.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.472 ' O ' ' N ' ' A' ' 49' ' ' GLU . 4.3 mtp180 -50.23 -42.34 51.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.273 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -47.14 -30.31 2.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.351 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.572 ' CE2' HD12 ' A' ' 93' ' ' ILE . 83.3 t80 -94.05 -42.09 9.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 111.036 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.475 ' CZ ' HD11 ' A' ' 32' ' ' ILE . 37.4 m-85 -87.55 21.66 2.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.957 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 45' ' ' ARG . 2.1 mt-10 -99.0 -31.24 11.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.15 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.408 ' CD ' ' O ' ' A' ' 47' ' ' TYR . 1.1 pt20 -63.92 -34.99 79.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 110.344 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.65 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 5.6 m-90 -77.25 -45.77 25.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 107.986 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -171.81 160.88 32.83 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.141 . . . . 0.0 110.999 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.28 118.0 23.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.49 HD21 ' CE1' ' A' ' 76' ' ' PHE . 14.0 mt -74.8 99.32 3.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 75' ' ' THR . 69.9 p -45.52 -26.36 0.57 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.093 . . . . 0.0 110.433 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -160.87 132.23 5.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.34 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 6.4 t -128.46 131.76 48.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 108.322 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.416 HG13 ' N ' ' A' ' 59' ' ' VAL . 4.9 t -133.99 139.86 47.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.416 ' N ' HG13 ' A' ' 58' ' ' VAL . 10.3 p -122.99 112.55 34.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.57 ' HG3' ' CE1' ' A' ' 71' ' ' PHE . 32.3 mmt -65.8 153.45 41.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.408 ' HA ' ' N ' ' A' ' 69' ' ' ARG . 10.8 mtt180 -140.19 142.64 35.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 110.269 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -40.3 125.34 1.74 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 0.0 109.268 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -15.74 20.65 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.498 1.788 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -102.65 -43.4 5.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.7 -31.12 41.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 110.034 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.35 42.15 15.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.082 . . . . 0.0 109.256 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 45.6 mtt-85 -123.68 -79.25 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 110.275 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.2 p -159.44 144.01 15.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.998 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.408 ' N ' ' HA ' ' A' ' 61' ' ' ARG . 2.1 mtm180 -94.32 -40.39 9.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.31 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 109.14 19.52 8.45 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.458 1.098 . . . . 0.0 110.996 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.756 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 1.1 p90 -160.35 151.41 19.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 0.743 . . . . 0.0 111.012 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -155.67 -158.74 8.95 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.512 1.132 . . . . 0.0 111.042 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -131.77 151.72 51.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 0.749 . . . . 0.0 111.016 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.448 ' CG1' HD12 ' A' ' 54' ' ' LEU . 15.9 m -140.62 111.75 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.454 ' CG2' ' HG3' ' A' ' 28' ' ' ARG . 4.3 m -100.16 112.9 25.22 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.106 . . . . 0.0 110.387 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.49 ' CE1' HD21 ' A' ' 54' ' ' LEU . 25.0 m-85 -78.86 167.2 21.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 110.977 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.39 -39.97 18.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.023 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.2 t -115.55 156.66 25.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.027 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.418 ' HA ' ' CG1' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -82.75 -11.43 58.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 111.011 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -80.22 -46.0 17.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.127 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -60.44 -52.49 65.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.273 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.418 ' CG1' ' HA ' ' A' ' 79' ' ' MET . 7.4 p -53.57 -51.57 41.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.0 -32.21 20.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.64 -64.99 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -41.85 -47.66 4.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.26 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.491 ' SD ' ' CD2' ' A' ' 30' ' ' LEU . 93.0 mmm -49.76 -54.4 19.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 111.023 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -92.97 50.59 1.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -144.13 37.48 1.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.474 ' CB ' ' HA ' ' A' ' 90' ' ' PRO . 2.0 mtm180 -90.22 160.7 39.41 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.283 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.474 ' HA ' ' CB ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -75.02 -177.13 19.64 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.985 -2.506 . . . . 0.0 111.018 0.053 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.65 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 3.8 m170 -121.56 110.16 15.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.593 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.485 ' HA ' ' O ' ' A' ' 96' ' ' ARG . 94.1 p -101.56 126.2 48.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.967 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.572 HD12 ' CE2' ' A' ' 47' ' ' TYR . 10.7 mm -131.91 120.67 45.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.58 15.17 5.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 93.95 14.28 52.51 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.485 ' O ' ' HA ' ' A' ' 92' ' ' SER . 0.6 OUTLIER -105.98 139.74 40.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 0.761 . . . . 0.0 110.313 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 89.3 t -84.63 76.72 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.337 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 1.8 m -71.9 165.0 3.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 109.32 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -134.35 108.16 11.23 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.261 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.431 ' HG3' ' ND1' ' A' ' 91' ' ' HIS . 18.3 Cg_endo -75.02 157.57 42.61 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.55 1.816 . . . . 0.0 111.026 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -143.56 156.95 44.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.261 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.7 m -115.59 158.67 22.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 0.773 . . . . 0.0 109.985 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.29 161.87 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.957 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.93 144.17 3.85 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.547 1.155 . . . . 0.0 110.991 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.88 174.22 1.79 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 0.792 . . . . 0.0 109.969 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.0 p 176.68 161.28 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.011 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.43 177.98 48.53 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -173.26 97.52 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 0.779 . . . . 0.0 110.994 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -117.07 121.46 41.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.44 175.46 1.02 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.167 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.8 t -123.97 -43.03 2.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 110.393 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 66.02 171.64 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -158.83 147.24 18.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 16.4 m 56.19 103.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.45 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.0 m -106.7 137.24 19.42 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 141.29 26.52 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.465 1.771 . . . . 0.0 111.026 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.0 140.39 37.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -138.56 161.91 35.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.51 -28.8 3.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.586 1.179 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.464 ' O ' ' CB ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER 68.65 -88.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.464 ' CB ' ' O ' ' A' ' 20' ' ' LYS . 0.3 OUTLIER 85.54 157.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? 48.92 81.82 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -86.83 -41.92 13.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.346 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.72 -29.73 59.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.42 ' O ' ' CB ' ' A' ' 29' ' ' LYS . 19.5 tt0 -67.96 -64.93 0.76 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.306 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -58.02 -29.81 65.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.6 m-30 -61.4 -48.52 80.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.967 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.31 43.58 1.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 25' ' ' GLU . 0.9 OUTLIER -133.17 113.24 12.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.427 HD13 ' CG2' ' A' ' 82' ' ' VAL . 9.2 mp -106.24 138.79 41.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.799 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 16.4 t80 -96.62 112.37 24.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.951 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.507 HD11 ' CZ ' ' A' ' 48' ' ' TYR . 9.1 mm -84.41 128.06 39.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.85 134.32 11.0 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.523 1.14 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.96 74.16 1.11 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.469 HD21 ' CG2' ' A' ' 32' ' ' ILE . 6.1 mt -95.85 -4.76 43.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 0.793 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.531 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER 81.15 -7.77 1.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.993 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.608 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 0.5 OUTLIER 75.22 -2.17 2.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.4 ' CB ' ' OD2' ' A' ' 94' ' ' ASP . 0.5 OUTLIER -111.41 4.12 18.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 110.3 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.413 ' CG2' ' HB2' ' A' ' 44' ' ' LEU . 1.1 m -106.14 109.79 21.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 110.421 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 24.7 p -81.94 178.68 8.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.429 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -53.72 -52.75 59.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -62.41 -64.04 1.05 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 110.317 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.5 m -39.86 -37.35 0.55 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 110.01 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.413 ' HB2' ' CG2' ' A' ' 39' ' ' THR . 1.3 tp -72.64 -57.9 3.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.457 ' HG2' ' CD1' ' A' ' 54' ' ' LEU . 12.2 mtp180 -49.09 -43.52 41.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 110.265 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -47.89 -24.72 1.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.539 ' CD2' ' CD1' ' A' ' 93' ' ' ILE . 33.0 t80 -92.82 -47.69 6.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.507 ' CZ ' HD11 ' A' ' 32' ' ' ILE . 51.3 m-85 -89.1 24.42 2.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 45' ' ' ARG . 2.5 mt-10 -98.95 -18.47 17.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.305 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -72.92 -61.48 1.8 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 110.328 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.641 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 7.3 m-90 -49.99 -41.08 46.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 108.021 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.54 160.91 29.61 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.501 1.125 . . . . 0.0 110.958 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.56 124.62 30.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 0.74 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.457 ' CD1' ' HG2' ' A' ' 45' ' ' ARG . 20.4 mt -79.27 117.76 20.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 75' ' ' THR . 22.4 p -72.17 -18.07 61.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.374 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -160.32 123.01 3.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 26.2 p -128.09 119.04 24.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 108.288 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.0 t -120.78 139.03 49.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.7 p -124.37 113.58 37.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.574 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 34.1 mmt -67.75 141.75 56.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.2 mtm105 -119.78 143.75 47.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.472 ' CB ' ' HB2' ' A' ' 65' ' ' SER . 30.1 m-20 -42.21 125.96 2.77 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -10.27 21.2 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.483 1.781 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -110.91 -42.19 4.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.472 ' HB2' ' CB ' ' A' ' 62' ' ' ASP . 0.5 OUTLIER -81.49 -35.54 30.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.028 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 62' ' ' ASP . 2.2 mmtp 65.8 42.35 3.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.1 mmt85 -126.73 -77.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.319 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.5 m -155.81 133.07 10.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.024 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.23 -35.81 23.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 103.43 19.18 12.73 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.482 1.114 . . . . 0.0 111.031 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.799 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -160.12 148.22 16.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 0.744 . . . . 0.0 110.99 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -156.85 -157.57 8.43 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.494 1.121 . . . . 0.0 111.025 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -132.27 143.69 50.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.457 HG21 ' CD1' ' A' ' 32' ' ' ILE . 3.7 m -124.84 115.53 44.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 55' ' ' THR . 2.5 m -102.06 104.88 15.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 110.4 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.535 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 13.4 m-85 -70.48 171.04 10.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.2 t -84.71 -39.97 17.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.01 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.95 164.44 19.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 0.0 110.01 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.47 -14.33 58.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.97 -58.19 3.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.257 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -48.22 -57.87 5.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.535 ' HB ' ' CD2' ' A' ' 76' ' ' PHE . 7.5 p -50.04 -45.74 23.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.352 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.41 -38.55 69.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.28 -40.11 86.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.24 -34.61 76.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -62.86 -41.7 99.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -98.76 49.75 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.577 ' O ' ' CD2' ' A' ' 91' ' ' HIS . . . -141.61 52.29 1.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.452 ' HA ' ' C ' ' A' ' 90' ' ' PRO . 12.6 mtm105 -109.63 158.38 34.92 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.334 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.452 ' C ' ' HA ' ' A' ' 89' ' ' ARG . 18.1 Cg_endo -75.04 -172.3 10.6 Favored 'Cis proline' 0 C--N 1.361 1.191 0 C-N-CA 120.968 -2.513 . . . . 0.0 110.965 0.018 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.641 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 4.2 m170 -125.87 124.45 40.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.582 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.0 p -118.17 117.22 28.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.067 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.539 ' CD1' ' CD2' ' A' ' 47' ' ' TYR . 15.0 mt -136.91 145.1 30.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.4 ' OD2' ' CB ' ' A' ' 38' ' ' GLU . 5.2 t0 63.26 13.42 6.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.15 17.5 69.32 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.496 1.123 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.463 ' CD ' HG12 ' A' ' 98' ' ' VAL . 0.0 OUTLIER -125.25 161.36 27.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 0.759 . . . . 0.0 110.249 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 60.1 t -91.41 111.81 24.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.463 HG12 ' CD ' ' A' ' 96' ' ' ARG . 1.1 m -99.22 -172.82 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -158.43 109.31 1.67 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.263 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 161.52 38.55 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.487 1.783 . . . . 0.0 111.032 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.87 155.77 45.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.51 ' O ' ' CB ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -62.82 -30.08 71.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 110.286 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 102' ' ' ARG . . . 84.83 -49.7 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 26.9 m -42.91 144.71 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 42.19 90.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.66 149.93 43.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.3 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.94 122.34 4.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -137.33 91.49 2.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.287 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.87 145.41 7.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.01 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -150.71 -161.28 9.87 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 30.9 p -173.91 151.01 1.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 0.794 . . . . 0.0 109.938 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 72.09 115.12 0.05 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 132.8 15.76 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.472 1.775 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.93 109.12 15.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.97 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.45 143.36 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.027 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.446 1.091 . . . . 0.0 110.993 179.977 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 m -160.28 170.7 20.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 0.774 . . . . 0.0 110.018 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.8 p -166.14 170.56 13.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.979 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.36 144.43 4.0 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.6 t -171.33 155.67 4.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 0.774 . . . . 0.0 110.018 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.06 157.63 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.988 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.15 120.53 2.35 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.496 1.122 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -174.66 89.47 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 0.765 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -140.77 170.25 16.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.75 178.27 4.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.3 t -147.68 152.24 37.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 110.341 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.01 176.28 5.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -109.64 145.75 35.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.251 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.4 t -173.68 158.51 3.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 110.387 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.2 m -83.18 148.34 56.01 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 69.62 5.49 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.467 1.772 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -174.95 109.0 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -178.5 124.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.272 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.61 158.66 25.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -139.91 -66.98 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.7 ptpp? -91.47 -38.78 12.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 174.19 140.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.27 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.8 -8.54 58.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.407 ' HD3' ' NH1' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -90.34 -20.0 23.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.366 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -80.77 -60.99 2.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -49.01 -34.16 12.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.291 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -59.11 -46.72 87.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.407 ' NH1' ' HD3' ' A' ' 24' ' ' LYS . 1.2 mpp_? -107.34 44.1 1.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.335 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.476 ' C ' ' CD1' ' A' ' 30' ' ' LEU . 0.4 OUTLIER -140.88 119.23 12.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.517 ' N ' ' CD1' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -116.44 148.4 40.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.796 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 14.1 t80 -96.75 105.27 17.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.967 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.473 ' CG1' HG23 ' A' ' 74' ' ' VAL . 7.9 mm -79.35 131.48 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.11 136.87 9.82 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.466 1.104 . . . . 0.0 111.034 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 70' ' ' GLY . . . 83.88 68.29 1.42 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.467 HD22 ' CG2' ' A' ' 32' ' ' ILE . 4.6 mt -95.58 -1.77 49.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 0.769 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.559 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER 79.97 -1.35 2.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.985 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.559 ' CG ' ' C ' ' A' ' 36' ' ' SER . 2.4 m-85 75.7 -2.35 2.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 40' ' ' THR . 0.1 OUTLIER -105.1 -62.32 1.36 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.474 ' CG2' ' HB2' ' A' ' 44' ' ' LEU . 0.9 OUTLIER -39.05 97.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.362 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.438 ' N ' ' O ' ' A' ' 38' ' ' GLU . 73.1 p -73.95 -173.62 1.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.363 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -53.38 -54.63 33.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.322 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 45' ' ' ARG . 5.7 tt0 -61.68 -63.49 1.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.265 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.9 m -43.06 -31.55 0.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.012 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.474 ' HB2' ' CG2' ' A' ' 39' ' ' THR . 0.9 OUTLIER -79.64 -43.92 21.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.338 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 42' ' ' GLU . 26.8 mtm180 -63.13 -48.17 79.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -47.89 -24.54 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.421 1.076 . . . . 0.0 109.321 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.536 ' CE1' ' O ' ' A' ' 92' ' ' SER . 26.8 t80 -88.26 -52.79 5.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.961 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -89.1 28.19 1.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 45' ' ' ARG . 2.0 mt-10 -99.31 -19.64 16.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.098 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -72.0 -61.22 1.86 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.278 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.638 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 6.2 m-90 -50.15 -43.4 52.08 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -174.6 157.87 25.61 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 0.0 111.034 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.84 121.96 25.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 0.787 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 37.4 mt -73.71 109.49 7.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 75' ' ' THR . 16.5 p -71.86 -15.27 62.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.387 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -158.97 111.15 2.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.412 ' O ' ' SG ' ' A' ' 57' ' ' CYS . 14.1 p -128.27 125.6 39.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 108.315 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.4 t -130.82 141.57 45.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.6 p -119.81 114.17 43.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.583 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 33.8 mmt -69.18 146.65 52.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.402 ' HA ' ' N ' ' A' ' 69' ' ' ARG . 64.6 mtt180 -128.34 134.94 48.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.286 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.462 ' CB ' ' HB2' ' A' ' 65' ' ' SER . 10.4 m-20 -40.75 130.86 1.85 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -8.3 19.91 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.508 1.793 . . . . 0.0 111.032 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -113.13 -40.35 3.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.462 ' HB2' ' CB ' ' A' ' 62' ' ' ASP . 0.6 OUTLIER -85.67 -37.07 19.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.945 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER 59.06 26.95 15.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 68' ' ' SER . 20.5 mtt180 -128.17 61.5 1.45 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 110.305 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 67' ' ' ARG . 15.5 m 61.44 129.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 110.001 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.402 ' N ' ' HA ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -86.03 -36.31 19.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 34' ' ' GLY . . . 113.68 17.36 7.53 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.426 1.079 . . . . 0.0 110.975 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.796 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -159.38 148.41 18.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 0.775 . . . . 0.0 110.988 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -155.75 -163.34 12.1 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -125.24 146.11 49.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 0.745 . . . . 0.0 111.03 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.473 HG23 ' CG1' ' A' ' 32' ' ' ILE . 18.9 m -131.6 120.59 45.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 55' ' ' THR . 1.7 m -112.78 111.57 22.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.386 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -78.55 172.92 12.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.22 -46.36 11.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.98 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.5 m -111.54 155.75 22.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.984 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.476 ' HA ' ' CG1' ' A' ' 82' ' ' VAL . 34.0 tpp -79.25 -11.69 59.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.983 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.89 -51.96 11.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 84' ' ' ALA . 7.9 mm-40 -56.25 -56.26 23.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 110.286 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.476 ' CG1' ' HA ' ' A' ' 79' ' ' MET . 7.4 p -48.33 -48.28 13.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.73 -27.41 59.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 81' ' ' GLU . . . -76.76 -58.54 3.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -51.62 -42.28 61.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -54.05 -48.36 70.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -101.18 48.65 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.503 ' O ' ' CD2' ' A' ' 91' ' ' HIS . . . -130.71 41.11 3.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.489 ' CB ' ' HA ' ' A' ' 90' ' ' PRO . 4.9 mtm180 -91.3 161.14 35.59 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.246 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.489 ' HA ' ' CB ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -74.99 178.85 32.87 Favored 'Cis proline' 0 C--N 1.36 1.14 0 C-N-CA 121.021 -2.491 . . . . 0.0 111.003 -0.027 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.638 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 8.4 m170 -128.2 120.22 26.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.551 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.536 ' O ' ' CE1' ' A' ' 47' ' ' TYR . 14.5 p -115.34 119.21 35.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.038 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.528 HG12 ' CE1' ' A' ' 47' ' ' TYR . 16.3 mt -134.99 147.74 29.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.571 1.169 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.441 ' OD2' ' N ' ' A' ' 39' ' ' THR . 0.4 OUTLIER 62.65 14.27 7.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 88.18 -4.85 85.37 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.451 ' NH2' ' OE2' ' A' ' 99' ' ' GLU . 7.2 ptm180 -105.3 168.36 9.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 0.792 . . . . 0.0 110.275 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 61.0 t -97.54 104.41 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 1.2 m -85.45 -175.1 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.137 . . . . 0.0 109.339 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.451 ' OE2' ' NH2' ' A' ' 96' ' ' ARG . 2.0 pm0 -158.77 109.97 1.61 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.169 . . . . 0.0 110.277 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.51 ' O ' ' CD ' ' A' ' 101' ' ' LYS . 18.2 Cg_endo -75.07 158.92 41.68 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.486 1.782 . . . . 0.0 110.971 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.51 ' CD ' ' O ' ' A' ' 100' ' ' PRO . 0.1 OUTLIER -143.49 168.89 18.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -92.39 127.13 37.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -94.03 55.3 2.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 29.9 m -129.38 153.57 38.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 109.269 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 106' ' ' ARG . . . 73.47 -74.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 105' ' ' ALA . 1.0 OUTLIER -38.87 150.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.297 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 65.72 79.61 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.28 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -92.32 -59.25 2.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.327 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.57 105.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 110.011 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -98.52 -84.21 1.76 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.477 1.111 . . . . 0.0 110.986 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 42.47 89.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 0.78 . . . . 0.0 110.005 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -131.01 108.61 0.83 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.507 1.129 . . . . 0.0 110.989 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 86.7 1.39 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.459 1.768 . . . . 0.0 111.008 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.41 148.82 0.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.985 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.4 96.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 110.028 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.533 1.146 . . . . 0.0 110.98 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.7 p 58.56 112.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.742 . . . . 0.0 110.045 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 m -156.5 158.13 36.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.997 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.99 156.91 15.34 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.494 1.121 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m -163.48 147.63 10.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 0.759 . . . . 0.0 110.02 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -120.88 135.63 55.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.035 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.9 99.76 0.26 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.529 1.143 . . . . 0.0 110.978 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -107.43 104.99 14.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 0.761 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -175.81 128.0 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 110.314 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.5 -50.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.6 m -97.33 152.87 18.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.384 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -172.14 79.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.92 119.76 9.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.171 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.34 145.29 51.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.365 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.5 m -145.58 152.98 50.6 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.234 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 177.06 9.11 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.488 1.783 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.4 mp -101.78 -64.48 1.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -178.56 -69.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.81 122.56 1.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.274 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -111.68 150.15 30.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.087 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.51 139.78 48.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 45.95 73.27 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -92.22 -20.11 21.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.1 -4.57 59.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 29' ' ' LYS . 1.0 OUTLIER -95.17 -65.02 1.0 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.441 ' HB2' ' CG2' ' A' ' 104' ' ' VAL . 0.0 OUTLIER -53.44 -19.88 4.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.25 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -77.48 -42.24 36.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -113.46 25.48 11.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.26 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -111.35 118.11 34.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.492 ' CD1' ' CG2' ' A' ' 82' ' ' VAL . 8.4 mp -107.61 124.02 49.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.785 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 9.6 t80 -86.87 109.65 19.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.474 ' CG2' HD22 ' A' ' 35' ' ' LEU . 6.3 mm -84.47 133.82 28.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.66 134.89 10.19 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.512 1.132 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 70' ' ' GLY . . . 79.48 76.01 0.99 Allowed Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.474 HD22 ' CG2' ' A' ' 32' ' ' ILE . 3.7 mt -98.45 2.34 47.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 0.769 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.551 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 78.03 0.34 2.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.032 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.551 ' CG ' ' C ' ' A' ' 36' ' ' SER . 1.9 m-85 75.67 -2.33 2.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 39' ' ' THR . 0.1 OUTLIER -106.12 -64.93 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 110.33 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 38' ' ' GLU . 0.9 OUTLIER -37.66 99.5 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 0.0 110.428 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.4 ' N ' ' O ' ' A' ' 38' ' ' GLU . 60.3 p -77.34 -164.79 0.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.435 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -61.18 -54.24 46.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.083 . . . . 0.0 110.306 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 45' ' ' ARG . 3.2 mt-10 -59.68 -66.58 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.271 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.8 m -40.14 -33.31 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.994 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.47 ' CD2' ' CG1' ' A' ' 74' ' ' VAL . 9.2 tp -70.94 -51.14 27.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.5 OUTLIER -58.39 -52.54 65.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.311 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -43.16 -27.7 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.6 ' CE1' ' O ' ' A' ' 92' ' ' SER . 40.1 t80 -92.59 -46.46 7.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 111.047 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.439 ' CB ' HD13 ' A' ' 54' ' ' LEU . 21.4 m-85 -88.59 23.83 2.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.585 1.178 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 45' ' ' ARG . 2.1 mt-10 -99.48 -27.99 13.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.407 ' CD ' ' O ' ' A' ' 47' ' ' TYR . 1.9 pt20 -70.94 -14.24 62.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 110.302 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.643 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 8.9 m0 -98.17 -35.54 10.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 108.019 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 175.06 162.5 26.57 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.44 1.088 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.78 124.55 29.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.776 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.439 HD13 ' CB ' ' A' ' 48' ' ' TYR . 24.1 mt -82.64 109.93 17.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 17.8 p -74.84 -9.34 58.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 0.0 110.426 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -160.51 112.78 1.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.087 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 24.6 p -126.59 119.04 26.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 108.291 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.4 t -128.45 139.64 51.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 14.7 p -124.38 114.66 41.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.577 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 34.9 mmt -67.27 147.39 53.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 0.0 111.008 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 41.1 mtt180 -126.41 142.68 51.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 110.29 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 66' ' ' LYS . 2.8 t70 -49.6 128.77 19.11 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -13.69 21.39 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.44 1.758 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -105.13 -40.37 5.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.81 -34.65 26.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.019 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER 61.11 40.15 15.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -125.3 -74.81 0.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.323 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.6 t -164.45 132.79 3.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 110.042 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.49 -43.89 22.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 34' ' ' GLY . . . 113.93 19.3 6.47 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.545 1.153 . . . . 0.0 110.976 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.785 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 0.4 OUTLIER -158.03 147.99 20.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 0.803 . . . . 0.0 111.044 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -155.56 -158.75 8.94 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 4.1 m-85 -131.6 145.11 51.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 0.78 . . . . 0.0 110.966 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.47 ' CG1' ' CD2' ' A' ' 44' ' ' LEU . 17.0 m -131.33 111.79 20.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.6 m -100.75 111.67 23.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.374 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.492 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 36.8 m-85 -77.41 170.06 17.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.977 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 t -81.16 -46.48 14.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.993 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.64 157.36 24.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.006 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.83 -16.82 61.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 111.049 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.72 -58.71 3.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 84' ' ' ALA . 1.0 OUTLIER -46.83 -59.61 2.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.333 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.492 ' CG2' ' CD1' ' A' ' 30' ' ' LEU . 6.6 p -47.61 -48.87 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -53.23 -34.68 58.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 87' ' ' ALA . . . -62.4 -61.56 2.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -44.07 -42.17 6.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.137 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.2 mtp -57.3 -40.81 78.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . -102.55 46.61 0.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.422 ' O ' ' CD2' ' A' ' 91' ' ' HIS . . . -142.86 41.13 1.54 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.102 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.489 ' CB ' ' HA ' ' A' ' 90' ' ' PRO . 14.6 mtm180 -96.0 160.92 28.94 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.489 ' HA ' ' CB ' ' A' ' 89' ' ' ARG . 18.2 Cg_endo -75.08 -173.15 11.83 Favored 'Cis proline' 0 C--N 1.359 1.13 0 C-N-CA 121.008 -2.497 . . . . 0.0 110.942 0.038 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.643 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 17.0 m170 -123.89 123.52 40.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.591 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.6 ' O ' ' CE1' ' A' ' 47' ' ' TYR . 6.2 p -119.54 116.97 27.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.049 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.593 ' CD1' ' CD2' ' A' ' 47' ' ' TYR . 15.5 mt -137.09 145.94 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 64.48 12.51 7.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.73 19.8 65.01 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.563 1.165 . . . . 0.0 111.002 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.478 ' CZ ' ' HB2' ' A' ' 96' ' ' ARG . 0.0 OUTLIER -130.31 157.26 43.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 0.742 . . . . 0.0 110.299 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 40.5 t -85.51 113.25 23.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 1.5 m -97.45 -172.77 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.0 108.98 2.11 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 159.41 41.38 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.463 1.77 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -138.48 137.78 37.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.491 ' O ' ' CB ' ' A' ' 103' ' ' ALA . 3.3 ttt180 -56.84 -17.24 8.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.132 . . . . 0.0 110.336 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 102' ' ' ARG . . . 82.88 -52.37 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 0.0 109.266 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.441 ' CG2' ' HB2' ' A' ' 26' ' ' GLN . 23.1 t -116.94 156.01 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.436 ' CB ' ' O ' ' A' ' 104' ' ' VAL . . . 79.64 116.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 4.7 ttt-85 64.81 59.73 0.89 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.461 1.101 . . . . 0.0 110.274 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.92 175.82 13.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 110.34 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -157.24 124.33 5.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.165 . . . . 0.0 110.274 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 24.0 p 179.16 141.72 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.01 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 90.81 166.65 41.02 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.458 1.099 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 72.9 p -172.36 135.53 0.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 0.772 . . . . 0.0 110.023 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -123.65 -123.55 2.81 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.463 1.102 . . . . 0.0 111.028 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 152.94 41.18 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.525 1.803 . . . . 0.0 110.95 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.6 t -110.74 -58.85 2.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 1.163 . . . . 0.0 110.018 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 60.8 m -93.36 80.14 4.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.928 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 O-C-N 124.468 1.105 . . . . 0.0 111.027 179.962 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.21 151.29 3.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 110.005 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.6 t 65.5 152.39 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.971 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.24 161.28 34.3 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.85 166.19 5.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 0.766 . . . . 0.0 110.03 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.39 -59.8 1.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.015 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.76 114.22 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.548 1.155 . . . . 0.0 111.021 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.6 mtm -97.66 169.65 9.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.767 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -131.95 92.97 3.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.294 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -173.79 81.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 35.2 p -127.52 59.94 1.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.433 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 mp 57.03 172.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -108.83 174.7 5.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.575 ' O ' ' CG2' ' A' ' 15' ' ' VAL . 9.4 t -100.06 52.79 0.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.404 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.575 ' CG2' ' O ' ' A' ' 14' ' ' THR . 3.1 m 55.79 159.85 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -47.17 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.47 1.774 . . . . 0.0 111.001 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -165.52 149.22 8.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.573 1.171 . . . . 0.0 109.31 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 179.14 140.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.325 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 64.05 85.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 110.313 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.98 167.91 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -94.27 140.38 29.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.344 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.35 -41.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.489 ' O ' ' CD1' ' A' ' 27' ' ' PHE . 10.0 mt-10 -69.87 -47.16 63.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -21.31 62.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -76.78 -58.09 3.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.267 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -70.75 -8.69 54.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 110.275 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.489 ' CD1' ' O ' ' A' ' 23' ' ' GLU . 2.2 m-30 -81.27 -44.49 17.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 71.6 mtt180 -95.87 -10.09 29.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.347 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.4 ' O ' ' CB ' ' A' ' 103' ' ' ALA . 0.8 OUTLIER -86.47 113.78 22.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.419 ' CD1' ' CG2' ' A' ' 82' ' ' VAL . 6.8 mp -106.41 134.24 49.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.798 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 25.0 t80 -96.42 108.86 21.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.494 HD13 ' CZ ' ' A' ' 48' ' ' TYR . 9.3 mm -82.42 123.7 38.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.32 135.12 12.59 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.506 1.129 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.501 ' O ' ' CG1' ' A' ' 98' ' ' VAL . . . 81.74 80.94 0.89 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.489 HD22 ' CG2' ' A' ' 32' ' ' ILE . 3.0 mt -106.98 3.25 25.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.75 . . . . 0.0 109.337 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.577 ' O ' ' CD2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 74.69 1.31 3.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.995 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.577 ' CD2' ' O ' ' A' ' 36' ' ' SER . 4.2 m-85 75.2 -2.21 2.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 40' ' ' THR . 1.5 mt-10 -106.03 -64.51 1.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.289 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 38' ' ' GLU . 0.9 OUTLIER -37.8 97.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.367 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.434 ' N ' ' O ' ' A' ' 38' ' ' GLU . 18.3 p -72.7 -166.98 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.374 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -60.69 -54.25 47.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.428 ' C ' ' N ' ' A' ' 44' ' ' LEU . 4.7 tt0 -61.71 -62.41 1.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.0 m -40.52 -29.48 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.964 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.428 ' N ' ' C ' ' A' ' 42' ' ' GLU . 14.6 tp -77.58 -61.64 1.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -46.34 -48.73 18.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.334 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.3 t30 -47.54 -25.5 1.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.566 ' CE2' HG12 ' A' ' 93' ' ' ILE . 23.4 t80 -93.98 -45.4 7.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.494 ' CZ ' HD13 ' A' ' 32' ' ' ILE . 27.1 m-85 -88.77 22.73 2.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 45' ' ' ARG . 2.9 mt-10 -99.01 -14.18 19.57 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 110.26 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.408 ' CD ' ' O ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -83.51 -8.28 59.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.335 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.491 ' CH2' ' CD2' ' A' ' 91' ' ' HIS . 6.5 m0 -103.44 -37.8 7.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 107.995 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 179.3 160.13 24.55 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.81 114.61 18.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 0.777 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 20.3 mt -72.01 125.49 27.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 69.7 p -82.38 -14.37 55.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.377 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -160.96 120.7 2.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 8.0 t -127.93 119.36 25.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 108.332 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.3 t -127.14 140.91 47.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.4 p -124.1 112.86 34.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.571 ' HG3' ' CE1' ' A' ' 71' ' ' PHE . 33.0 mmt -68.67 148.31 50.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.425 ' HA ' ' N ' ' A' ' 69' ' ' ARG . 10.1 mtt180 -140.03 127.24 21.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 110.29 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 66' ' ' LYS . 57.3 m-20 -40.88 122.4 1.9 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -21.08 16.27 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.515 1.798 . . . . 0.0 111.023 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -93.36 -43.54 8.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.52 -48.03 13.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.992 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER 73.59 28.79 1.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 55.9 mtt180 -128.06 48.71 2.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.2 m 60.58 146.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 110.003 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.57 ' HD3' ' CE2' ' A' ' 71' ' ' PHE . 3.1 mtt180 -92.2 -37.28 12.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.266 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' GLY . . . 107.59 20.85 8.24 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.523 1.139 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.798 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 1.3 p90 -160.25 151.61 19.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 0.735 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -156.27 -161.01 10.39 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.52 1.137 . . . . 0.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -131.36 147.15 52.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 0.773 . . . . 0.0 111.029 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.468 HG22 ' CD1' ' A' ' 32' ' ' ILE . 30.8 m -135.13 110.96 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 109.237 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 21.0 m -97.91 104.34 16.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.358 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.508 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 30.0 m-85 -69.28 169.94 11.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.73 -46.42 12.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 109.983 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.65 170.61 8.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.029 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.439 ' O ' ' CG1' ' A' ' 82' ' ' VAL . 6.1 tpt -81.29 -28.36 34.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.34 -64.66 0.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.347 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -41.11 -60.12 1.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.508 ' HB ' ' CD2' ' A' ' 76' ' ' PHE . 7.4 p -53.3 -45.65 56.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.24 -27.91 56.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.351 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.88 -48.83 34.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -55.25 -39.85 70.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.435 ' CE ' ' HG3' ' A' ' 102' ' ' ARG . 1.2 mtp -56.86 -41.14 77.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -112.22 40.11 2.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -110.99 -19.12 12.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.44 ' HA ' ' C ' ' A' ' 90' ' ' PRO . 3.5 mtm180 -46.18 159.15 0.34 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.323 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.44 ' C ' ' HA ' ' A' ' 89' ' ' ARG . 18.5 Cg_endo -75.01 -176.99 19.23 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 120.983 -2.507 . . . . 0.0 111.007 -0.008 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.491 ' CD2' ' CH2' ' A' ' 51' ' ' TRP . 32.8 m170 -140.71 128.77 22.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.604 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.3 p -119.19 111.08 17.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.057 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.566 HG12 ' CE2' ' A' ' 47' ' ' TYR . 19.3 mt -127.4 137.09 58.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.4 t70 68.35 9.75 7.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.084 . . . . 0.0 109.305 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 94.3 -8.07 72.24 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.504 1.127 . . . . 0.0 111.028 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.476 ' HD2' ' CB ' ' A' ' 36' ' ' SER . 0.3 OUTLIER -105.7 160.71 15.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 0.745 . . . . 0.0 110.282 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 43.1 t -89.77 116.73 31.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.501 ' CG1' ' O ' ' A' ' 34' ' ' GLY . 8.4 m -93.46 -179.3 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.36 108.94 2.05 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 156.89 42.97 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.472 1.775 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.9 mmtm -134.23 150.5 51.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.435 ' HG3' ' CE ' ' A' ' 86' ' ' MET . 10.0 mtt180 -58.83 -29.12 66.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 102' ' ' ARG . . . 78.21 38.5 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.438 ' O ' ' CB ' ' A' ' 105' ' ' ALA . 31.3 m -107.46 -44.75 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.438 ' CB ' ' O ' ' A' ' 104' ' ' VAL . . . 166.91 -82.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.73 -178.89 6.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -100.51 100.13 10.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.088 . . . . 0.0 110.255 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -171.44 -64.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.293 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.4 m 63.42 92.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.982 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -75.72 170.41 54.61 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.437 1.085 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 66.9 m -97.22 129.47 44.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 0.766 . . . . 0.0 109.991 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -46.88 127.99 11.17 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -44.16 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.5 1.789 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 40.3 t -52.26 110.36 0.48 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 1.132 . . . . 0.0 109.999 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.2 m -115.03 83.63 1.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.037 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 -179.954 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.0 p -169.88 110.27 0.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 0.746 . . . . 0.0 109.959 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -177.94 127.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.564 1.165 . . . . 0.0 109.992 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.6 139.94 4.29 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.548 1.155 . . . . 0.0 110.986 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.47 117.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 110.031 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.18 147.7 30.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.963 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.39 -167.53 12.51 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.451 1.094 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.4 mtt -143.13 153.97 43.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 0.779 . . . . 0.0 110.998 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -157.5 91.06 1.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -155.87 126.29 6.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.107 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.6 m 62.77 123.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 110.393 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.76 117.99 30.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.67 106.76 13.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.279 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.0 t -168.85 149.62 4.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.369 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.0 m -55.96 153.58 16.97 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 171.92 17.38 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.564 1.823 . . . . 0.0 110.95 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -171.33 144.79 2.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -158.04 143.47 16.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.334 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 49.81 94.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.25 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.1 -68.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.328 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.71 153.37 0.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.84 155.68 18.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.447 ' O ' ' CD1' ' A' ' 27' ' ' PHE . 0.8 OUTLIER -60.68 -54.51 44.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.43 -17.97 63.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.476 ' O ' ' CB ' ' A' ' 29' ' ' LYS . 7.6 tt0 -78.96 -57.57 3.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 110.324 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -66.27 -9.68 34.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.447 ' CD1' ' O ' ' A' ' 23' ' ' GLU . 2.1 m-30 -77.51 -45.27 26.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.7 mtm-85 -111.89 22.65 14.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.26 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.476 ' CB ' ' O ' ' A' ' 25' ' ' GLU . 0.1 OUTLIER -113.84 118.92 35.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.441 HD13 ' CG2' ' A' ' 82' ' ' VAL . 9.0 mp -111.43 160.2 17.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.1 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.794 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 19.2 t80 -122.41 109.97 15.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.477 ' CD1' HG21 ' A' ' 74' ' ' VAL . 5.4 mm -82.5 132.91 30.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.43 114.73 2.21 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.446 1.091 . . . . 0.0 110.991 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.5 ' O ' ' CG1' ' A' ' 98' ' ' VAL . . . 111.7 70.02 0.58 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 37' ' ' PHE . 4.0 mt -106.68 8.92 31.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.599 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 1.1 t 66.83 -73.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.988 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 36' ' ' SER . 0.3 OUTLIER 161.98 -25.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 110.996 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -99.22 30.1 3.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.573 1.171 . . . . 0.0 110.277 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.1 m -113.88 112.3 23.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.377 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 38.2 p -92.99 165.37 12.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.396 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -47.99 -53.86 14.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.251 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -54.31 -62.17 1.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 m -39.39 -57.01 1.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.998 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.411 HD21 ' CG1' ' A' ' 74' ' ' VAL . 0.9 OUTLIER -56.57 -48.45 77.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.25 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 49' ' ' GLU . 43.5 mtp180 -55.52 -57.28 12.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -42.11 -29.01 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.564 ' CD2' HD12 ' A' ' 93' ' ' ILE . 11.6 t80 -87.6 -52.81 5.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 111.018 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.413 ' CB ' HD12 ' A' ' 54' ' ' LEU . 32.1 m-85 -89.62 31.66 0.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 111.054 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 45' ' ' ARG . 1.0 OUTLIER -98.23 -30.49 12.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.32 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.414 ' CG ' ' N ' ' A' ' 51' ' ' TRP . 21.6 pt20 -67.54 -53.46 28.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.611 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 6.4 m0 -54.96 -21.34 11.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 107.967 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 164.16 163.31 16.84 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.514 1.133 . . . . 0.0 110.976 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.83 111.06 20.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 0.776 . . . . 0.0 109.259 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.465 HD11 ' CG1' ' A' ' 74' ' ' VAL . 21.0 mt -67.58 99.59 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 75' ' ' THR . 72.2 p -52.93 -23.46 7.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.425 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -161.17 129.26 4.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 48.8 t -127.5 118.86 24.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 108.323 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.1 t -118.1 134.78 60.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.8 p -124.09 114.11 39.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.579 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 34.6 mmt -67.31 143.72 56.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.424 ' HA ' ' N ' ' A' ' 69' ' ' ARG . 31.1 mtm180 -133.77 149.18 51.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.45 ' CB ' ' HB2' ' A' ' 65' ' ' SER . 66.1 m-20 -41.54 133.75 2.14 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 -10.77 21.3 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.485 1.782 . . . . 0.0 110.974 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -112.64 -41.64 3.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.45 ' HB2' ' CB ' ' A' ' 62' ' ' ASP . 0.3 OUTLIER -81.0 -36.67 30.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.007 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 61.9 32.22 17.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 16.6 mtt85 -105.35 -67.4 0.92 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.596 ' O ' ' CE1' ' A' ' 37' ' ' PHE . 46.2 t -169.47 148.42 3.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.528 1.143 . . . . 0.0 110.027 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.424 ' N ' ' HA ' ' A' ' 61' ' ' ARG . 0.2 OUTLIER -98.46 -39.79 8.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.262 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 113.59 11.83 12.5 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.494 1.121 . . . . 0.0 110.986 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.794 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 1.8 p90 -157.8 152.95 25.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -161.03 -157.79 8.95 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.46 1.1 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.477 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 1.3 m-85 -135.1 151.97 51.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 0.761 . . . . 0.0 111.017 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.477 HG21 ' CD1' ' A' ' 32' ' ' ILE . 15.7 m -135.07 112.25 14.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 55' ' ' THR . 2.6 m -96.54 103.62 15.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.377 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.469 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 15.9 m-85 -68.6 -175.57 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.3 t -94.18 -52.69 4.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.988 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 69.5 m -118.88 168.91 10.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.958 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.48 ' O ' ' CG1' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -69.43 -42.53 74.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.52 1.137 . . . . 0.0 110.961 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.05 -61.35 2.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -43.19 -64.41 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.249 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.48 ' CG1' ' O ' ' A' ' 79' ' ' MET . 7.5 p -53.6 -33.88 23.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 79' ' ' MET . 0.3 OUTLIER -61.38 -36.16 79.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.25 -53.48 29.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -50.45 -35.99 31.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.77 -29.19 69.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.968 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -123.93 39.31 4.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.43 ' HB2' ' CE2' ' A' ' 51' ' ' TRP . . . -109.76 -21.55 12.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.486 ' CB ' ' HA ' ' A' ' 90' ' ' PRO . 3.3 mtm105 -46.6 160.97 0.3 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.486 ' HA ' ' CB ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -74.97 177.1 40.53 Favored 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 121.006 -2.498 . . . . 0.0 111.008 -0.049 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.611 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 39.7 m170 -138.98 133.1 31.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.639 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.3 p -119.06 121.14 39.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.03 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.564 HD12 ' CD2' ' A' ' 47' ' ' TYR . 9.7 mm -129.41 138.33 54.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.4 t0 64.88 12.14 7.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 86.25 18.6 58.83 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.483 1.114 . . . . 0.0 110.963 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.452 ' CG ' ' O ' ' A' ' 93' ' ' ILE . 0.4 OUTLIER -126.68 154.02 44.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 0.749 . . . . 0.0 110.316 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 13.0 t -82.06 104.56 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.5 ' CG1' ' O ' ' A' ' 34' ' ' GLY . 2.1 m -86.49 -179.92 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -154.45 109.28 2.4 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 160.08 40.55 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.509 1.794 . . . . 0.0 110.976 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -136.42 163.53 30.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.484 ' O ' ' CB ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -67.9 -41.1 83.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.303 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.484 ' CB ' ' O ' ' A' ' 102' ' ' ARG . . . 83.13 40.35 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 31.7 m -118.5 174.8 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 62.61 135.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.6 ptt180 -42.54 139.75 1.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -165.45 144.64 6.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -45.22 149.77 0.48 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 24.2 p -156.74 154.33 29.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.115 . . . . 0.0 110.013 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -92.67 174.26 36.05 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.519 1.137 . . . . 0.0 110.978 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 31.9 t 62.44 118.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 0.741 . . . . 0.0 110.02 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 149.99 97.2 0.17 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 62.79 5.99 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.453 1.765 . . . . 0.0 110.963 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.76 122.89 27.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.999 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 50.3 m 64.28 162.39 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.016 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.9 t -170.88 107.08 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 0.798 . . . . 0.0 110.028 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.44 144.0 1.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.995 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.79 65.78 0.55 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.435 1.084 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.44 103.89 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 0.765 . . . . 0.0 109.97 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.75 86.99 4.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.013 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 38.92 88.15 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -74.24 -174.8 2.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 0.766 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -177.54 -38.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.58 1.175 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.3 tttm -83.75 66.64 9.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.8 t -139.59 61.4 1.55 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 0.0 110.427 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -171.13 67.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.9 mp0 -110.07 158.66 18.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 110.313 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.6 m 54.33 104.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 110.436 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 32.0 m -67.66 157.17 87.03 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 129.32 12.19 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.535 1.808 . . . . 0.0 110.993 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.31 153.25 49.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.18 144.04 50.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 110.301 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -150.8 143.96 24.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.259 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -100.26 84.97 2.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.276 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.8 mmtp -84.76 172.62 11.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.343 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -109.15 139.2 44.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.54 -49.57 31.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.31 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -66.85 -15.53 63.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -93.07 -53.95 3.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.345 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -65.32 -11.3 40.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.3 m-30 -78.29 -44.37 25.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.2 mtm-85 -96.67 -12.94 23.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.297 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.14 117.32 26.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.8 mp -111.22 165.7 11.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.799 ' CZ ' ' CD2' ' A' ' 71' ' ' PHE . 45.4 t80 -114.57 103.58 11.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.984 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.429 ' CG2' HD22 ' A' ' 35' ' ' LEU . 6.7 mm -78.69 130.76 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.248 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.25 138.56 11.35 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.531 1.145 . . . . 0.0 110.974 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.79 67.81 1.34 Allowed Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 37' ' ' PHE . 10.4 mt -103.42 9.14 37.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 0.749 . . . . 0.0 109.325 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.592 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 1.3 t 66.46 -69.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.595 ' CD1' ' O ' ' A' ' 68' ' ' SER . 0.3 OUTLIER 162.05 -25.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 111.0 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 40' ' ' THR . 1.6 mp0 -89.42 -45.69 9.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.262 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 38' ' ' GLU . 1.8 m -37.75 96.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 110.399 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 38' ' ' GLU . 72.8 p -83.33 178.16 8.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.42 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -53.22 -50.37 64.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.269 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -63.07 -62.56 1.63 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.273 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.8 m -39.3 -47.55 1.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.019 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.445 HD21 ' CG1' ' A' ' 74' ' ' VAL . 2.2 tp -61.13 -65.08 0.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.464 ' HG2' ' CD1' ' A' ' 54' ' ' LEU . 8.1 mtp180 -46.61 -47.28 19.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.283 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -47.01 -25.15 0.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.403 ' N ' ' C ' ' A' ' 45' ' ' ARG . 27.8 t80 -93.55 -47.35 6.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -89.92 26.06 1.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.976 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 45' ' ' ARG . 3.5 mt-10 -99.07 -13.67 19.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.277 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -76.26 -61.17 2.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 110.313 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.627 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 9.1 m-90 -50.66 -37.07 38.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 108.005 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -178.33 165.34 34.59 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.533 1.145 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.21 118.09 27.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 0.752 . . . . 0.0 109.349 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.464 ' CD1' ' HG2' ' A' ' 45' ' ' ARG . 12.5 mt -75.29 99.66 4.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.44 ' N ' ' O ' ' A' ' 75' ' ' THR . 61.4 p -46.76 -25.86 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.435 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -159.39 126.72 4.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.426 ' CB ' ' HG3' ' A' ' 45' ' ' ARG . 28.8 p -128.08 117.55 21.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 108.294 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.4 t -115.64 142.31 29.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.336 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.3 p -124.06 121.89 63.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.572 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 36.3 mmt -73.93 136.47 43.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -134.72 138.24 44.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.293 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.53 134.97 13.18 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -21.55 15.87 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.477 1.777 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -99.38 -47.96 4.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.256 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.91 -37.1 72.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.47 1.106 . . . . 0.0 109.999 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 75.9 19.25 1.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.341 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.1 mtt-85 -121.21 148.33 44.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.298 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.595 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 66.8 m -42.32 129.1 3.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.993 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.09 -28.11 67.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 117.1 11.94 8.68 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.556 1.16 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.799 ' CD2' ' CZ ' ' A' ' 31' ' ' PHE . 9.3 p90 -158.28 154.41 27.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -158.42 -162.71 12.07 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.498 1.124 . . . . 0.0 111.059 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -128.61 149.55 50.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 110.99 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.445 ' CG1' HD21 ' A' ' 44' ' ' LEU . 12.3 m -135.73 123.33 35.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 55' ' ' THR . 2.4 m -110.24 99.85 8.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.421 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.477 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 19.6 m-85 -65.73 175.34 1.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 111.039 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.1 t -86.41 -48.64 8.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.101 . . . . 0.0 109.992 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.91 -179.69 3.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.991 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.465 ' O ' ' CG1' ' A' ' 82' ' ' VAL . 0.6 OUTLIER -88.23 -31.88 18.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 111.019 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.76 -62.13 2.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -43.61 -62.51 1.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.294 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.477 ' HB ' ' CD2' ' A' ' 76' ' ' PHE . 7.3 p -50.31 -35.37 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.16 -34.65 78.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.359 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.27 -37.99 68.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.97 -34.16 76.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.459 ' CE ' ' HG3' ' A' ' 102' ' ' ARG . 0.7 OUTLIER -65.59 -34.2 77.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -114.7 51.98 0.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.549 ' O ' ' CD2' ' A' ' 91' ' ' HIS . . . -138.64 50.73 1.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.454 ' CB ' ' HA ' ' A' ' 90' ' ' PRO . 5.3 mtm105 -111.59 160.06 30.87 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.347 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.454 ' HA ' ' CB ' ' A' ' 89' ' ' ARG . 18.2 Cg_endo -75.04 -168.91 6.88 Favored 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 121.003 -2.499 . . . . 0.0 110.965 0.029 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.627 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 5.0 m170 -132.87 139.86 47.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 109.578 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.3 p -125.31 111.4 15.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.996 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.479 ' O ' ' CG ' ' A' ' 96' ' ' ARG . 9.9 mt -137.21 150.33 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.469 ' OD2' ' CB ' ' A' ' 36' ' ' SER . 41.5 t0 57.96 28.52 16.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 66.59 19.99 69.56 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.485 ' CZ ' ' HB2' ' A' ' 96' ' ' ARG . 0.1 OUTLIER -128.31 168.21 15.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 0.76 . . . . 0.0 110.339 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 60.5 t -97.06 103.98 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.401 HG22 ' CB ' ' A' ' 91' ' ' HIS . 1.4 m -89.86 -174.39 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -158.67 109.53 1.63 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.258 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.437 ' HD2' ' CD ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -74.99 150.33 38.06 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.485 1.782 . . . . 0.0 111.035 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt -141.43 178.64 7.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.459 ' HG3' ' CE ' ' A' ' 86' ' ' MET . 1.5 ttt180 -107.06 157.4 17.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.407 ' C ' ' CG2' ' A' ' 104' ' ' VAL . . . -103.91 56.67 0.73 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.127 . . . . 0.0 109.33 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.407 ' CG2' ' C ' ' A' ' 103' ' ' ALA . 0.4 OUTLIER -148.92 162.91 4.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 76.22 -67.38 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.482 ' O ' ' C ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -58.4 -53.47 58.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.081 . . . . 0.0 110.289 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.482 ' C ' ' O ' ' A' ' 106' ' ' ARG . 1.7 pt-20 32.04 58.58 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -109.5 -176.9 3.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.355 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 13.8 t 54.56 89.65 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.024 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -163.83 75.16 0.17 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.445 1.091 . . . . 0.0 111.003 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 99.4 p -126.37 113.7 17.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 0.79 . . . . 0.0 109.975 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -102.69 158.14 17.95 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.47 1.106 . . . . 0.0 110.979 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 134.48 17.96 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.548 1.815 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.23 -58.79 2.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.006 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.57 101.8 5.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.034 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.952 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -120.62 147.38 45.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 0.774 . . . . 0.0 110.013 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.9 146.52 0.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.092 . . . . 0.0 110.016 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.66 168.26 41.35 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.47 1.106 . . . . 0.0 110.978 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.2 171.03 2.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 0.741 . . . . 0.0 109.969 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.02 169.63 0.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 110.025 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.43 136.16 3.91 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.565 1.166 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -140.71 174.41 10.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 0.748 . . . . 0.0 110.995 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -160.63 162.41 32.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.345 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.49 157.92 4.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.3 t -157.89 147.19 19.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 110.394 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -132.32 133.75 44.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -146.31 112.14 5.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.271 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.7 p -88.33 178.14 6.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.367 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.5 m -47.87 120.51 7.84 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 104.06 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.535 1.808 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -85.54 -66.99 0.84 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 61.03 121.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 169.7 89.27 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 110.285 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.13 111.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.425 1.078 . . . . 0.0 109.271 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.29 177.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.25 162.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.68 -37.24 12.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.07 -24.23 65.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 29' ' ' LYS . 1.9 tp10 -75.2 -59.12 2.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.273 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -59.79 -24.42 64.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.312 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.5 m-30 -70.15 -37.01 75.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 110.98 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.7 mtm105 -99.57 -13.84 19.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 25' ' ' GLU . 0.3 OUTLIER -91.47 116.67 29.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.2 mp -110.49 146.12 36.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.36 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.642 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 30.2 t80 -98.32 103.6 15.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.974 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.416 ' CD1' HG23 ' A' ' 74' ' ' VAL . 3.9 mm -82.17 133.91 28.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.29 131.65 6.65 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.509 1.131 . . . . 0.0 111.017 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.511 ' O ' ' CG1' ' A' ' 98' ' ' VAL . . . 100.61 57.92 0.86 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.9 mt -99.41 9.31 43.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 0.762 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.587 ' O ' ' CG ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 74.11 -72.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.021 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.587 ' CG ' ' O ' ' A' ' 36' ' ' SER . 0.2 OUTLIER 164.34 -28.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.991 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 40' ' ' THR . 2.0 tt0 -87.97 -55.39 3.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.253 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 38' ' ' GLU . 1.1 m -36.9 98.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.116 . . . . 0.0 110.416 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 38' ' ' GLU . 80.7 p -81.63 -166.81 1.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.394 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -59.44 -55.34 35.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 43' ' ' SER . 2.2 mt-10 -57.35 -66.29 0.48 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 110.324 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 42' ' ' GLU . 3.3 m -38.58 -38.85 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.5 tp -74.6 -59.93 2.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -46.15 -46.17 17.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 110.309 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -46.83 -25.56 0.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.571 ' CD2' HD13 ' A' ' 93' ' ' ILE . 9.8 t80 -91.71 -47.33 7.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -88.55 23.28 2.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 45' ' ' ARG . 1.1 mt-10 -98.81 -18.78 17.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -73.24 -60.64 2.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.351 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.635 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 7.3 m-90 -50.09 -36.34 29.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 107.988 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 179.97 155.81 16.36 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.506 1.129 . . . . 0.0 110.945 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.08 119.77 21.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.8 mt -75.62 125.87 29.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 34.5 p -86.11 -27.77 24.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.39 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -143.65 113.08 6.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 11.7 t -127.96 121.87 30.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 0.0 108.317 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.7 t -124.05 139.72 49.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.9 p -124.43 108.98 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.365 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.579 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 34.3 mmt -57.76 149.25 22.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.427 ' HA ' ' N ' ' A' ' 69' ' ' ARG . 2.0 mtm-85 -135.65 123.9 23.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.423 ' N ' ' HG3' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -40.99 124.2 2.0 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -25.6 11.64 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.52 1.8 . . . . 0.0 110.956 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -90.14 -49.18 6.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.6 m -72.09 -48.14 46.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 110.011 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 75.29 20.99 1.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.4 mtt85 -126.57 58.34 1.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.32 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.7 m 60.32 148.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.137 . . . . 0.0 109.966 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.563 ' HD3' ' CE2' ' A' ' 71' ' ' PHE . 3.4 mtt180 -91.93 -45.71 8.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.345 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 117.69 12.22 8.07 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.642 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 1.3 p90 -158.29 155.62 29.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 0.763 . . . . 0.0 110.978 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -164.85 -160.7 12.59 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -124.16 151.67 43.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.416 HG23 ' CD1' ' A' ' 32' ' ' ILE . 6.7 m -132.65 119.39 38.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.3 m -111.26 109.37 19.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.411 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.413 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 28.7 m-85 -73.16 -178.21 2.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.984 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.45 -44.41 10.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.998 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.55 176.32 5.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.01 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.45 ' O ' ' CG1' ' A' ' 82' ' ' VAL . 3.6 tpt -85.09 -30.17 24.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.435 ' O ' ' CB ' ' A' ' 83' ' ' ASP . . . -60.68 -62.34 1.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -43.03 -61.81 1.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.45 ' CG1' ' O ' ' A' ' 79' ' ' MET . 7.6 p -50.45 -32.72 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.435 ' CB ' ' O ' ' A' ' 80' ' ' ALA . 2.7 t0 -65.85 -35.1 79.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.14 -45.8 72.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.2 -48.04 81.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.456 ' CE ' ' HG3' ' A' ' 102' ' ' ARG . 0.6 OUTLIER -50.12 -38.72 40.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -109.16 48.51 0.86 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.58 ' O ' ' CD2' ' A' ' 91' ' ' HIS . . . -136.59 46.35 2.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.473 ' CB ' ' HA ' ' A' ' 90' ' ' PRO . 4.1 mtm105 -106.25 160.88 24.64 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.323 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.473 ' HA ' ' CB ' ' A' ' 89' ' ' ARG . 18.4 Cg_endo -74.96 -174.91 14.95 Favored 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 121.004 -2.498 . . . . 0.0 110.998 0.013 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.635 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 7.1 m170 -127.13 126.3 42.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.603 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.4 p -115.88 112.88 22.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.971 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.571 HD13 ' CD2' ' A' ' 47' ' ' TYR . 5.4 mt -137.13 149.98 26.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.2 t70 64.51 12.55 7.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 85.12 1.25 88.61 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.553 1.158 . . . . 0.0 111.041 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.443 ' NH1' ' HB2' ' A' ' 96' ' ' ARG . 0.0 OUTLIER -115.71 162.4 17.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 0.731 . . . . 0.0 110.271 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 58.4 t -88.34 107.21 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.511 ' CG1' ' O ' ' A' ' 34' ' ' GLY . 1.6 m -88.03 -170.53 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.426 ' N ' HG23 ' A' ' 98' ' ' VAL . 3.6 pt-20 -158.25 109.44 1.71 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.153 . . . . 0.0 110.32 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 149.33 36.62 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.536 1.808 . . . . 0.0 110.995 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 25.7 mmtt -137.63 169.96 16.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.456 ' HG3' ' CE ' ' A' ' 86' ' ' MET . 5.8 mtp180 -102.7 141.18 35.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.28 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.422 ' CB ' ' HD3' ' A' ' 29' ' ' LYS . . . -91.22 41.46 1.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -142.86 159.39 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 71.21 98.86 0.07 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 15.4 ttt180 -132.63 124.57 28.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.71 164.02 22.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.273 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.05 151.14 22.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.272 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.4 -58.13 1.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.999 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 112.71 127.47 4.78 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.5 m -119.88 153.14 36.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 0.742 . . . . 0.0 110.013 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -159.53 100.12 0.19 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.536 1.147 . . . . 0.0 110.967 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 114.89 4.13 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.538 1.809 . . . . 0.0 110.972 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 29.3 t -105.01 164.61 11.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 110.041 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.0 m -175.66 150.77 1.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.142 . . . . 0.0 110.026 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.9 147.33 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 0.785 . . . . 0.0 109.978 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.2 p -178.85 160.06 1.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.032 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.39 139.18 2.9 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.538 1.149 . . . . 0.0 110.966 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 p -175.99 116.32 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 0.735 . . . . 0.0 109.991 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 t -162.92 129.75 3.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.058 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.39 -164.79 10.92 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.523 1.139 . . . . 0.0 111.004 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.7 ptt? -178.82 124.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 0.759 . . . . 0.0 111.032 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -128.47 99.14 5.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.098 . . . . 0.0 110.303 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -116.02 -69.8 0.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 50.5 m 57.11 74.31 0.42 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 110.418 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.6 107.83 16.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.36 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.1 76.42 1.69 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.2 t -44.46 160.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.422 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 26.6 m -119.96 119.43 31.03 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.262 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 164.71 32.86 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.489 1.784 . . . . 0.0 111.02 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.3 tp -40.43 -67.01 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.256 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -174.56 145.26 0.93 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.137 . . . . 0.0 110.292 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.03 133.67 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.33 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -102.26 -70.96 0.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? 73.69 -72.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -163.66 94.99 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.344 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.535 ' O ' ' CD1' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -92.71 -43.19 9.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.328 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.94 -24.76 67.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -77.96 -63.97 1.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.248 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -57.88 -19.23 27.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.319 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.535 ' CD1' ' O ' ' A' ' 23' ' ' GLU . 2.3 m-30 -69.51 -39.65 77.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.9 mtt-85 -121.04 36.66 4.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.321 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -127.68 112.65 15.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.465 HD13 ' CG2' ' A' ' 82' ' ' VAL . 6.8 mp -104.26 141.8 35.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.62 ' CE2' ' CD1' ' A' ' 71' ' ' PHE . 29.4 t80 -102.61 108.66 20.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.479 ' CD1' HG21 ' A' ' 74' ' ' VAL . 6.5 mm -81.37 131.2 34.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.243 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.89 130.23 8.17 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 70' ' ' GLY . . . 81.62 76.26 1.08 Allowed Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.484 ' O ' ' CB ' ' A' ' 36' ' ' SER . 6.7 mt -97.0 -3.52 41.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 0.787 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.571 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 0.3 OUTLIER 83.82 -9.89 0.97 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.971 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.571 ' CG ' ' C ' ' A' ' 36' ' ' SER . 1.8 m-85 75.21 -2.35 2.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -113.98 4.71 15.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.3 m -102.24 108.91 20.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.415 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 35.2 p -77.81 158.47 29.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 110.407 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.469 ' CG ' HG11 ' A' ' 59' ' ' VAL . 85.8 mt-10 -40.44 -54.13 2.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 110.311 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 43' ' ' SER . 3.7 tt0 -56.8 -60.8 3.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 110.301 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 42' ' ' GLU . 0.6 OUTLIER -38.76 -53.54 1.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.981 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.449 ' CD2' ' CG1' ' A' ' 74' ' ' VAL . 1.9 tp -57.23 -50.97 71.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 49' ' ' GLU . 8.8 mtm180 -52.63 -56.03 18.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 110.319 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.4 t30 -39.83 -29.95 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.57 ' CE2' HD12 ' A' ' 93' ' ' ILE . 13.5 t80 -90.82 -44.67 9.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 111.022 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.433 ' CE1' HD11 ' A' ' 44' ' ' LEU . 35.5 m-85 -89.22 24.47 2.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 111.03 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 45' ' ' ARG . 0.5 OUTLIER -99.11 -31.81 11.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -63.23 -51.81 64.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.625 ' CZ2' ' NE2' ' A' ' 91' ' ' HIS . 5.2 m-90 -54.63 -41.27 69.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.122 . . . . 0.0 108.026 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.02 167.18 39.2 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.492 1.12 . . . . 0.0 111.048 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -85.94 116.97 24.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 0.781 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.454 HD12 ' CG ' ' A' ' 45' ' ' ARG . 30.8 mt -72.3 131.58 42.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.344 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 30.5 p -95.6 -15.44 22.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.397 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -159.08 118.16 2.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.45 ' SG ' ' NE ' ' A' ' 45' ' ' ARG . 6.2 p -125.7 121.65 34.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 108.316 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.2 t -130.7 138.62 53.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.469 HG11 ' CG ' ' A' ' 41' ' ' GLU . 7.3 p -124.46 115.78 45.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.573 ' HG3' ' CE1' ' A' ' 71' ' ' PHE . 36.6 mmt -68.17 136.27 53.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 111.037 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 62' ' ' ASP . 7.1 mtp180 -133.96 128.49 34.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.353 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 67' ' ' ARG . 0.4 OUTLIER -39.92 129.34 1.56 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -32.62 5.26 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.491 1.785 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -87.17 -46.32 9.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.36 -36.92 68.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.993 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 74.86 23.53 1.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 62' ' ' ASP . 6.2 mtp180 -122.11 154.61 37.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 0.0 110.341 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 18.8 m -58.96 124.78 21.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.022 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -65.18 -24.58 67.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.318 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' GLY . . . 100.07 25.13 9.16 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.62 ' CD1' ' CE2' ' A' ' 31' ' ' PHE . 2.1 p90 -160.34 148.8 16.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 0.761 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -159.77 -158.41 9.15 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.541 1.151 . . . . 0.0 110.974 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -131.39 145.78 51.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.762 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.479 HG21 ' CD1' ' A' ' 32' ' ' ILE . 26.4 m -131.13 108.75 15.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.9 m -96.94 108.99 21.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.402 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.466 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 21.6 m-85 -73.51 -176.16 2.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.55 -32.25 10.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.034 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.6 t -123.29 170.8 9.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.02 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.43 ' HA ' ' CG1' ' A' ' 82' ' ' VAL . 0.1 OUTLIER -85.8 -33.29 21.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 111.005 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.13 -60.33 3.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 83.6 mt-10 -44.84 -60.67 1.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.466 ' HB ' ' CD2' ' A' ' 76' ' ' PHE . 7.5 p -52.88 -44.63 49.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.5 -31.3 61.92 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.406 ' O ' ' CB ' ' A' ' 88' ' ' ALA . . . -68.25 -52.15 37.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.426 1.079 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -51.01 -35.77 35.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 93.1 mmm -64.24 -58.07 7.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -92.18 37.03 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.407 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . . . -112.39 -31.93 6.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.47 ' CB ' ' HA ' ' A' ' 90' ' ' PRO . 0.3 OUTLIER -40.26 160.75 0.11 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.327 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.594 ' O ' ' CD2' ' A' ' 91' ' ' HIS . 18.3 Cg_endo -75.03 -179.29 26.17 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 121.008 -2.497 . . . . 0.0 110.96 0.032 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.625 ' NE2' ' CZ2' ' A' ' 51' ' ' TRP . 32.8 m170 -145.82 147.81 32.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.644 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.7 m -132.39 134.86 45.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.961 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.57 HD12 ' CE2' ' A' ' 47' ' ' TYR . 10.6 mm -133.14 133.43 58.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.9 t70 69.78 7.59 6.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.092 . . . . 0.0 109.246 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 100.94 -9.96 58.44 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.49 1.118 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.495 ' CZ ' ' HB2' ' A' ' 96' ' ' ARG . 0.0 OUTLIER -94.33 162.67 13.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 0.0 110.287 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 17.3 t -95.32 112.98 28.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 1.9 m -94.03 -179.0 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -155.53 108.58 2.2 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.411 ' HD2' ' NE ' ' A' ' 89' ' ' ARG . 18.1 Cg_endo -75.02 161.88 37.99 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.492 1.785 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt -139.94 155.66 47.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.081 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.496 ' O ' ' CB ' ' A' ' 103' ' ' ALA . 3.4 ttt180 -61.16 -36.08 78.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 102' ' ' ARG . . . 83.72 -6.18 1.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.338 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.5 t -99.39 150.86 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 64.23 108.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.56 -71.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -51.13 160.32 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.327 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -150.03 153.34 36.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.333 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 77.8 p -107.49 131.38 54.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 110.041 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -96.22 -68.53 0.99 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.2 155.58 44.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 0.759 . . . . 0.0 110.069 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -121.87 156.0 16.69 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.499 1.124 . . . . 0.0 111.02 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 150.29 38.21 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.506 1.793 . . . . 0.0 111.038 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.69 128.28 49.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.98 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.5 m -83.68 103.47 13.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.975 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.128 . . . . 0.0 111.002 179.97 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.37 153.62 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 0.0 109.989 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.6 p -165.6 162.72 19.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.996 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.76 117.47 1.14 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.491 1.12 . . . . 0.0 111.008 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.9 p 179.64 150.26 0.34 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 0.764 . . . . 0.0 110.03 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.8 171.81 1.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.05 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.96 133.51 6.36 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.12 . . . . 0.0 110.987 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -170.72 143.35 2.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 0.728 . . . . 0.0 110.983 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -150.59 -72.81 0.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.315 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.64 166.06 0.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 109.243 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.44 ' CG2' ' O ' ' A' ' 11' ' ' THR . 3.2 m 60.41 54.05 4.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 110.386 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.2 mt -126.48 157.11 39.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 61.2 148.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.4 m -130.04 129.26 43.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 110.448 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.3 m -93.67 153.59 41.15 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 140.65 25.66 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.508 1.794 . . . . 0.0 110.985 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.3 mp -103.59 159.16 15.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 109.279 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -166.67 134.98 2.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 31.8 ptt180 -68.41 145.13 54.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.0 mmtm -125.81 133.35 52.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.31 174.97 7.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.9 mmt180 66.61 131.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.313 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -95.77 -51.34 4.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.79 -33.35 64.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 29' ' ' LYS . 23.9 tt0 -66.85 -64.97 0.74 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -55.38 -18.03 5.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 110.289 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -75.02 -37.59 61.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 111.029 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.453 ' NH2' ' O ' ' A' ' 76' ' ' PHE . 10.9 mtp-105 -107.55 -2.13 20.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -97.13 118.15 32.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.27 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.496 ' CD2' ' SD ' ' A' ' 86' ' ' MET . 6.9 mp -106.6 149.73 26.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.801 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 6.9 t80 -111.29 112.23 23.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.515 HD11 ' CZ ' ' A' ' 48' ' ' TYR . 8.3 mm -84.67 133.64 28.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.68 130.13 7.77 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.517 1.135 . . . . 0.0 111.015 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.2 74.98 1.26 Allowed Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.47 ' O ' ' HB3' ' A' ' 36' ' ' SER . 2.9 mt -98.76 1.0 45.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 0.78 . . . . 0.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.525 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 0.2 OUTLIER 72.38 -3.33 2.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 110.038 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.525 ' CG ' ' C ' ' A' ' 36' ' ' SER . 0.8 OUTLIER 71.87 -0.96 3.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 111.042 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.404 ' C ' ' OD2' ' A' ' 94' ' ' ASP . 0.0 OUTLIER -115.35 19.51 15.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.316 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.23 106.71 12.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.377 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 41.6 p -78.66 168.8 19.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.404 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -45.63 -55.16 6.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.278 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 45' ' ' ARG . 0.3 OUTLIER -59.6 -59.44 5.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.264 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.2 m -43.11 -31.27 0.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 109.994 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.45 ' CD2' ' SG ' ' A' ' 57' ' ' CYS . 0.8 OUTLIER -82.62 -42.09 18.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 42' ' ' GLU . 8.3 mtm-85 -61.08 -45.61 94.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 0.0 110.275 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 29.4 t30 -52.22 -21.81 3.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.246 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.658 ' CD2' ' CD1' ' A' ' 93' ' ' ILE . 27.7 t80 -93.45 -43.67 8.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.982 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.515 ' CZ ' HD11 ' A' ' 32' ' ' ILE . 24.2 m-85 -93.1 22.75 4.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 111.044 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 45' ' ' ARG . 3.1 mt-10 -98.9 -23.53 15.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.507 1.129 . . . . 0.0 110.33 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -72.24 -36.32 69.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.66 ' CH2' ' CE1' ' A' ' 91' ' ' HIS . 6.5 m0 -74.38 -45.54 46.24 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -169.02 165.66 39.09 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.07 110.18 19.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 0.794 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 18.2 mt -69.78 112.48 6.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 75' ' ' THR . 40.0 p -55.38 -32.72 62.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 110.416 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -160.79 138.63 9.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.45 ' SG ' ' CD2' ' A' ' 44' ' ' LEU . 32.2 t -128.48 123.77 34.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 108.325 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.9 t -119.66 136.55 56.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 14.7 p -124.6 119.46 56.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.565 ' HG3' ' CE1' ' A' ' 71' ' ' PHE . 33.4 mmt -71.82 135.47 46.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -133.28 126.36 31.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.335 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 66' ' ' LYS . 1.6 t0 -41.14 124.52 2.09 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.259 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -21.12 16.21 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.465 1.771 . . . . 0.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -95.94 -46.42 6.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.78 -32.69 57.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.997 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 62' ' ' ASP . 0.3 OUTLIER 75.47 15.69 2.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -113.99 145.22 41.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.7 t -46.18 133.06 9.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.02 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -27.16 66.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.334 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 102.12 16.37 23.43 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.801 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 1.3 p90 -159.18 147.11 17.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 0.749 . . . . 0.0 110.961 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -153.06 -159.82 9.3 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.478 1.111 . . . . 0.0 110.972 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.447 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 1.6 m-85 -133.93 151.24 51.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 111.056 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 26.7 m -135.28 122.54 36.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 55' ' ' THR . 5.6 m -104.98 104.94 14.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 110.38 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.562 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 27.2 m-85 -68.88 169.5 11.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.977 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.25 -34.26 17.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.961 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.3 m -127.83 171.87 11.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.01 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.442 ' HA ' ' CG1' ' A' ' 82' ' ' VAL . 1.3 tpt -83.28 -26.76 30.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.138 . . . . 0.0 110.991 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.21 -60.6 3.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -45.76 -61.25 1.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.34 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.562 ' HB ' ' CD2' ' A' ' 76' ' ' PHE . 7.6 p -51.29 -47.2 34.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.31 -21.9 38.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.23 -65.69 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.356 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -40.3 -47.68 2.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.496 ' SD ' ' CD2' ' A' ' 30' ' ' LEU . 95.0 mmm -51.13 -54.82 21.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -92.75 51.08 1.66 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.52 ' O ' ' CD2' ' A' ' 91' ' ' HIS . . . -141.88 40.3 1.67 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.477 ' CB ' ' HA ' ' A' ' 90' ' ' PRO . 26.2 mtm-85 -95.4 161.02 29.27 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.27 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.477 ' HA ' ' CB ' ' A' ' 89' ' ' ARG . 18.4 Cg_endo -74.96 -177.53 20.76 Favored 'Cis proline' 0 C--N 1.361 1.194 0 C-N-CA 120.986 -2.506 . . . . 0.0 111.0 -0.063 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.66 ' CE1' ' CH2' ' A' ' 51' ' ' TRP . 7.9 m170 -125.36 130.28 51.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.613 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 p -121.74 114.41 21.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.658 ' CD1' ' CD2' ' A' ' 47' ' ' TYR . 9.6 mt -137.12 148.34 26.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.404 ' OD2' ' C ' ' A' ' 38' ' ' GLU . 7.3 t0 65.65 12.3 8.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 85.67 7.24 82.0 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -121.5 168.11 12.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 0.741 . . . . 0.0 110.322 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 98.2 t -93.65 105.92 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 1.5 m -90.3 -173.22 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -155.79 108.73 2.15 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.301 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.418 ' HG3' ' ND1' ' A' ' 91' ' ' HIS . 18.3 Cg_endo -74.98 160.79 39.79 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.493 1.786 . . . . 0.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.3 mttm -138.75 158.67 43.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.435 ' O ' ' CB ' ' A' ' 103' ' ' ALA . 10.4 ttt180 -69.66 -37.91 76.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 110.311 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.435 ' CB ' ' O ' ' A' ' 102' ' ' ARG . . . 79.49 41.6 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -143.19 165.52 15.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 72.73 65.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -156.24 87.99 1.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 110.291 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -162.45 156.67 21.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.318 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -154.54 90.99 1.36 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 110.301 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.56 128.31 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.001 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -139.18 146.94 18.78 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.438 1.086 . . . . 0.0 110.992 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.8 167.7 0.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 0.753 . . . . 0.0 110.023 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 161.53 111.76 0.28 Allowed Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.494 1.121 . . . . 0.0 111.052 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -49.78 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.459 1.768 . . . . 0.0 110.993 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.6 m 62.16 156.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.998 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 59.8 p -158.22 166.76 31.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.023 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.509 1.131 . . . . 0.0 111.012 179.98 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 69.87 145.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 0.752 . . . . 0.0 109.985 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m 176.95 163.46 0.47 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.988 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.43 -107.03 0.2 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.526 1.141 . . . . 0.0 111.016 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 m 61.8 131.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 0.775 . . . . 0.0 109.991 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 177.18 170.95 0.55 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.986 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.08 164.63 27.95 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.451 1.094 . . . . 0.0 111.011 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -178.83 173.13 1.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 0.75 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -170.25 139.59 1.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.27 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -138.49 113.25 9.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.9 p -89.74 150.65 22.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.081 . . . . 0.0 110.414 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 mt -155.96 132.5 10.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -154.65 125.34 7.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.428 ' O ' ' CG1' ' A' ' 15' ' ' VAL . 5.2 t -167.09 144.71 4.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.411 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.428 ' CG1' ' O ' ' A' ' 14' ' ' THR . 27.2 m -155.14 153.64 27.42 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.23 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -164.34 0.23 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.468 1.772 . . . . 0.0 110.979 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -164.5 72.26 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -144.02 168.47 19.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -160.61 160.1 31.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.263 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 tttp 175.3 117.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 62.07 150.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.0 mtp180 39.8 67.55 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 110.324 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.448 ' O ' ' CD1' ' A' ' 27' ' ' PHE . 1.1 mp0 -91.74 -58.62 2.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.11 -15.28 44.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.25 -64.48 1.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.282 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -55.84 -18.44 8.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.298 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.448 ' CD1' ' O ' ' A' ' 23' ' ' GLU . 2.0 m-30 -69.05 -47.87 64.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.4 mtm180 -94.9 -14.39 24.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.251 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -87.19 112.91 22.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.43 ' CD2' ' SD ' ' A' ' 86' ' ' MET . 0.9 OUTLIER -102.48 165.69 10.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.736 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 11.6 t80 -121.74 112.4 18.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.991 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.516 HD11 ' CZ ' ' A' ' 48' ' ' TYR . 8.1 mm -87.66 120.2 36.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.68 119.63 4.01 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.509 1.131 . . . . 0.0 111.015 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.438 ' O ' ' NE ' ' A' ' 96' ' ' ARG . . . 121.1 34.04 0.92 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.526 ' CD1' ' N ' ' A' ' 35' ' ' LEU . 2.2 mp -79.2 2.6 20.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 0.762 . . . . 0.0 109.339 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.559 ' O ' ' CG ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 72.04 -66.26 0.31 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 110.015 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.559 ' CG ' ' O ' ' A' ' 36' ' ' SER . 0.2 OUTLIER 166.74 -28.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 40' ' ' THR . 6.9 mt-10 -83.78 -55.61 4.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 110.274 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 38' ' ' GLU . 1.0 OUTLIER -37.49 96.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.392 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 38' ' ' GLU . 79.3 p -86.12 -159.88 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.417 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.469 ' HG2' ' CG1' ' A' ' 59' ' ' VAL . 34.2 mt-10 -65.13 -51.38 61.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.16 . . . . 0.0 110.328 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 45' ' ' ARG . 1.6 tt0 -58.11 -69.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 110.322 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 42' ' ' GLU . 4.8 m -38.6 -55.4 1.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 110.02 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.454 ' CD1' HG23 ' A' ' 32' ' ' ILE . 0.9 OUTLIER -51.15 -46.98 62.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 49' ' ' GLU . 9.2 mtp180 -66.66 -50.71 62.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -46.32 -25.59 0.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.676 ' CD2' ' CD1' ' A' ' 93' ' ' ILE . 77.3 t80 -92.7 -45.76 7.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.516 ' CZ ' HD11 ' A' ' 32' ' ' ILE . 20.6 m-85 -87.98 20.74 2.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.976 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 45' ' ' ARG . 2.8 mt-10 -99.28 -16.73 18.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.266 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.401 ' CD ' ' O ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -83.36 -7.67 59.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.312 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.623 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 7.9 m0 -105.33 -36.95 7.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 108.023 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.99 166.42 37.59 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.487 1.117 . . . . 0.0 111.042 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.59 109.35 20.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 0.767 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.533 HD23 ' CE1' ' A' ' 76' ' ' PHE . 17.8 mt -69.11 104.27 2.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 75' ' ' THR . 36.0 p -59.92 -14.73 17.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 110.407 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -160.92 117.77 2.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.404 ' O ' ' SG ' ' A' ' 57' ' ' CYS . 27.3 p -122.61 116.6 24.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 108.275 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.8 t -121.75 139.04 50.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.108 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.469 ' CG1' ' HG2' ' A' ' 41' ' ' GLU . 7.7 p -124.56 112.32 31.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.564 ' HG3' ' CE1' ' A' ' 71' ' ' PHE . 35.4 mmt -64.03 147.15 52.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 111.027 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.418 ' HA ' ' N ' ' A' ' 69' ' ' ARG . 19.3 mtt180 -139.3 132.1 29.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.27 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 66' ' ' LYS . 46.2 m-20 -45.6 124.98 6.22 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.354 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -18.55 18.54 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.48 1.779 . . . . 0.0 110.978 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -97.78 -41.86 7.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.88 -47.86 12.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.977 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER 72.06 26.78 2.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 45.7 mtt-85 -124.95 48.12 2.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 49.2 m 61.15 145.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.039 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.425 ' HG2' ' N ' ' A' ' 62' ' ' ASP . 0.2 OUTLIER -90.63 -41.13 11.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.317 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 115.22 17.81 6.55 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.736 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 1.8 p90 -160.29 152.14 20.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 0.777 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -157.99 -158.46 8.99 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.525 1.141 . . . . 0.0 110.98 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -132.4 151.07 52.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 0.759 . . . . 0.0 111.019 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.443 HG22 ' CD1' ' A' ' 32' ' ' ILE . 28.7 m -134.33 112.5 16.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 55' ' ' THR . 19.9 m -100.5 98.26 8.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.514 1.134 . . . . 0.0 110.387 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.572 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 30.1 m-85 -67.26 172.48 4.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.27 -54.5 6.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.936 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.3 m -112.61 174.05 6.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.984 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.419 ' HA ' ' CG1' ' A' ' 82' ' ' VAL . 0.8 OUTLIER -87.83 -10.91 49.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.34 -59.54 2.7 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 109.339 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -48.51 -60.4 2.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.572 ' HB ' ' CD2' ' A' ' 76' ' ' PHE . 6.4 p -49.16 -44.6 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.45 -30.61 65.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.72 -60.46 3.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.351 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.459 ' HB1' ' CE3' ' A' ' 51' ' ' TRP . . . -45.32 -50.64 11.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.43 ' SD ' ' CD2' ' A' ' 30' ' ' LEU . 98.8 mmm -47.68 -51.56 21.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 111.025 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -91.52 47.33 1.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -141.77 27.38 1.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.449 ' HA ' ' C ' ' A' ' 90' ' ' PRO . 0.5 OUTLIER -82.84 158.79 64.54 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.449 ' C ' ' HA ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -75.03 -174.91 14.99 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 121.016 -2.493 . . . . 0.0 111.001 0.02 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.623 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 18.8 m170 -127.06 136.93 52.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.581 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.532 ' O ' ' CE1' ' A' ' 47' ' ' TYR . 4.6 p -127.88 114.75 17.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.971 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.676 ' CD1' ' CD2' ' A' ' 47' ' ' TYR . 15.9 mt -134.61 150.6 30.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.1 t0 62.93 14.31 7.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.9 12.21 81.57 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.479 1.112 . . . . 0.0 110.96 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.445 ' HD3' ' CB ' ' A' ' 36' ' ' SER . 7.0 ptm180 -127.75 168.15 15.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 72.7 t -88.53 116.5 30.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 1.5 m -99.16 -173.17 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.354 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -159.19 109.39 1.54 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 110.266 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 162.43 37.19 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.458 1.767 . . . . 0.0 111.004 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.401 ' HD2' ' CD1' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -141.91 140.67 32.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.63 -21.4 10.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.273 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.413 ' HB2' ' N ' ' A' ' 31' ' ' PHE . . . 66.81 41.23 2.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 35.6 m -112.75 158.02 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.422 ' O ' ' CB ' ' A' ' 106' ' ' ARG . . . 61.02 150.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.254 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.422 ' CB ' ' O ' ' A' ' 105' ' ' ALA . 0.2 OUTLIER 78.34 159.42 0.19 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 110.304 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 77.82 141.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.138 . . . . 0.0 110.323 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 68.76 117.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.277 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.2 t -158.73 160.56 36.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.995 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -76.86 -178.99 47.56 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.501 1.126 . . . . 0.0 110.986 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -154.84 -64.71 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 0.747 . . . . 0.0 110.013 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 104.26 100.15 2.6 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 176.21 10.21 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.504 1.791 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 17.7 p -159.24 165.49 33.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.971 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.2 t -179.69 161.88 1.04 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.042 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.473 1.108 . . . . 0.0 111.035 -179.994 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.02 135.86 53.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 0.75 . . . . 0.0 110.013 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.6 m -151.88 135.88 16.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.031 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -43.92 163.52 0.05 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.2 p -81.9 104.16 12.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 0.766 . . . . 0.0 110.009 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.1 m -163.92 81.37 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 110.01 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.68 63.16 0.61 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.478 1.111 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -152.89 168.13 26.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 0.796 . . . . 0.0 110.993 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 52.52 102.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.7 tttt -118.8 116.55 26.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 74.7 p -112.49 167.42 10.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 110.393 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -172.49 114.04 0.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.352 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -118.45 151.96 36.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.231 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.5 m -77.93 157.6 29.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.352 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.3 m -129.03 154.55 80.41 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 177.27 8.8 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.509 1.794 . . . . 0.0 111.023 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -172.94 97.89 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -168.32 162.13 12.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.88 136.67 1.39 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.45 1.094 . . . . 0.0 110.311 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -152.86 172.92 16.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.98 -175.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.78 92.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.282 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.76 -45.2 7.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 110.292 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.414 ' C ' ' N ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -97.99 -56.72 2.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 29' ' ' LYS . 2.1 tt0 -43.48 -26.64 0.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.338 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.414 ' N ' ' C ' ' A' ' 24' ' ' LYS . 14.1 pt20 -55.45 -18.67 7.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.278 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -77.7 -42.7 33.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 68.5 mtt180 -95.15 -7.37 39.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 110.291 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 25' ' ' GLU . 0.5 OUTLIER -90.53 114.44 26.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.7 mp -107.06 136.38 47.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.738 ' CE2' ' CD1' ' A' ' 71' ' ' PHE . 23.0 t80 -93.13 109.49 20.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.464 ' CD1' HG21 ' A' ' 74' ' ' VAL . 15.8 mm -78.71 126.7 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.96 112.57 1.49 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.446 ' O ' ' CG1' ' A' ' 98' ' ' VAL . . . 123.91 36.74 0.61 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.405 ' N ' ' CD1' ' A' ' 35' ' ' LEU . 5.5 mp -77.37 -8.79 58.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 0.78 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.538 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER 65.91 9.98 6.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.988 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.538 ' CG ' ' C ' ' A' ' 36' ' ' SER . 2.5 m-85 75.43 -2.25 2.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.143 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -101.2 -52.06 3.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -49.98 97.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.442 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 18.6 p -82.01 -172.67 4.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.395 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -54.05 -55.8 24.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.327 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -56.02 -70.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.327 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.5 m -38.24 -58.35 0.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 110.032 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.459 HD11 ' CG2' ' A' ' 32' ' ' ILE . 13.6 tp -45.75 -60.36 2.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.481 ' O ' ' N ' ' A' ' 49' ' ' GLU . 14.7 mtp180 -56.56 -50.0 73.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.173 . . . . 0.0 110.306 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 45' ' ' ARG . 5.6 t30 -40.25 -29.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.59 ' CE1' ' O ' ' A' ' 92' ' ' SER . 65.7 t80 -94.37 -43.4 8.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.437 ' CB ' HD13 ' A' ' 54' ' ' LEU . 41.8 m-85 -87.1 21.96 2.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 45' ' ' ARG . 2.1 mt-10 -99.08 -17.23 18.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.246 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -74.45 -61.87 1.72 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.607 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 7.6 m-90 -51.31 -40.62 59.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 107.999 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 48' ' ' TYR . . . -175.86 170.62 43.6 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.08 127.3 37.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 0.732 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.437 HD13 ' CB ' ' A' ' 48' ' ' TYR . 10.5 mt -81.71 110.23 16.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.444 ' CG2' ' HA ' ' A' ' 77' ' ' SER . 34.2 p -59.43 -21.14 59.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 110.398 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -160.9 127.08 3.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 8.4 t -128.29 122.37 31.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 108.311 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.3 t -127.33 139.53 51.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.3 p -124.26 118.54 54.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.335 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.567 ' HG3' ' CE1' ' A' ' 71' ' ' PHE . 34.5 mmt -68.57 142.85 55.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.5 mtp180 -136.7 137.74 40.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.256 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 66' ' ' LYS . 1.6 t0 -53.56 124.34 40.93 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -13.5 21.44 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.514 1.797 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -104.73 -43.23 5.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.76 -17.17 42.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.999 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 62' ' ' ASP . 6.2 mmtt 56.31 38.15 29.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.59 144.73 42.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.46 130.73 5.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -66.13 -27.44 68.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.257 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 108.14 17.5 10.8 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.738 ' CD1' ' CE2' ' A' ' 31' ' ' PHE . 4.7 p90 -161.05 154.75 22.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 0.774 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -156.72 -161.25 10.62 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.472 1.107 . . . . 0.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.437 ' CD1' ' NZ ' ' A' ' 29' ' ' LYS . 8.7 m-85 -131.59 144.92 51.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 0.744 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.464 HG21 ' CD1' ' A' ' 32' ' ' ILE . 27.4 m -131.97 115.96 28.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 55' ' ' THR . 12.9 m -101.12 98.96 9.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 110.411 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.522 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 17.4 m-85 -65.26 156.59 31.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.444 ' HA ' ' CG2' ' A' ' 55' ' ' THR . 1.0 OUTLIER -69.76 -51.45 33.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.001 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 t -111.62 175.69 5.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.009 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.461 ' O ' ' CG1' ' A' ' 82' ' ' VAL . 0.6 OUTLIER -87.39 -30.19 20.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.963 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.11 -62.55 1.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -42.96 -62.45 1.02 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.522 ' HB ' ' CD2' ' A' ' 76' ' ' PHE . 7.4 p -51.23 -43.45 28.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.342 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.13 -37.43 66.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.76 -41.07 72.24 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.52 1.137 . . . . 0.0 109.267 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.09 -29.34 69.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.358 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.1 mtp -67.28 -39.12 86.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.997 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -110.85 38.94 2.36 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.15 . . . . 0.0 109.307 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -111.05 -23.81 10.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.471 ' HA ' ' C ' ' A' ' 90' ' ' PRO . 0.1 OUTLIER -42.0 154.35 0.26 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.471 ' C ' ' HA ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -75.05 155.1 99.93 Favored 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 120.987 -2.506 . . . . 0.0 111.045 0.02 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.607 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 8.0 m170 -103.0 118.98 38.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.63 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.59 ' O ' ' CE1' ' A' ' 47' ' ' TYR . 74.7 p -106.82 125.53 51.13 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.507 1.129 . . . . 0.0 110.047 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.561 HG12 ' CD2' ' A' ' 47' ' ' TYR . 12.7 mt -134.51 123.7 43.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 59.28 29.99 19.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 109.273 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.43 -8.77 60.55 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.488 1.118 . . . . 0.0 110.987 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.41 ' O ' ' HA ' ' A' ' 92' ' ' SER . 0.0 OUTLIER -80.48 158.46 25.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.776 . . . . 0.0 110.32 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 99.3 t -105.84 84.58 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.446 ' CG1' ' O ' ' A' ' 34' ' ' GLY . 1.1 m -83.58 170.54 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -151.52 111.2 2.98 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.287 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.465 ' HD2' ' CD ' ' A' ' 89' ' ' ARG . 18.2 Cg_endo -75.01 157.72 42.56 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.518 1.799 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.4 mmmt -134.44 160.21 38.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.419 ' O ' ' CB ' ' A' ' 103' ' ' ALA . 0.3 OUTLIER -60.5 -36.95 79.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 102' ' ' ARG . . . 77.91 49.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 27.9 m -121.86 175.33 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.27 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -83.65 -65.02 1.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.352 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 -128.33 133.76 48.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.23 130.5 43.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.307 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 109' ' ' SER . 3.4 tp10 -171.06 146.39 2.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.26 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.41 ' N ' ' HG3' ' A' ' 108' ' ' GLU . 0.1 OUTLIER -52.16 153.71 2.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.009 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 175.21 -116.88 0.59 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.523 1.139 . . . . 0.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.9 m 59.89 106.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 0.757 . . . . 0.0 109.984 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -168.69 75.86 0.11 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.485 1.116 . . . . 0.0 111.048 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 157.15 43.03 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.467 1.772 . . . . 0.0 111.004 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -173.12 157.2 3.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.976 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.9 135.54 43.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.963 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.533 1.146 . . . . 0.0 111.0 -179.978 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -175.0 152.85 1.55 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 0.771 . . . . 0.0 110.033 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.3 p -167.52 153.13 7.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.987 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.27 -79.07 0.04 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.464 1.103 . . . . 0.0 111.06 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.3 123.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.497 0.763 . . . . 0.0 110.021 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.8 158.77 2.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.428 1.08 . . . . 0.0 110.004 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.04 123.23 0.81 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.493 1.121 . . . . 0.0 111.028 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -166.64 138.26 3.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 0.776 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -141.89 163.01 34.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.322 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.1 ptpt -160.97 170.02 21.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.0 t -136.13 124.94 23.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 110.428 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.0 mt -130.03 159.27 37.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.259 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -131.45 143.29 50.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.52 131.8 51.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.42 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.2 m -123.46 114.84 28.68 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 152.42 40.99 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.551 1.817 . . . . 0.0 111.017 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -176.01 130.83 0.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -78.46 81.58 4.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 110.285 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 169.84 161.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.282 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 68.03 166.79 0.25 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.82 109.47 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.258 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.7 158.75 33.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 110.339 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -93.91 -44.57 8.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.54 -56.76 2.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -43.3 -41.75 4.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.318 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.469 ' HB2' ' CG2' ' A' ' 104' ' ' VAL . 0.0 OUTLIER -45.03 -26.72 0.47 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 110.31 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 11.0 m-30 -59.35 -50.01 75.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -115.12 44.43 1.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.267 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.69 121.82 34.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.7 mp -119.18 149.21 42.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.589 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 20.9 t80 -109.8 104.59 13.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 111.027 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.477 ' CD1' HG21 ' A' ' 74' ' ' VAL . 5.6 mm -82.19 131.66 33.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.55 142.0 13.27 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.488 1.117 . . . . 0.0 110.973 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 87.77 58.8 1.77 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.469 ' CD1' HD12 ' A' ' 44' ' ' LEU . 7.0 mt -95.95 8.83 42.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 0.796 . . . . 0.0 109.345 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.569 ' O ' ' CG ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 76.26 -69.91 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.047 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.569 ' CG ' ' O ' ' A' ' 36' ' ' SER . 0.2 OUTLIER 159.86 -25.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 39' ' ' THR . 0.0 OUTLIER -85.66 -49.48 7.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 110.256 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 38' ' ' GLU . 1.0 OUTLIER -36.88 99.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.387 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 41' ' ' GLU . 0.7 OUTLIER -84.55 160.98 20.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 110.388 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.46 ' HG3' ' CG1' ' A' ' 59' ' ' VAL . 1.2 tt0 -37.54 -66.42 0.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -48.16 -59.09 3.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.105 . . . . 0.0 110.264 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.8 m -40.74 -56.83 2.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.955 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.469 HD12 ' CD1' ' A' ' 35' ' ' LEU . 7.1 tp -49.08 -52.73 23.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 49' ' ' GLU . 14.9 mtp180 -55.52 -49.96 71.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -47.93 -25.8 1.48 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.687 ' CD2' ' CD1' ' A' ' 93' ' ' ILE . 18.4 t80 -91.76 -45.34 8.47 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.49 1.119 . . . . 0.0 111.031 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -89.47 23.08 2.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.137 . . . . 0.0 111.013 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 45' ' ' ARG . 1.4 mt-10 -99.32 -22.28 15.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.424 ' HG2' ' N ' ' A' ' 51' ' ' TRP . 0.4 OUTLIER -76.05 -30.8 58.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.638 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 7.8 m0 -79.34 -38.65 34.64 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -179.56 155.57 16.06 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 111.027 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.12 118.11 19.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 0.793 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.404 HD11 ' CG ' ' A' ' 45' ' ' ARG . 11.1 mt -77.0 105.05 7.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 73.2 p -63.89 -28.74 70.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.431 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -146.71 115.85 6.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 43.1 t -127.76 127.13 43.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 108.292 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.0 t -127.06 131.31 70.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.46 ' CG1' ' HG3' ' A' ' 41' ' ' GLU . 10.8 p -114.26 113.86 45.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.579 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 33.6 mmt -68.77 145.92 53.36 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.5 mtt85 -126.4 161.81 27.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.322 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.474 ' HB3' ' CB ' ' A' ' 65' ' ' SER . 7.5 t0 -72.9 128.33 88.22 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -11.21 21.43 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.515 1.797 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -107.57 -36.1 6.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.474 ' CB ' ' HB3' ' A' ' 62' ' ' ASP . 0.1 OUTLIER -85.57 -40.73 15.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.983 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 62' ' ' ASP . 21.8 mttp 67.68 40.07 2.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -127.31 -73.24 0.61 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.28 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 m -164.81 144.47 7.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.981 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.1 -28.09 20.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 95.98 18.19 32.66 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.451 1.094 . . . . 0.0 111.027 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.602 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.2 OUTLIER -160.27 150.95 18.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 0.741 . . . . 0.0 110.97 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -162.17 -159.75 10.49 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.475 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 1.5 m-85 -127.8 143.37 51.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 0.804 . . . . 0.0 111.005 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.477 HG21 ' CD1' ' A' ' 32' ' ' ILE . 21.1 m -124.62 110.58 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.9 m -96.28 103.39 15.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.352 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.563 ' CE2' ' HA ' ' A' ' 82' ' ' VAL . 28.3 m-85 -68.95 167.77 15.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 111.037 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.4 t -79.49 -49.83 11.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.033 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.55 173.91 6.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 109.991 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.408 ' HA ' ' CG1' ' A' ' 82' ' ' VAL . 0.3 OUTLIER -83.68 -17.74 40.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.984 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.69 -60.87 2.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 84' ' ' ALA . 1.3 mt-10 -45.69 -61.68 1.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.108 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.563 ' HA ' ' CE2' ' A' ' 76' ' ' PHE . 6.0 p -47.02 -49.37 7.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.06 -33.43 51.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 81' ' ' GLU . . . -65.94 -63.33 1.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -43.08 -46.84 5.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -51.82 -45.38 63.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -104.38 50.71 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -138.74 30.03 2.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.473 ' CB ' ' HA ' ' A' ' 90' ' ' PRO . 7.4 mtm180 -89.19 160.94 41.8 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.279 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.473 ' HA ' ' CB ' ' A' ' 89' ' ' ARG . 18.4 Cg_endo -74.99 -174.29 13.85 Favored 'Cis proline' 0 C--N 1.359 1.131 0 C-N-CA 120.979 -2.509 . . . . 0.0 111.009 -0.039 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.638 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 23.1 m170 -129.34 124.56 34.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.549 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.8 p -114.9 115.62 27.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 110.032 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.687 ' CD1' ' CD2' ' A' ' 47' ' ' TYR . 9.4 mt -136.89 142.01 39.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.0 t0 65.47 16.11 10.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.145 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.98 5.44 89.31 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.53 1.143 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.495 ' CZ ' ' HB2' ' A' ' 96' ' ' ARG . 0.1 OUTLIER -113.9 169.64 8.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 0.759 . . . . 0.0 110.257 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.43 ' O ' ' NH2' ' A' ' 96' ' ' ARG . 62.2 t -98.38 98.49 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 3.0 m -75.02 -174.74 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -158.52 109.35 1.66 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 155.17 42.82 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.522 1.801 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 21.3 mttp -142.14 160.61 39.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.411 ' C ' ' N ' ' A' ' 104' ' ' VAL . 7.7 mtp180 -97.42 115.92 28.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -44.51 -27.09 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.469 ' CG2' ' HB2' ' A' ' 26' ' ' GLN . 3.5 t -109.71 142.13 23.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' A' ' 104' ' ' VAL . . . 77.03 -70.81 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.88 107.03 3.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -137.5 159.94 40.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -163.86 81.31 0.43 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.337 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.52 159.93 0.45 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.981 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 146.35 166.42 12.12 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.425 1.078 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.01 83.5 0.44 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 0.74 . . . . 0.0 109.984 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 170.07 157.14 11.87 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.544 1.153 . . . . 0.0 110.992 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 170.91 19.36 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.784 . . . . 0.0 111.037 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.9 -59.03 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.019 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 96.4 p -84.87 170.9 12.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.042 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.452 1.095 . . . . 0.0 111.013 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.76 153.67 0.55 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 0.763 . . . . 0.0 110.025 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.0 p -179.7 168.33 1.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.018 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.25 147.48 4.82 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.0 169.1 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 0.0 110.006 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.7 p -168.83 167.99 10.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.013 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.56 147.62 8.07 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.433 1.083 . . . . 0.0 111.021 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.9 ptp -166.4 170.68 12.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 0.756 . . . . 0.0 110.957 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -161.98 111.72 1.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -120.82 122.21 39.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.8 t -103.59 154.38 19.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.387 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.13 -63.6 1.27 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -120.76 162.65 19.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.6 m -67.06 142.58 57.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.42 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 24.6 m -68.82 116.93 46.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 135.15 18.68 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.472 1.775 . . . . 0.0 111.014 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.478 ' C ' ' CD2' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -97.38 160.08 14.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 176.67 145.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 110.278 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.65 111.97 6.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 110.307 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -139.37 59.92 1.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -145.16 168.91 19.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.96 130.29 9.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.296 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -55.84 -53.91 50.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.41 -25.41 1.04 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -68.12 -66.66 0.54 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.322 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -61.47 -42.47 98.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 110.297 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.9 m-30 -41.67 -51.76 3.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.971 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.3 mtt180 -102.29 47.0 0.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.26 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.42 ' O ' ' CB ' ' A' ' 103' ' ' ALA . 0.2 OUTLIER -129.71 114.66 16.26 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.497 ' CD2' ' SD ' ' A' ' 86' ' ' MET . 5.8 mp -107.95 155.77 19.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.8 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 35.0 t80 -112.84 103.81 11.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 110.979 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.442 ' CG2' HD21 ' A' ' 35' ' ' LEU . 9.1 mm -77.65 130.6 36.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.1 134.26 8.56 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.449 1.093 . . . . 0.0 111.038 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.484 ' O ' ' CG1' ' A' ' 98' ' ' VAL . . . 89.93 72.29 1.26 Allowed Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.442 HD21 ' CG2' ' A' ' 32' ' ' ILE . 5.7 mt -104.81 -1.15 26.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 0.769 . . . . 0.0 109.32 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.539 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 0.3 OUTLIER 65.12 8.98 5.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.981 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.539 ' CG ' ' C ' ' A' ' 36' ' ' SER . 3.2 m-85 74.04 -2.01 2.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 40' ' ' THR . 9.2 mt-10 -98.04 -67.85 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.416 ' CG2' ' HB2' ' A' ' 44' ' ' LEU . 1.4 m -37.99 97.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.455 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.438 ' N ' ' O ' ' A' ' 38' ' ' GLU . 70.9 p -79.33 -172.51 3.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.407 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -56.31 -51.27 68.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 110.307 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 43' ' ' SER . 3.9 tt0 -65.22 -67.86 0.41 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 110.321 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 42' ' ' GLU . 13.9 m -37.91 -41.35 0.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.155 . . . . 0.0 109.97 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.42 HD21 ' CG1' ' A' ' 74' ' ' VAL . 1.5 tp -64.76 -63.23 1.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.471 ' O ' ' N ' ' A' ' 49' ' ' GLU . 9.9 mtp180 -47.6 -46.83 28.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 110.262 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -44.09 -27.12 0.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.684 ' CD2' ' CD1' ' A' ' 93' ' ' ILE . 45.6 t80 -94.47 -45.6 7.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -87.88 23.16 2.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.974 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 45' ' ' ARG . 3.9 mt-10 -99.46 -18.69 17.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 110.279 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -72.24 -58.49 3.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 110.273 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.535 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 6.8 m-90 -54.7 -44.39 73.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 108.012 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -169.63 163.44 36.97 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.01 114.27 24.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 0.747 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.41 HD22 ' CE1' ' A' ' 76' ' ' PHE . 14.9 mt -70.38 106.87 3.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 75' ' ' THR . 3.4 p -56.88 -21.12 27.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.401 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -160.84 126.16 3.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.352 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 30.8 p -127.29 120.0 27.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 108.312 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.403 HG13 ' N ' ' A' ' 59' ' ' VAL . 6.8 t -122.13 141.58 41.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.403 ' N ' HG13 ' A' ' 58' ' ' VAL . 13.4 p -124.3 112.9 34.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.303 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.58 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 33.7 mmt -64.3 155.29 32.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.1 mtt85 -140.05 137.71 34.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.317 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.53 126.64 1.83 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -16.41 20.2 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.447 1.761 . . . . 0.0 110.972 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -104.58 -46.21 4.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.83 -31.95 61.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.003 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 58.03 36.26 25.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 28.5 mtt-85 -117.46 -72.63 0.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.563 1.164 . . . . 0.0 110.288 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.9 m -174.94 135.71 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.044 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.5 mtm180 -84.07 -39.83 19.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 106.9 22.66 7.49 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.469 1.106 . . . . 0.0 111.03 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.8 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 0.4 OUTLIER -157.44 151.2 24.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 0.0 110.963 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -158.33 -161.89 11.38 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -126.39 150.31 48.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 0.763 . . . . 0.0 111.009 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.42 ' CG1' HD21 ' A' ' 44' ' ' LEU . 4.1 m -134.62 107.93 9.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 55' ' ' THR . 6.7 m -95.17 100.82 12.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 110.444 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.552 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 22.0 m-85 -67.42 172.86 4.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.1 t -87.81 -40.0 14.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.037 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.83 165.27 15.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 0.0 110.041 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.97 -23.59 38.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.981 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.8 -60.57 2.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.319 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -44.78 -60.52 1.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.552 ' HB ' ' CD2' ' A' ' 76' ' ' PHE . 6.1 p -47.83 -47.0 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.168 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -54.4 -37.51 65.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.98 -66.25 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -40.18 -53.36 2.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.497 ' SD ' ' CD2' ' A' ' 30' ' ' LEU . 95.6 mmm -48.31 -54.01 15.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.425 1.078 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.41 47.59 1.5 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.525 ' O ' ' CD2' ' A' ' 91' ' ' HIS . . . -148.67 57.63 1.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.461 ' HA ' ' C ' ' A' ' 90' ' ' PRO . 11.0 mtm-85 -106.47 155.7 38.32 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 110.313 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.461 ' C ' ' HA ' ' A' ' 89' ' ' ARG . 18.4 Cg_endo -75.0 -167.85 6.0 Favored 'Cis proline' 0 C--N 1.359 1.13 0 C-N-CA 121.056 -2.477 . . . . 0.0 110.993 0.05 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.535 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 0.8 OUTLIER -128.64 115.66 18.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.609 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.496 ' O ' ' CE1' ' A' ' 47' ' ' TYR . 81.1 p -109.47 120.48 42.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.978 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.684 ' CD1' ' CD2' ' A' ' 47' ' ' TYR . 33.2 mt -137.15 133.39 47.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 56.5 25.68 10.02 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 74.72 25.55 69.48 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.54 1.15 . . . . 0.0 110.972 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.476 ' HG3' ' CB ' ' A' ' 36' ' ' SER . 0.4 OUTLIER -119.42 144.69 46.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 0.772 . . . . 0.0 110.292 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 73.4 t -86.19 76.01 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 109.235 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.484 ' CG1' ' O ' ' A' ' 34' ' ' GLY . 2.4 m -73.9 167.9 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -148.61 112.46 3.69 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.424 ' HG3' ' ND1' ' A' ' 91' ' ' HIS . 18.3 Cg_endo -75.02 157.16 42.84 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.465 1.771 . . . . 0.0 110.975 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -142.29 178.25 7.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.443 ' NH1' ' OE2' ' A' ' 107' ' ' GLU . 5.5 ttt180 -97.66 134.48 40.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 29' ' ' LYS . . . -98.93 61.66 1.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 30.2 m -128.31 170.74 17.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -75.28 -69.71 0.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.64 154.85 42.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.443 ' OE2' ' NH1' ' A' ' 102' ' ' ARG . 0.6 OUTLIER -102.25 154.32 19.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.329 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -172.63 -59.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.239 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -164.74 145.04 7.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.994 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -156.57 133.31 3.59 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.486 1.116 . . . . 0.0 110.952 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.5 t -146.47 157.87 43.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 0.793 . . . . 0.0 110.003 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -113.43 130.41 9.4 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -45.62 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.469 1.773 . . . . 0.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 45.5 m 63.16 124.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 110.065 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 46.7 t -140.27 159.57 41.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.014 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.541 1.151 . . . . 0.0 110.987 -179.972 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.0 t -177.57 117.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 0.76 . . . . 0.0 109.987 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.34 164.31 30.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.0 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.96 -166.12 23.39 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.513 1.133 . . . . 0.0 111.032 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.54 170.25 1.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 0.787 . . . . 0.0 109.946 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 t -168.3 166.9 12.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.027 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.88 142.65 8.19 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.481 1.113 . . . . 0.0 111.039 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -177.97 153.75 0.84 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 0.785 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -132.4 147.9 52.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.309 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -139.67 135.31 33.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.0 m 62.18 123.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 110.407 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -118.61 174.01 6.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -148.15 -55.93 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 16.8 m 43.79 82.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 110.356 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.48 ' CG2' ' HD2' ' A' ' 16' ' ' PRO . 3.5 p -156.57 142.34 12.79 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.16 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.48 ' HD2' ' CG2' ' A' ' 15' ' ' VAL . 18.4 Cg_endo -74.94 144.43 30.48 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.503 1.791 . . . . 0.0 111.03 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -159.36 143.02 14.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.254 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -136.87 90.85 2.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.1 -57.21 3.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.272 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.5 mttp -150.66 102.23 3.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 109.3 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -113.09 155.98 23.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -148.75 146.1 27.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.158 . . . . 0.0 110.278 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.43 ' C ' ' N ' ' A' ' 25' ' ' GLU . 17.1 mt-10 -91.33 -59.35 2.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 110.266 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -41.16 -29.51 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.43 ' N ' ' C ' ' A' ' 23' ' ' GLU . 9.0 mm-40 -83.67 -51.97 6.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.335 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -40.62 -59.99 1.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 110.252 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.426 ' O ' ' NH2' ' A' ' 28' ' ' ARG . 47.3 m-85 -50.53 -43.58 56.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.982 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.606 ' CZ ' ' CE ' ' A' ' 79' ' ' MET . 5.3 mmp_? -100.55 36.9 1.8 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.118 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.454 ' HG2' ' CB ' ' A' ' 103' ' ' ALA . 9.0 ttpt -130.75 115.96 17.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.41 ' N ' ' CD1' ' A' ' 30' ' ' LEU . 0.4 OUTLIER -108.09 134.59 50.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.763 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 10.7 t80 -94.33 102.7 14.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 111.012 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.476 ' CG2' HD22 ' A' ' 35' ' ' LEU . 3.4 mm -76.94 134.46 28.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.29 126.64 5.82 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.468 1.105 . . . . 0.0 110.966 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.495 ' O ' ' CG1' ' A' ' 98' ' ' VAL . . . 90.57 78.02 1.35 Allowed Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.476 HD22 ' CG2' ' A' ' 32' ' ' ILE . 4.8 mt -104.84 1.14 28.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 0.0 109.304 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.515 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 78.38 -1.34 2.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 0.0 110.047 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.515 ' CG ' ' C ' ' A' ' 36' ' ' SER . 1.2 m-85 75.59 -2.33 2.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 40' ' ' THR . 0.6 OUTLIER -105.99 -63.88 1.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 0.0 110.27 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 38' ' ' GLU . 2.2 m -38.37 97.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.357 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.43 ' N ' ' O ' ' A' ' 38' ' ' GLU . 36.7 p -68.33 -174.66 0.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 110.398 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.47 ' HG2' ' CG1' ' A' ' 59' ' ' VAL . 67.2 mt-10 -57.6 -49.73 75.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 110.294 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 45' ' ' ARG . 4.2 tt0 -65.6 -60.75 2.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.297 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.9 m -43.76 -29.47 0.53 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.016 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.4 HD11 ' CE2' ' A' ' 48' ' ' TYR . 0.4 OUTLIER -80.1 -43.52 21.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.276 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.475 ' HG2' ' CD1' ' A' ' 54' ' ' LEU . 22.0 mtm180 -62.42 -44.84 95.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.454 ' ND2' ' C ' ' A' ' 46' ' ' ASN . 0.8 OUTLIER -47.48 -27.21 1.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.575 ' CD2' HD13 ' A' ' 93' ' ' ILE . 75.1 t80 -91.53 -47.25 7.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.4 ' CE2' HD11 ' A' ' 44' ' ' LEU . 53.3 m-85 -89.29 26.68 1.59 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.965 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 45' ' ' ARG . 1.6 mt-10 -98.95 -13.7 19.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.459 ' CG ' ' N ' ' A' ' 51' ' ' TRP . 20.6 pt20 -82.92 -47.55 11.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.619 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 5.4 m-90 -65.26 -13.68 58.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 108.019 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 158.36 161.34 10.94 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.435 1.084 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.16 104.05 16.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 0.748 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.475 ' CD1' ' HG2' ' A' ' 45' ' ' ARG . 26.2 mt -59.08 115.02 2.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 62.4 p -72.14 -29.57 64.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.353 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -145.25 118.07 8.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 30.5 p -122.9 116.55 23.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.565 1.165 . . . . 0.0 108.324 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 8.1 t -123.66 140.86 45.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.16 . . . . 0.0 109.27 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.47 ' CG1' ' HG2' ' A' ' 41' ' ' GLU . 11.6 p -124.65 116.66 48.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.577 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 34.0 mmt -69.77 141.3 53.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 -133.87 153.56 51.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 110.307 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.444 ' CB ' ' HB2' ' A' ' 65' ' ' SER . 40.3 m-20 -61.65 132.89 93.28 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -20.1 17.25 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.519 1.8 . . . . 0.0 110.977 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -105.19 -43.8 4.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.444 ' HB2' ' CB ' ' A' ' 62' ' ' ASP . 0.1 OUTLIER -73.76 -32.82 64.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.981 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.68 11.89 7.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.3 134.26 55.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.337 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 42.0 m -39.17 132.74 1.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.983 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -72.37 -32.07 66.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 34' ' ' GLY . . . 112.78 25.12 4.67 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.534 1.146 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.763 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -160.08 145.01 14.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 0.738 . . . . 0.0 110.976 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -156.48 -159.05 9.18 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -128.64 149.38 50.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 0.767 . . . . 0.0 110.961 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.463 HG23 ' CD1' ' A' ' 32' ' ' ILE . 3.7 m -134.15 111.8 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.5 m -96.67 107.96 20.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.105 . . . . 0.0 110.422 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.566 ' CD1' ' HB3' ' A' ' 81' ' ' GLU . 13.4 m-85 -74.02 172.9 10.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.6 -48.62 6.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.045 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.416 ' CB ' ' HG2' ' A' ' 81' ' ' GLU . 0.1 OUTLIER -96.19 170.65 9.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 110.002 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.606 ' CE ' ' CZ ' ' A' ' 28' ' ' ARG . 0.7 OUTLIER -88.12 -16.12 34.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -90.43 -29.25 18.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.566 ' HB3' ' CD1' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -63.55 -24.78 67.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.451 HG22 ' NH1' ' A' ' 28' ' ' ARG . 2.0 m -91.73 -44.48 14.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.75 -24.04 63.72 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 87' ' ' ALA . . . -74.23 -67.73 0.59 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -41.78 -45.59 3.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.425 ' CE ' ' HG3' ' A' ' 102' ' ' ARG . 0.7 OUTLIER -48.82 -42.8 37.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 110.996 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . -109.43 48.96 0.85 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.554 ' O ' ' CD2' ' A' ' 91' ' ' HIS . . . -133.56 41.98 3.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.461 ' CB ' ' HA ' ' A' ' 90' ' ' PRO . 0.4 OUTLIER -95.99 159.84 31.36 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.129 . . . . 0.0 110.27 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.461 ' HA ' ' CB ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -74.99 -174.89 14.94 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 120.985 -2.506 . . . . 0.0 111.036 -0.035 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.619 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 6.9 m170 -130.99 114.78 15.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.594 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 85.3 p -101.67 125.34 48.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 110.023 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.575 HD13 ' CD2' ' A' ' 47' ' ' TYR . 21.7 mm -133.53 123.25 45.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 22.9 t0 67.53 9.27 6.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 101.7 -14.75 57.54 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.503 1.127 . . . . 0.0 110.961 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 96' ' ' ARG . 0.0 OUTLIER -86.81 166.28 15.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.773 . . . . 0.0 110.287 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 79.1 t -99.6 102.41 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.495 ' CG1' ' O ' ' A' ' 34' ' ' GLY . 2.7 m -84.12 -174.28 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -158.86 109.3 1.6 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 153.47 41.65 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.509 1.794 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -139.9 172.81 12.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.425 ' HG3' ' CE ' ' A' ' 86' ' ' MET . 6.2 mtt180 -100.54 139.4 36.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.338 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.454 ' CB ' ' HG2' ' A' ' 29' ' ' LYS . . . -94.68 53.43 1.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 35.4 m -126.18 143.81 38.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 64.51 157.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.1 ptt-85 -145.45 134.19 22.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.157 . . . . 0.0 110.326 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.74 -54.9 0.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -39.85 -60.77 0.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.34 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 32.9 m 54.52 90.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.972 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -179.45 105.36 0.19 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.534 1.146 . . . . 0.0 110.978 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.5 t -163.47 -60.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 0.76 . . . . 0.0 109.993 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 54.97 87.85 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.475 1.109 . . . . 0.0 110.979 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 150.43 38.05 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.51 1.795 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.3 m -47.25 115.45 1.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.956 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 69.5 p -177.11 134.54 0.19 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.024 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 -179.974 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m 63.88 124.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 0.749 . . . . 0.0 110.028 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.0 p -179.23 121.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.002 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.44 67.68 0.17 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.543 1.152 . . . . 0.0 110.983 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.2 p -128.43 110.3 12.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 0.74 . . . . 0.0 109.996 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -131.04 154.77 47.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.965 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.33 161.51 32.61 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.518 1.136 . . . . 0.0 110.967 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.0 mtm 59.26 161.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 0.77 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -152.2 82.64 1.26 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.322 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -147.45 116.27 6.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.2 p -123.51 139.78 53.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.43 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.19 148.5 49.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.236 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -68.5 152.72 44.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 110.268 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.8 t -108.18 140.73 40.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.411 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.6 m -141.75 151.32 59.67 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 169.28 22.98 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.499 1.789 . . . . 0.0 111.046 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -124.65 -63.57 1.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -158.86 156.74 30.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.4 ' NH1' ' HB1' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -104.11 145.9 29.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.322 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.4 mttm -56.69 177.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 0.0 109.308 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.7 -69.22 0.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.5 106.55 0.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 110.307 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.422 ' HB3' ' CE1' ' A' ' 27' ' ' PHE . 2.5 mp0 -56.33 -41.03 75.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.264 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.1 -27.57 33.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -66.68 -68.02 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -59.63 -35.62 74.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.422 ' CE1' ' HB3' ' A' ' 23' ' ' GLU . 2.9 m-30 -52.39 -51.64 57.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 111.051 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -105.62 48.04 0.85 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 110.304 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.575 ' HE3' ' CD2' ' A' ' 73' ' ' PHE . 24.1 tttt -138.66 132.26 30.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.9 mp -123.42 157.62 33.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.79 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 14.0 t80 -111.76 101.89 10.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.456 ' CD1' HG23 ' A' ' 74' ' ' VAL . 4.1 mm -74.9 135.07 28.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.43 136.88 9.52 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.513 1.133 . . . . 0.0 111.031 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 70' ' ' GLY . . . 82.28 74.65 1.17 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.461 ' O ' ' HB3' ' A' ' 36' ' ' SER . 9.5 mt -102.66 -0.68 31.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 0.772 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.539 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 6.7 t 68.14 -0.35 2.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.962 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.539 ' CG ' ' C ' ' A' ' 36' ' ' SER . 1.7 m-85 69.09 -1.1 2.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -111.53 24.01 13.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.45 ' CG2' ' HB2' ' A' ' 44' ' ' LEU . 1.1 m -124.17 113.99 19.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.432 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 57.1 p -85.45 157.87 20.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.424 1.078 . . . . 0.0 110.415 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.454 ' CG ' ' CG1' ' A' ' 59' ' ' VAL . 60.0 mt-10 -41.31 -46.72 3.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.128 . . . . 0.0 110.288 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -63.71 -68.0 0.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.291 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.6 m -40.53 -34.37 0.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.999 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.45 ' HB2' ' CG2' ' A' ' 39' ' ' THR . 0.2 OUTLIER -74.49 -57.51 3.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 109.333 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.458 ' HG2' ' CD1' ' A' ' 54' ' ' LEU . 5.3 mtp180 -48.93 -45.02 41.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 110.332 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -49.77 -26.17 3.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.267 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -87.18 -47.22 9.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 110.993 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.406 ' HA ' ' CE3' ' A' ' 51' ' ' TRP . 71.7 m-85 -90.93 24.06 2.92 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.5 1.125 . . . . 0.0 110.955 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 45' ' ' ARG . 1.4 mt-10 -99.15 -22.79 15.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.15 . . . . 0.0 110.338 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -76.0 -30.96 58.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 110.274 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.652 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 8.0 m0 -78.62 -43.83 25.38 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -170.91 153.78 21.47 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.543 1.152 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.42 113.36 13.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 0.747 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.458 ' CD1' ' HG2' ' A' ' 45' ' ' ARG . 19.3 mt -74.31 115.96 14.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.6 p -74.25 -29.93 61.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 110.427 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -143.17 118.48 10.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 8.7 p -128.01 118.55 23.73 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 108.323 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 8.5 t -124.58 140.82 46.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 109.27 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.454 ' CG1' ' CG ' ' A' ' 41' ' ' GLU . 9.8 p -124.41 120.33 58.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.583 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 35.1 mmt -73.1 150.33 42.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.428 ' HA ' ' N ' ' A' ' 69' ' ' ARG . 34.4 mtt180 -130.55 141.8 50.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.257 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -41.82 139.65 1.57 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -11.05 21.42 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.522 1.801 . . . . 0.0 110.974 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -111.65 -49.81 2.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.05 -44.18 55.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.977 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.22 25.75 5.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -129.99 77.29 1.78 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 18.2 m 61.56 137.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.978 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.428 ' N ' ' HA ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -100.7 -23.07 14.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 34' ' ' GLY . . . 106.09 9.06 32.8 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.449 1.093 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.79 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -158.96 149.02 19.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 0.783 . . . . 0.0 110.989 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -156.05 -160.62 10.12 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.537 1.148 . . . . 0.0 110.954 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.575 ' CD2' ' HE3' ' A' ' 29' ' ' LYS . 5.7 m-85 -128.92 147.21 50.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.456 HG23 ' CD1' ' A' ' 32' ' ' ILE . 13.6 m -131.91 121.1 46.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.4 m -107.48 105.02 14.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 110.395 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.568 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 57.3 m-85 -71.89 179.74 3.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.4 t -90.64 -48.27 7.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.981 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.2 m -117.92 167.98 10.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.107 . . . . 0.0 109.991 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.452 ' HA ' ' CG1' ' A' ' 82' ' ' VAL . 0.2 OUTLIER -80.53 -17.15 52.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.91 -56.12 5.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -51.09 -58.66 5.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.276 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.568 ' HB ' ' CD2' ' A' ' 76' ' ' PHE . 7.1 p -52.75 -41.05 37.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.28 -32.77 70.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.78 -57.08 8.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -47.63 -48.62 28.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.2 mtp -49.92 -38.84 38.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -108.58 48.7 0.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.478 ' O ' ' CD2' ' A' ' 91' ' ' HIS . . . -137.62 35.68 2.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.448 ' CB ' ' HA ' ' A' ' 90' ' ' PRO . 4.6 mtm-85 -90.94 159.55 39.88 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.318 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.448 ' HA ' ' CB ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -75.05 -176.85 18.94 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 120.958 -2.517 . . . . 0.0 111.006 0.009 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.652 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 13.0 m170 -125.75 117.01 22.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.113 . . . . 0.0 109.563 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.4 p -108.26 116.07 31.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.032 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.41 ' O ' ' CG ' ' A' ' 96' ' ' ARG . 10.4 mt -137.01 142.83 36.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.407 ' OD2' ' OG ' ' A' ' 36' ' ' SER . 38.6 t70 63.46 13.84 7.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 85.68 5.09 84.68 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.495 ' CZ ' ' HB2' ' A' ' 96' ' ' ARG . 0.1 OUTLIER -112.65 168.5 9.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 0.793 . . . . 0.0 110.29 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 66.3 t -97.02 92.81 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.405 ' C ' ' OE1' ' A' ' 99' ' ' GLU . 1.5 m -73.84 -175.76 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.405 ' OE1' ' C ' ' A' ' 98' ' ' VAL . 1.7 pm0 -158.35 109.71 1.69 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 110.313 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 153.72 42.1 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.529 1.805 . . . . 0.0 111.054 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.0 mmmt -138.48 166.16 25.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.253 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.403 ' NH1' ' HG2' ' A' ' 107' ' ' GLU . 1.7 ttt180 -91.84 134.87 34.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.461 ' CB ' ' HE2' ' A' ' 29' ' ' LYS . . . -100.88 50.67 0.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 27.4 m -126.74 -176.93 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.4 ' HB1' ' NH1' ' A' ' 19' ' ' ARG . . . -97.02 80.8 3.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 56.78 167.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.34 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.403 ' HG2' ' NH1' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -86.22 89.96 8.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.315 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.9 176.3 8.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 70.37 -71.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.008 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -48.72 -61.1 5.44 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.481 1.113 . . . . 0.0 111.041 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 28.8 p -67.81 114.67 6.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 110.003 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 120.91 -125.99 6.43 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.523 1.14 . . . . 0.0 111.019 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 173.7 14.07 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.573 1.828 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.9 p -156.24 171.98 19.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.99 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.4 m -97.62 165.97 11.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.996 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 -179.965 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.69 166.84 4.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 0.756 . . . . 0.0 110.011 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.4 p -160.72 167.8 26.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 109.971 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.46 -174.78 13.53 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.32 164.28 3.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 0.794 . . . . 0.0 110.027 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.84 168.83 25.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.028 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.14 -157.52 8.09 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.541 1.151 . . . . 0.0 111.013 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.0 mpp? 58.04 93.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 0.767 . . . . 0.0 111.024 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -136.43 165.97 24.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.468 ' HE3' ' CA ' ' A' ' 110' ' ' GLY . 0.0 OUTLIER -55.17 -177.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.0 t -113.29 -42.18 3.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.391 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.8 tp -161.34 146.7 13.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.344 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -146.7 122.65 10.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.406 HG21 ' N ' ' A' ' 15' ' ' VAL . 19.9 m -134.35 146.21 49.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.363 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.406 ' N ' HG21 ' A' ' 14' ' ' THR . 2.6 p -159.47 140.78 9.43 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 129.3 12.18 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.526 1.803 . . . . 0.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -93.15 179.69 5.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -145.62 -62.38 0.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.326 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.4 mtt180 -39.12 151.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 110.302 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.7 tttt -128.69 112.47 14.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -179.01 -62.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.2 -52.89 2.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.475 ' O ' ' CD1' ' A' ' 27' ' ' PHE . 69.0 mm-40 -50.93 -45.3 60.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.3 -25.65 62.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -69.2 -64.91 0.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.314 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -58.95 -33.77 71.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.325 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.475 ' CD1' ' O ' ' A' ' 23' ' ' GLU . 0.7 OUTLIER -49.26 -47.12 46.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 111.029 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -98.33 -22.69 15.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.57 114.68 23.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.2 mp -109.43 137.94 46.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.649 ' CE2' ' CD1' ' A' ' 71' ' ' PHE . 29.2 t80 -96.73 110.56 22.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.478 ' CG2' HD22 ' A' ' 35' ' ' LEU . 8.3 mm -81.5 130.73 35.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.3 132.57 9.39 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 70' ' ' GLY . . . 82.83 74.94 1.18 Allowed Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.478 HD22 ' CG2' ' A' ' 32' ' ' ILE . 6.8 mt -99.01 0.87 44.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 0.773 . . . . 0.0 109.266 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.531 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 0.2 OUTLIER 71.95 -3.18 2.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 109.987 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.631 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 0.2 OUTLIER 71.21 -1.06 2.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.417 ' CB ' ' OD2' ' A' ' 94' ' ' ASP . 0.3 OUTLIER -116.52 22.16 12.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.575 1.172 . . . . 0.0 110.284 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.8 107.33 13.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.414 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -85.72 176.22 8.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.429 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.492 ' OE2' ' N ' ' A' ' 59' ' ' VAL . 64.3 mm-40 -51.44 -61.15 2.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.254 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -46.91 -45.65 20.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.319 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 75.7 m -64.09 -53.92 42.13 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.48 1.112 . . . . 0.0 109.988 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 tp -57.56 -39.66 77.18 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.471 ' O ' ' N ' ' A' ' 49' ' ' GLU . 1.3 mtm105 -69.15 -54.7 13.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -45.59 -25.92 0.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.646 ' CD2' ' CD1' ' A' ' 93' ' ' ILE . 87.3 t80 -88.84 -50.81 5.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -88.58 24.44 1.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 45' ' ' ARG . 2.2 mt-10 -99.36 -24.66 14.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.415 ' CD ' ' O ' ' A' ' 47' ' ' TYR . 1.5 pt20 -74.67 -29.98 61.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.316 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.649 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 7.2 m0 -81.38 -36.1 30.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 108.007 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 178.82 163.38 29.89 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.474 1.108 . . . . 0.0 111.015 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.5 113.16 21.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 0.788 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 18.6 mt -69.98 113.01 6.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.423 ' N ' ' O ' ' A' ' 75' ' ' THR . 18.6 p -74.19 -13.29 60.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.417 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -159.39 115.67 2.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.408 ' SG ' ' OE1' ' A' ' 41' ' ' GLU . 28.4 p -128.04 119.86 26.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 108.28 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.2 t -128.97 129.92 68.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.492 ' N ' ' OE2' ' A' ' 41' ' ' GLU . 6.3 p -116.76 115.04 47.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.575 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 33.5 mmt -68.69 144.21 54.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.98 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -125.47 140.22 52.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 110.28 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.468 ' CB ' ' HB2' ' A' ' 65' ' ' SER . 2.9 m-20 -40.2 145.12 0.5 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -27.72 9.87 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.53 1.805 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -113.39 -49.09 2.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.511 ' O ' ' CG ' ' A' ' 67' ' ' ARG . 0.4 OUTLIER -66.44 -23.21 66.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.976 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.488 ' HG3' ' C ' ' A' ' 65' ' ' SER . 0.0 OUTLIER 35.21 33.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.511 ' CG ' ' O ' ' A' ' 65' ' ' SER . 6.0 mtt180 -121.14 46.32 2.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.6 m 71.28 132.71 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 110.019 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.31 -39.73 24.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.328 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 34' ' ' GLY . . . 114.12 13.49 9.95 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.649 ' CD1' ' CE2' ' A' ' 31' ' ' PHE . 0.5 OUTLIER -156.29 149.77 24.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 0.777 . . . . 0.0 110.997 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -156.37 -158.54 8.9 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -133.92 145.25 49.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 0.752 . . . . 0.0 111.016 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 16.7 m -133.68 114.63 20.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 55' ' ' THR . 1.8 m -105.29 105.63 15.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.367 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.516 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 40.4 m-85 -69.08 170.29 10.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.969 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.04 -41.63 17.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.952 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.6 160.55 21.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.992 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.404 ' O ' ' CG1' ' A' ' 82' ' ' VAL . 2.4 tpt -76.06 -23.01 55.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 110.974 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.76 -61.87 1.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 84' ' ' ALA . 1.2 mp0 -43.07 -61.25 1.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.332 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.516 ' HB ' ' CD2' ' A' ' 76' ' ' PHE . 6.3 p -47.89 -37.96 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -62.47 -36.17 81.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 81' ' ' GLU . . . -60.36 -55.6 31.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.25 -42.58 66.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -55.47 -35.1 65.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -116.68 50.12 1.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -139.35 29.85 2.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.482 ' CB ' ' HA ' ' A' ' 90' ' ' PRO . 10.6 mtm180 -86.63 160.9 49.53 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.308 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.482 ' HA ' ' CB ' ' A' ' 89' ' ' ARG . 18.2 Cg_endo -74.97 178.79 33.12 Favored 'Cis proline' 0 C--N 1.359 1.118 0 C-N-CA 121.011 -2.495 . . . . 0.0 111.025 -0.011 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.649 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 9.7 m170 -121.83 128.82 52.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.56 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.4 p -123.22 120.64 33.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.987 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.646 ' CD1' ' CD2' ' A' ' 47' ' ' TYR . 7.0 mt -137.06 148.72 26.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.417 ' OD2' ' CB ' ' A' ' 38' ' ' GLU . 4.6 t0 62.91 14.64 7.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.98 11.91 80.53 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.132 . . . . 0.0 110.97 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.509 ' CZ ' ' HB2' ' A' ' 96' ' ' ARG . 0.1 OUTLIER -121.63 168.65 11.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 0.75 . . . . 0.0 110.343 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.406 ' O ' ' NH2' ' A' ' 96' ' ' ARG . 47.8 t -94.77 105.95 17.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 1.3 m -92.43 -172.05 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -158.43 109.46 1.67 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.41 ' HG3' ' ND1' ' A' ' 91' ' ' HIS . 18.3 Cg_endo -74.98 157.27 42.94 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.548 1.815 . . . . 0.0 111.004 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 11.9 mmtm -136.1 152.51 50.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.483 ' O ' ' CB ' ' A' ' 103' ' ' ALA . 4.3 mtt180 -62.63 -35.71 80.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.256 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.483 ' CB ' ' O ' ' A' ' 102' ' ' ARG . . . 83.5 38.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.419 HG22 ' N ' ' A' ' 105' ' ' ALA . 27.2 m -108.28 -47.39 7.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.14 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.419 ' N ' HG22 ' A' ' 104' ' ' VAL . . . 170.86 102.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 47.73 -170.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.298 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -89.93 112.4 23.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.322 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 56.22 98.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.403 ' OG ' ' N ' ' A' ' 110' ' ' GLY . 25.2 p -75.96 -62.91 1.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.003 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.468 ' CA ' ' HE3' ' A' ' 10' ' ' LYS . . . 65.29 106.95 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.462 1.101 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.9 t -168.33 86.82 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 0.79 . . . . 0.0 110.016 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -54.75 120.62 17.77 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.521 1.138 . . . . 0.0 110.945 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 174.01 13.52 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.487 1.783 . . . . 0.0 110.954 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.1 130.91 55.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.033 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 43.4 p -159.6 135.62 8.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.42 1.075 . . . . 0.0 110.001 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 O-C-N 124.491 1.119 . . . . 0.0 111.02 -179.964 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.17 121.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 0.767 . . . . 0.0 109.993 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -171.47 164.01 6.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.022 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.46 -97.54 0.11 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.6 p 60.24 158.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.76 . . . . 0.0 110.035 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -178.89 170.03 1.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 110.01 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.87 143.35 3.66 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.523 1.139 . . . . 0.0 111.003 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.39 150.59 9.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 0.773 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -177.24 131.91 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.34 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.43 178.4 6.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.2 m 55.54 107.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.421 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 178.13 97.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -166.36 170.78 12.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.247 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.7 t -166.32 154.7 10.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.389 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.42 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 1.6 p 177.98 133.19 0.22 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.244 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 15' ' ' VAL . 18.4 Cg_endo -75.01 162.08 37.68 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.497 1.788 . . . . 0.0 111.002 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 mt -113.25 171.43 7.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.29 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -126.13 165.5 18.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.256 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.3 ppt_? -92.55 173.24 7.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 0.0 110.332 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.39 -175.39 4.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.47 151.43 5.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 42.79 86.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.138 . . . . 0.0 110.293 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.574 ' O ' ' CD1' ' A' ' 27' ' ' PHE . 9.5 pt-20 -76.83 -35.34 57.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -29.24 70.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -70.71 -66.86 0.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 110.276 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -53.19 -35.21 59.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.313 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.574 ' CD1' ' O ' ' A' ' 23' ' ' GLU . 3.4 m-30 -51.3 -51.99 49.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 89.2 mtt180 -107.38 51.42 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.298 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.81 117.11 11.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.3 mp -112.25 162.64 15.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.798 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 33.1 t80 -118.23 101.86 8.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.553 HD13 ' CE2' ' A' ' 48' ' ' TYR . 15.0 mm -75.64 131.74 34.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -135.22 113.03 1.06 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.509 ' O ' ' CG1' ' A' ' 98' ' ' VAL . . . 127.19 38.26 0.43 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.563 ' CD1' ' N ' ' A' ' 35' ' ' LEU . 1.3 mp -83.07 7.24 16.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 0.792 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.551 ' O ' ' CG ' ' A' ' 37' ' ' PHE . 0.3 OUTLIER 68.19 -64.43 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.979 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.551 ' CG ' ' O ' ' A' ' 36' ' ' SER . 0.2 OUTLIER 164.0 -27.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 111.033 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 39' ' ' THR . 3.4 tt0 -87.2 -53.12 5.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.348 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.483 ' CG2' HG23 ' A' ' 93' ' ' ILE . 1.2 m -37.91 99.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.391 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.4 ' N ' ' O ' ' A' ' 38' ' ' GLU . 81.0 p -84.53 -158.8 0.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.417 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.47 ' CG ' HG12 ' A' ' 59' ' ' VAL . 53.2 mt-10 -67.87 -51.02 53.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.343 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 43' ' ' SER . 23.8 tt0 -63.58 -63.63 1.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.31 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 42' ' ' GLU . 28.8 m -38.63 -42.69 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.009 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.473 ' CD1' HG22 ' A' ' 32' ' ' ILE . 2.0 tp -70.15 -53.3 17.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.466 ' O ' ' N ' ' A' ' 49' ' ' GLU . 4.6 mtp-105 -53.92 -51.21 64.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.268 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -42.81 -28.08 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.569 ' CD2' HD13 ' A' ' 93' ' ' ILE . 31.8 t80 -94.43 -44.06 8.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.553 ' CE2' HD13 ' A' ' 32' ' ' ILE . 38.2 m-85 -87.26 21.44 2.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 45' ' ' ARG . 3.0 mt-10 -99.71 -43.72 6.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -49.55 -45.5 47.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.248 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.57 ' CZ2' ' HB2' ' A' ' 88' ' ' ALA . 3.8 m-90 -65.1 -45.46 85.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 107.981 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -174.2 153.34 16.5 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.41 120.28 22.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 0.779 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.455 ' CD1' ' HG2' ' A' ' 45' ' ' ARG . 7.5 mt -78.23 112.54 15.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 75' ' ' THR . 13.6 p -53.53 -26.43 21.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.402 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -161.06 134.21 6.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.422 ' CB ' ' HD2' ' A' ' 45' ' ' ARG . 35.5 t -128.39 122.41 31.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 108.33 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.4 t -119.16 137.46 53.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.47 HG12 ' CG ' ' A' ' 41' ' ' GLU . 10.4 p -124.75 113.72 37.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.575 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 35.5 mmt -64.07 146.72 53.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 111.026 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.418 ' HA ' ' N ' ' A' ' 69' ' ' ARG . 31.4 mtp180 -130.19 133.78 46.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.419 ' N ' ' HG2' ' A' ' 69' ' ' ARG . 44.0 m-20 -47.1 132.53 9.15 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.235 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -9.11 20.62 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.47 1.774 . . . . 0.0 110.991 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -108.81 -48.37 3.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 m -79.47 -43.91 22.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.006 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 62' ' ' ASP . 2.5 mttp 67.92 28.61 6.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.8 mtp180 -126.89 56.96 1.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.272 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.6 m 63.64 131.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 110.037 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.419 ' HG2' ' N ' ' A' ' 62' ' ' ASP . 2.3 mtm180 -80.4 -18.3 49.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 98.1 14.89 37.69 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.798 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 1.8 p90 -160.78 154.14 21.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 0.782 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -161.7 -160.66 11.08 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.532 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 0.5 OUTLIER -127.94 148.92 50.52 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 0.774 . . . . 0.0 111.02 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.438 ' CG1' ' CD2' ' A' ' 44' ' ' LEU . 18.9 m -128.54 118.4 47.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 55' ' ' THR . 2.8 m -102.76 100.02 10.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 110.424 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.542 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 11.2 m-85 -68.99 168.97 12.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 111.028 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.21 -51.69 8.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 110.017 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.47 172.16 7.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.982 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.52 -21.87 35.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.16 -64.13 0.93 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -41.93 -62.46 0.91 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.542 ' HB ' ' CD2' ' A' ' 76' ' ' PHE . 6.4 p -48.97 -48.83 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.85 -32.61 45.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.85 -50.27 37.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.355 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -54.33 -48.4 71.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.325 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -48.2 -41.15 26.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 0.0 111.025 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -109.44 50.29 0.79 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.58 ' O ' ' CD2' ' A' ' 91' ' ' HIS . . . -131.91 30.08 4.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.479 ' CB ' ' HA ' ' A' ' 90' ' ' PRO . 4.2 mtm180 -89.45 161.15 40.49 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.339 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.479 ' HA ' ' CB ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -75.03 177.58 38.46 Favored 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 120.976 -2.51 . . . . 0.0 111.012 0.025 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.58 ' CD2' ' O ' ' A' ' 88' ' ' ALA . 22.1 m170 -124.57 132.5 53.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.601 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.9 p -121.2 116.42 24.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.985 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.569 HD13 ' CD2' ' A' ' 47' ' ' TYR . 5.3 mm -130.7 146.17 34.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 22.7 t70 59.28 16.28 4.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 78.94 24.25 62.29 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.453 1.095 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.402 ' HD2' ' O ' ' A' ' 34' ' ' GLY . 0.0 OUTLIER -132.45 159.93 37.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 0.78 . . . . 0.0 110.3 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 74.6 t -84.35 107.89 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.509 ' CG1' ' O ' ' A' ' 34' ' ' GLY . 1.1 m -92.88 -168.45 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -157.6 108.97 1.82 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.105 . . . . 0.0 110.271 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.446 ' HG3' ' ND1' ' A' ' 91' ' ' HIS . 18.4 Cg_endo -75.0 141.12 26.25 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.432 1.754 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -134.17 177.67 7.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -101.58 164.32 11.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -122.38 56.51 1.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 18.9 m -127.13 160.02 36.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 62.76 108.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.331 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.43 154.04 45.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -121.27 155.36 34.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.272 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -175.89 147.45 0.78 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 110.269 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -158.84 170.26 22.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 110.004 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 158.59 98.6 0.14 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 24.2 p -150.42 150.65 31.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 0.779 . . . . 0.0 110.004 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 161.45 77.58 0.03 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 177.82 8.07 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.493 1.786 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 36.2 p -177.84 156.77 1.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.997 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.92 -59.01 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 0.0 110.01 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 179.984 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.8 m -157.88 161.6 38.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 0.745 . . . . 0.0 109.982 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.9 t -153.57 152.4 30.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 109.96 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.19 -102.45 0.18 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.6 t 61.21 112.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 0.781 . . . . 0.0 110.013 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.4 p -151.3 146.74 26.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.019 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.6 177.97 40.45 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.491 1.119 . . . . 0.0 110.989 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -150.06 -55.64 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.756 . . . . 0.0 111.021 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 63.24 106.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 110.316 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.08 135.08 48.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 70.0 p -134.68 132.84 39.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 0.0 110.426 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.61 173.72 11.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -84.04 137.08 33.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.327 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.0 m -94.79 112.3 24.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.382 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 32.6 m -138.26 153.73 73.28 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -47.37 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.554 1.818 . . . . 0.0 111.003 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.7 tt 72.0 -68.88 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.42 137.23 15.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.547 1.154 . . . . 0.0 110.283 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.38 66.04 9.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.0 mptt 56.54 79.77 0.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -136.75 116.99 13.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.0 mtm180 42.13 78.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.306 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -92.72 -53.88 3.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.577 1.173 . . . . 0.0 110.328 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -32.66 69.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -66.63 -57.62 6.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 110.293 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -65.6 -10.08 32.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.4 ' O ' ' CE ' ' A' ' 79' ' ' MET . 1.2 m-85 -82.44 -40.58 20.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.4 mtp85 -101.76 -8.24 21.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.277 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.572 ' HE2' ' CD1' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -86.06 114.86 23.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.419 ' CD2' HG21 ' A' ' 82' ' ' VAL . 1.1 mp -100.73 141.37 33.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.675 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 23.3 t80 -100.11 108.51 20.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 111.005 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.1 mm -87.05 129.43 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.5 128.03 6.0 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.464 1.102 . . . . 0.0 110.958 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.5 ' O ' ' CG1' ' A' ' 98' ' ' VAL . . . 102.41 68.83 0.81 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.403 HD23 ' C ' ' A' ' 34' ' ' GLY . 12.2 mt -107.7 0.89 22.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 0.763 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.537 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 2.0 t 63.28 10.5 4.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.984 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.537 ' CG ' ' C ' ' A' ' 36' ' ' SER . 3.1 m-85 74.62 -2.16 2.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 39' ' ' THR . 0.9 OUTLIER -94.83 -70.48 0.71 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 38' ' ' GLU . 0.9 OUTLIER -36.69 99.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.423 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 38' ' ' GLU . 37.6 p -78.63 -166.91 0.95 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 110.444 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -61.52 -55.04 35.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 45' ' ' ARG . 2.9 mt-10 -59.24 -63.75 1.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.1 m -39.77 -49.42 2.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 110.016 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.571 HD13 ' CE2' ' A' ' 48' ' ' TYR . 4.9 tp -59.83 -44.9 93.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.481 ' O ' ' N ' ' A' ' 49' ' ' GLU . 5.1 mtm180 -62.63 -58.18 8.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -42.35 -28.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.689 ' CD2' ' CD1' ' A' ' 93' ' ' ILE . 75.2 t80 -91.45 -47.4 7.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.571 ' CE2' HD13 ' A' ' 44' ' ' LEU . 20.5 m-85 -87.95 23.54 2.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 45' ' ' ARG . 1.8 mt-10 -99.52 -16.22 18.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -71.12 -61.13 1.88 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.657 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 13.6 m-90 -49.79 -45.3 49.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 107.98 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -170.78 170.43 43.15 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.55 1.156 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.15 120.65 29.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 0.77 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.426 ' O ' ' NH1' ' A' ' 45' ' ' ARG . 14.5 mt -77.28 116.04 17.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 75' ' ' THR . 33.9 p -74.01 -18.94 60.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.41 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -155.31 119.06 4.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 29.0 p -125.45 117.3 23.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 108.304 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.8 t -126.77 141.04 47.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 14.8 p -123.88 113.02 35.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.572 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 34.9 mmt -64.75 152.89 41.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.421 ' HA ' ' N ' ' A' ' 69' ' ' ARG . 33.9 mtt180 -140.1 159.18 42.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.467 ' CB ' ' HB2' ' A' ' 65' ' ' SER . 38.4 m-20 -67.06 128.08 93.72 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -20.66 16.53 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.479 1.778 . . . . 0.0 110.993 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -95.55 -43.26 8.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.467 ' HB2' ' CB ' ' A' ' 62' ' ' ASP . 0.3 OUTLIER -77.38 -44.87 27.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.007 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 76.32 32.57 0.58 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.4 mtt85 -115.08 -87.6 0.59 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.535 1.147 . . . . 0.0 110.26 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.69 149.36 20.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.0 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.421 ' N ' ' HA ' ' A' ' 61' ' ' ARG . 0.7 OUTLIER -91.52 -27.7 18.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.323 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.94 16.21 36.6 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.675 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 1.1 p90 -156.98 153.44 28.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 0.746 . . . . 0.0 110.962 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -160.6 -164.47 15.63 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.468 1.105 . . . . 0.0 110.988 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.572 ' CD1' ' HE2' ' A' ' 29' ' ' LYS . 4.5 m-85 -123.94 154.98 38.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 0.739 . . . . 0.0 111.025 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.477 ' CG1' ' CD2' ' A' ' 44' ' ' LEU . 18.1 m -144.28 108.07 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 55' ' ' THR . 3.2 m -94.58 106.74 18.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.385 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.528 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 24.5 m-85 -73.07 172.27 11.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.57 -34.32 27.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.005 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.56 171.9 10.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.03 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.468 ' HA ' ' CG1' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -88.1 -28.51 21.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.955 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.51 -63.81 1.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.432 ' OE1' ' CA ' ' A' ' 81' ' ' GLU . 0.5 OUTLIER -43.52 -61.91 1.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.085 . . . . 0.0 110.29 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.528 ' HB ' ' CD2' ' A' ' 76' ' ' PHE . 7.6 p -51.13 -47.36 32.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.15 -26.88 52.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.3 -61.1 1.89 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -42.66 -45.52 4.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.464 ' CE ' ' HB3' ' A' ' 102' ' ' ARG . 5.3 mtp -50.74 -50.51 55.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -96.93 50.32 1.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.432 1.083 . . . . 0.0 109.28 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -141.23 41.67 1.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.475 ' CZ ' ' HG3' ' A' ' 99' ' ' GLU . 5.7 mtp180 -92.1 156.67 41.93 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.463 ' C ' ' HA ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -75.0 -173.69 12.78 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 120.986 -2.506 . . . . 0.0 110.968 0.01 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.657 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 0.4 OUTLIER -128.53 112.69 14.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.597 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.459 ' O ' ' CE1' ' A' ' 47' ' ' TYR . 94.2 p -106.78 121.97 45.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.037 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.689 ' CD1' ' CD2' ' A' ' 47' ' ' TYR . 53.6 mt -133.1 125.21 51.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.8 t70 60.49 16.17 6.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.25 16.73 56.99 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.47 1.106 . . . . 0.0 110.976 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.491 ' HG3' ' CB ' ' A' ' 36' ' ' SER . 0.1 OUTLIER -109.73 140.51 43.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 0.779 . . . . 0.0 110.324 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 84.8 t -84.19 75.98 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.5 ' CG1' ' O ' ' A' ' 34' ' ' GLY . 2.5 m -72.9 160.39 5.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.475 ' HG3' ' CZ ' ' A' ' 89' ' ' ARG . 2.7 mt-10 -133.19 108.62 12.5 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.424 ' HG3' ' ND1' ' A' ' 91' ' ' HIS . 18.2 Cg_endo -74.96 150.34 38.21 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.529 1.805 . . . . 0.0 110.971 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp -135.4 145.62 47.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.52 ' NE ' ' CB ' ' A' ' 105' ' ' ALA . 7.3 ptp180 -66.42 -9.0 29.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 102' ' ' ARG . . . 84.27 -59.5 0.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.423 HG11 ' N ' ' A' ' 105' ' ' ALA . 96.7 t -61.93 -100.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.52 ' CB ' ' NE ' ' A' ' 102' ' ' ARG . . . 50.65 -176.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 4.9 ptt85 -51.04 152.2 2.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.308 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -55.61 150.98 11.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.309 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 110' ' ' GLY . 9.8 tt0 -141.94 126.95 18.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 27.3 t 62.24 -82.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 110.029 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 108' ' ' GLU . . . 155.38 -158.99 28.85 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.116 . . . . 0.0 110.986 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 52.6 p -154.9 -167.21 2.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 110.045 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -127.36 100.92 0.56 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.456 1.097 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 138.56 23.32 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.501 1.79 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.09 96.03 4.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.994 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.8 t -94.06 145.26 24.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.045 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.488 1.118 . . . . 0.0 110.979 -179.956 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.9 p 58.58 112.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 110.0 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.6 t -177.56 124.87 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.035 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.53 -59.32 0.57 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.478 1.111 . . . . 0.0 111.01 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 m -56.53 -58.4 8.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 0.759 . . . . 0.0 110.032 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 t -46.83 147.54 1.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 110.018 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.59 -157.77 7.29 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.469 1.106 . . . . 0.0 111.027 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.5 159.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 0.0 110.971 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -173.81 -59.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.256 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.8 mttt -116.63 150.48 38.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.339 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.9 t -86.82 49.27 1.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 110.428 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.9 tp -161.34 89.53 0.77 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -84.76 58.32 4.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 110.274 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 58.2 p -131.11 86.87 2.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.404 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.5 m -70.25 155.42 93.47 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 159.8 40.81 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.501 1.79 . . . . 0.0 111.019 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 pp -125.36 126.55 45.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -164.72 76.48 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.268 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.1 ttt180 -178.2 168.32 1.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.26 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.17 63.81 0.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 22' ' ' ARG . 0.9 OUTLIER -129.64 113.86 15.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 21' ' ' LYS . 1.2 mpt_? 38.96 83.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.47 ' O ' ' CD1' ' A' ' 27' ' ' PHE . 1.7 mt-10 -93.74 -58.22 2.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.287 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.21 -21.63 62.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -77.81 -64.71 1.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -57.58 -18.84 21.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 110.327 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.47 ' CD1' ' O ' ' A' ' 23' ' ' GLU . 1.8 m-85 -70.87 -43.84 67.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.55 -10.73 26.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.264 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.3 tttt -93.4 114.68 27.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.4 HD13 ' CG2' ' A' ' 82' ' ' VAL . 8.3 mp -104.87 165.59 10.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.646 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 18.9 t80 -120.24 110.6 16.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 111.032 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.527 HD12 ' CE1' ' A' ' 48' ' ' TYR . 10.2 mm -82.87 126.03 40.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.36 118.35 2.78 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.407 ' O ' ' CG1' ' A' ' 98' ' ' VAL . . . 121.72 33.15 0.95 Allowed Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.528 ' CD1' ' N ' ' A' ' 35' ' ' LEU . 2.1 mp -76.67 -1.36 27.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 0.786 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.566 ' O ' ' CD2' ' A' ' 37' ' ' PHE . 3.3 t 57.7 15.38 2.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.097 . . . . 0.0 110.0 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.566 ' CD2' ' O ' ' A' ' 36' ' ' SER . 4.1 m-85 74.83 -2.26 2.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 40' ' ' THR . 0.8 OUTLIER -97.13 -67.93 0.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.456 ' CG2' ' HB2' ' A' ' 44' ' ' LEU . 1.0 OUTLIER -37.86 96.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.399 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 38' ' ' GLU . 33.2 p -78.67 -167.23 1.04 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 110.421 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.474 ' HG2' ' CG1' ' A' ' 59' ' ' VAL . 22.3 mt-10 -59.09 -54.57 45.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.345 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 43' ' ' SER . 6.2 tt0 -62.85 -64.82 0.8 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 42' ' ' GLU . 16.4 m -38.0 -48.17 1.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 109.953 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.48 ' CD1' HG23 ' A' ' 32' ' ' ILE . 4.7 tp -60.26 -53.08 61.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.477 ' O ' ' N ' ' A' ' 49' ' ' GLU . 80.5 mtm180 -57.59 -48.77 78.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.33 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -45.07 -28.42 0.71 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.148 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.691 ' CD2' ' CD1' ' A' ' 93' ' ' ILE . 65.1 t80 -94.38 -44.65 7.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.527 ' CE1' HD12 ' A' ' 32' ' ' ILE . 36.4 m-85 -86.94 22.14 2.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 45' ' ' ARG . 2.9 mt-10 -99.44 -31.87 11.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 0.0 110.311 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.41 ' HG2' ' N ' ' A' ' 51' ' ' TRP . 1.6 pt20 -64.82 -30.99 72.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.249 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.678 ' CZ3' ' CE1' ' A' ' 91' ' ' HIS . 8.3 m0 -79.8 -42.81 23.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 107.997 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.08 160.87 29.95 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.55 1.156 . . . . 0.0 111.002 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.12 116.35 22.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 0.799 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.8 mt -76.89 102.34 6.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.407 ' N ' ' O ' ' A' ' 75' ' ' THR . 26.1 p -64.52 -13.15 51.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.389 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -153.45 111.15 3.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 46.0 t -126.31 120.43 29.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 108.308 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 12.2 t -128.76 143.66 40.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.474 ' CG1' ' HG2' ' A' ' 41' ' ' GLU . 13.9 p -124.44 112.69 33.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.264 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.578 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 34.9 mmt -66.88 150.54 49.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.98 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.433 ' HA ' ' N ' ' A' ' 69' ' ' ARG . 20.0 mtt180 -140.34 128.2 21.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 110.263 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.496 ' CB ' ' HB2' ' A' ' 65' ' ' SER . 29.4 m-20 -40.15 120.16 1.52 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.16 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -18.24 18.72 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.47 1.774 . . . . 0.0 110.972 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -94.66 -46.67 6.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.496 ' HB2' ' CB ' ' A' ' 62' ' ' ASP . 4.0 m -80.46 -48.5 12.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.996 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 62' ' ' ASP . 0.7 OUTLIER 76.46 31.99 0.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 0.0 109.243 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 68' ' ' SER . 9.3 mtp-105 -129.35 49.69 2.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.262 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 67' ' ' ARG . 18.6 m 60.72 145.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 110.005 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.454 ' NE ' ' OD1' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -92.66 -28.95 16.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.291 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 98.34 21.72 16.61 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.646 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -160.94 151.63 18.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 0.788 . . . . 0.0 110.976 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -154.74 -160.44 9.87 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.486 1.117 . . . . 0.0 110.978 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -131.47 148.23 52.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.774 . . . . 0.0 110.981 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.415 HG21 ' CD1' ' A' ' 32' ' ' ILE . 21.8 m -130.25 120.88 50.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.255 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 55' ' ' THR . 6.9 m -107.04 98.13 7.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.367 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.549 ' CD1' ' HB ' ' A' ' 82' ' ' VAL . 65.2 m-85 -65.44 167.88 8.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 111.059 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.5 t -83.14 -46.82 12.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.3 p -115.05 164.23 14.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.043 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.18 -25.06 51.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.09 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.1 -65.58 0.66 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 109.261 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.443 ' O ' ' CB ' ' A' ' 84' ' ' ALA . 81.3 mt-10 -40.79 -62.48 0.79 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.549 ' HB ' ' CD1' ' A' ' 76' ' ' PHE . 7.6 p -48.75 -51.18 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.82 -27.67 13.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' A' ' 81' ' ' GLU . . . -68.87 -65.75 0.66 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.416 ' HB2' ' CE3' ' A' ' 51' ' ' TRP . . . -45.01 -42.85 8.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.2 mtp -52.15 -45.36 64.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 110.978 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -105.8 51.31 0.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -142.82 30.08 1.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.449 ' HA ' ' C ' ' A' ' 90' ' ' PRO . 2.3 mtm180 -84.54 159.18 59.02 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.469 1.106 . . . . 0.0 110.272 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.449 ' C ' ' HA ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -75.0 -178.6 23.95 Favored 'Cis proline' 0 C--N 1.361 1.184 0 C-N-CA 121.023 -2.49 . . . . 0.0 110.967 0.033 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.678 ' CE1' ' CZ3' ' A' ' 51' ' ' TRP . 8.0 m170 -118.47 118.83 32.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.601 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.601 ' O ' ' CE1' ' A' ' 47' ' ' TYR . 79.5 p -109.75 117.58 34.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.015 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.691 ' CD1' ' CD2' ' A' ' 47' ' ' TYR . 7.2 mt -137.24 134.22 47.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 57.03 25.74 11.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 74.43 23.44 75.52 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.57 1.169 . . . . 0.0 111.025 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.468 ' HG3' ' CB ' ' A' ' 36' ' ' SER . 0.0 OUTLIER -117.4 144.95 44.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 0.783 . . . . 0.0 110.333 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 83.6 t -86.37 74.77 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.407 ' CG1' ' O ' ' A' ' 34' ' ' GLY . 1.7 m -72.68 168.55 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.407 ' HB3' ' NH1' ' A' ' 89' ' ' ARG . 2.7 pt-20 -151.06 113.81 3.11 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.43 ' HG3' ' ND1' ' A' ' 91' ' ' HIS . 18.3 Cg_endo -75.06 162.94 36.17 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.532 1.806 . . . . 0.0 110.964 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -139.9 155.7 47.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -57.65 -35.92 71.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.566 1.166 . . . . 0.0 110.321 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.409 ' HB3' ' N ' ' A' ' 31' ' ' PHE . . . 72.58 52.9 0.16 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.1 . . . . 0.0 109.345 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 31.0 m -118.43 171.93 6.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 109.273 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.94 83.64 6.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.76 138.97 52.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.342 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 49.57 83.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -140.84 168.95 18.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 110.331 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.0 110.66 7.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 109.991 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -153.91 118.68 0.88 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.7 m -68.28 -58.78 3.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.759 . . . . 0.0 110.015 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 62.2 -177.07 5.81 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.515 1.135 . . . . 0.0 110.987 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 146.9 33.21 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.502 1.79 . . . . 0.0 110.977 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.0 t -132.67 146.05 51.56 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.44 1.088 . . . . 0.0 109.997 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.6 t -133.86 161.34 35.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.0 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.945 0 O-C-N 124.45 1.094 . . . . 0.0 111.014 179.976 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.38 157.66 4.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 0.74 . . . . 0.0 109.991 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.2 p -168.46 166.3 12.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.974 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.73 -142.29 5.74 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.457 1.098 . . . . 0.0 111.011 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.54 159.04 0.86 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 0.787 . . . . 0.0 109.983 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -128.36 168.28 15.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.964 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.52 120.99 1.18 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.441 ' N ' ' SD ' ' A' ' 8' ' ' MET . 0.3 OUTLIER -173.46 158.8 3.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 0.745 . . . . 0.0 111.037 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 179.68 -43.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 110.322 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 63.81 142.33 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.9 t -140.84 63.44 1.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.386 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.7 mt -156.78 129.15 7.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.21 -65.83 1.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 60.41 104.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 110.402 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 23.7 m -43.6 142.39 1.85 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 164.97 32.3 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.524 1.802 . . . . 0.0 110.996 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 mt -140.33 159.48 42.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.259 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -152.35 168.37 25.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -179.79 87.68 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -130.27 171.05 13.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.44 -55.59 1.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.61 104.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 110.29 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -94.79 -6.24 43.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.305 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.91 -22.83 33.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.315 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 29' ' ' LYS . 6.0 mt-10 -85.06 -55.16 4.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.343 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -38.61 -29.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.488 ' O ' ' CE ' ' A' ' 79' ' ' MET . 1.8 m-30 -52.24 -53.65 41.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.454 ' HG3' ' CG2' ' A' ' 75' ' ' THR . 0.1 OUTLIER -116.04 5.29 13.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 25' ' ' GLU . 0.1 OUTLIER -89.31 113.42 24.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.491 ' CD2' ' SD ' ' A' ' 86' ' ' MET . 6.1 mp -103.97 140.48 37.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.756 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 17.2 t80 -98.38 112.26 24.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 111.031 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.475 HD11 ' CZ ' ' A' ' 48' ' ' TYR . 9.5 mm -83.94 135.95 23.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.82 149.96 18.39 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.441 1.088 . . . . 0.0 111.022 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.412 ' C ' HD22 ' A' ' 35' ' ' LEU . . . 60.37 84.1 0.05 OUTLIER Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.046 -0.821 . . . . 0.0 111.046 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.451 HD23 ' CG2' ' A' ' 32' ' ' ILE . 7.3 mt -104.26 0.96 29.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 0.782 . . . . 0.0 109.261 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.554 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 0.5 OUTLIER 74.63 1.8 3.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.973 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.554 ' CG ' ' C ' ' A' ' 36' ' ' SER . 2.8 m-85 75.54 -2.3 2.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.1 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 39' ' ' THR . 52.9 mt-10 -108.14 -59.77 1.81 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 38' ' ' GLU . 1.8 m -36.44 100.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.389 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 69.8 p -78.06 -165.64 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.377 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -63.79 -51.0 66.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 110.323 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.449 ' C ' ' N ' ' A' ' 44' ' ' LEU . 49.2 tt0 -64.42 -64.46 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 42' ' ' GLU . 14.8 m -38.93 -30.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.032 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.449 ' N ' ' C ' ' A' ' 42' ' ' GLU . 11.0 tp -79.87 -62.43 1.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.472 ' O ' ' N ' ' A' ' 49' ' ' GLU . 4.3 mtp180 -50.23 -42.34 51.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.273 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -47.14 -30.31 2.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.351 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.572 ' CE2' HD12 ' A' ' 93' ' ' ILE . 83.3 t80 -94.05 -42.09 9.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 111.036 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.475 ' CZ ' HD11 ' A' ' 32' ' ' ILE . 37.4 m-85 -87.55 21.66 2.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.957 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 45' ' ' ARG . 2.1 mt-10 -99.0 -31.24 11.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.15 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.408 ' CD ' ' O ' ' A' ' 47' ' ' TYR . 1.1 pt20 -63.92 -34.99 79.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 110.344 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.65 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 5.6 m-90 -77.25 -45.77 25.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 107.986 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -171.81 160.88 32.83 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.141 . . . . 0.0 110.999 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.28 118.0 23.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.49 HD21 ' CE1' ' A' ' 76' ' ' PHE . 14.0 mt -74.8 99.32 3.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 75' ' ' THR . 69.9 p -45.52 -26.36 0.57 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.093 . . . . 0.0 110.433 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -160.87 132.23 5.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.34 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 6.4 t -128.46 131.76 48.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 108.322 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.416 HG13 ' N ' ' A' ' 59' ' ' VAL . 4.9 t -133.99 139.86 47.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.416 ' N ' HG13 ' A' ' 58' ' ' VAL . 10.3 p -122.99 112.55 34.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.57 ' HG3' ' CE1' ' A' ' 71' ' ' PHE . 32.3 mmt -65.8 153.45 41.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.408 ' HA ' ' N ' ' A' ' 69' ' ' ARG . 10.8 mtt180 -140.19 142.64 35.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 110.269 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -40.3 125.34 1.74 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 0.0 109.268 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -15.74 20.65 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.498 1.788 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -102.65 -43.4 5.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.7 -31.12 41.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 110.034 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.35 42.15 15.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.082 . . . . 0.0 109.256 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 45.6 mtt-85 -123.68 -79.25 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 110.275 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.2 p -159.44 144.01 15.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.998 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.408 ' N ' ' HA ' ' A' ' 61' ' ' ARG . 2.1 mtm180 -94.32 -40.39 9.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.31 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 109.14 19.52 8.45 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.458 1.098 . . . . 0.0 110.996 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.756 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 1.1 p90 -160.35 151.41 19.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 0.743 . . . . 0.0 111.012 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -155.67 -158.74 8.95 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.512 1.132 . . . . 0.0 111.042 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -131.77 151.72 51.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 0.749 . . . . 0.0 111.016 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.448 ' CG1' HD12 ' A' ' 54' ' ' LEU . 15.9 m -140.62 111.75 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.454 ' CG2' ' HG3' ' A' ' 28' ' ' ARG . 4.3 m -100.16 112.9 25.22 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.106 . . . . 0.0 110.387 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.49 ' CE1' HD21 ' A' ' 54' ' ' LEU . 25.0 m-85 -78.86 167.2 21.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 110.977 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.39 -39.97 18.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.023 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.2 t -115.55 156.66 25.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.027 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.488 ' CE ' ' O ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -82.75 -11.43 58.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 111.011 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -80.22 -46.0 17.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.127 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -60.44 -52.49 65.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.273 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.418 ' CG1' ' HA ' ' A' ' 79' ' ' MET . 7.4 p -53.57 -51.57 41.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.0 -32.21 20.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.64 -64.99 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -41.85 -47.66 4.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.26 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.491 ' SD ' ' CD2' ' A' ' 30' ' ' LEU . 93.0 mmm -49.76 -54.4 19.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 111.023 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -92.97 50.59 1.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -144.13 37.48 1.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.474 ' CB ' ' HA ' ' A' ' 90' ' ' PRO . 2.0 mtm180 -90.22 160.7 39.41 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.283 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.474 ' HA ' ' CB ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -75.02 -177.13 19.64 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.985 -2.506 . . . . 0.0 111.018 0.053 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.65 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 3.8 m170 -121.56 110.16 15.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.593 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.485 ' HA ' ' O ' ' A' ' 96' ' ' ARG . 94.1 p -101.56 126.2 48.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.967 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.572 HD12 ' CE2' ' A' ' 47' ' ' TYR . 10.7 mm -131.91 120.67 45.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.58 15.17 5.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 93.95 14.28 52.51 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.485 ' O ' ' HA ' ' A' ' 92' ' ' SER . 0.6 OUTLIER -105.98 139.74 40.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 0.761 . . . . 0.0 110.313 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 89.3 t -84.63 76.72 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.337 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 1.8 m -71.9 165.0 3.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 109.32 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -134.35 108.16 11.23 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.261 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.431 ' HG3' ' ND1' ' A' ' 91' ' ' HIS . 18.3 Cg_endo -75.02 157.57 42.61 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.55 1.816 . . . . 0.0 111.026 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -143.56 156.95 44.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.499 ' O ' ' CB ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -68.7 -34.34 75.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.261 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 102' ' ' ARG . . . 84.1 24.41 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.15 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 33.3 m -98.5 -174.77 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 67.93 110.78 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.28 -68.57 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 64.74 133.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.318 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -146.31 98.18 3.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 110.341 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -84.23 165.09 18.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.004 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -131.35 -156.05 8.34 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.476 1.11 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 37.9 p -146.51 141.51 27.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 0.79 . . . . 0.0 109.99 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 143.69 157.41 7.16 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.472 1.107 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 169.54 22.41 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.497 1.788 . . . . 0.0 110.985 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.4 -59.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.014 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.6 158.89 0.84 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.991 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 O-C-N 124.49 1.119 . . . . 0.0 111.032 -179.998 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -133.17 113.24 12.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.466 HD13 ' CG2' ' A' ' 82' ' ' VAL . 9.2 mp -106.24 138.79 41.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.799 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 16.4 t80 -96.62 112.37 24.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.951 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.68 HG22 HD21 ' A' ' 35' ' ' LEU . 9.1 mm -84.41 128.06 39.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.85 134.32 11.0 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.523 1.14 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.96 74.16 1.11 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.68 HD21 HG22 ' A' ' 32' ' ' ILE . 6.1 mt -95.85 -4.76 43.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 0.793 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.531 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER 81.15 -7.77 1.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.993 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.608 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 0.5 OUTLIER 75.22 -2.17 2.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.4 ' CB ' ' OD2' ' A' ' 94' ' ' ASP . 0.5 OUTLIER -111.41 4.12 18.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 110.3 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.413 ' CG2' ' HB2' ' A' ' 44' ' ' LEU . 1.1 m -106.14 109.79 21.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 110.421 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 24.7 p -81.94 178.68 8.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.429 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.484 ' CG ' HG12 ' A' ' 59' ' ' VAL . 82.8 mt-10 -53.72 -52.75 59.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -62.41 -64.04 1.05 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 110.317 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.5 m -39.86 -37.35 0.55 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 110.01 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.503 HD21 ' CG1' ' A' ' 74' ' ' VAL . 1.3 tp -72.64 -57.9 3.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.839 ' HG2' HD12 ' A' ' 54' ' ' LEU . 12.2 mtp180 -49.09 -43.52 41.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 110.265 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -47.89 -24.72 1.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.655 ' CD2' HD11 ' A' ' 93' ' ' ILE . 33.0 t80 -92.82 -47.69 6.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.534 ' HB2' HD11 ' A' ' 54' ' ' LEU . 51.3 m-85 -89.1 24.42 2.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 45' ' ' ARG . 2.5 mt-10 -98.95 -18.47 17.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.305 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -72.92 -61.48 1.8 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 110.328 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.641 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 7.3 m-90 -49.99 -41.08 46.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 108.021 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.54 160.91 29.61 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.501 1.125 . . . . 0.0 110.958 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.56 124.62 30.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 0.74 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.839 HD12 ' HG2' ' A' ' 45' ' ' ARG . 20.4 mt -79.27 117.76 20.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 75' ' ' THR . 22.4 p -72.17 -18.07 61.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.374 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -160.32 123.01 3.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 26.2 p -128.09 119.04 24.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 108.288 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.0 t -120.78 139.03 49.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.484 HG12 ' CG ' ' A' ' 41' ' ' GLU . 13.7 p -124.37 113.58 37.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.575 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 34.1 mmt -67.75 141.75 56.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.2 mtm105 -119.78 143.75 47.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.471 ' CB ' ' HB2' ' A' ' 65' ' ' SER . 30.1 m-20 -42.21 125.96 2.77 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -10.27 21.2 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.483 1.781 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -110.91 -42.19 4.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.471 ' HB2' ' CB ' ' A' ' 62' ' ' ASP . 0.5 OUTLIER -81.49 -35.54 30.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.028 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 62' ' ' ASP . 2.2 mmtp 65.8 42.35 3.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.1 mmt85 -126.73 -77.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.319 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.5 m -155.81 133.07 10.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.024 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.23 -35.81 23.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 103.43 19.18 12.73 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.482 1.114 . . . . 0.0 111.031 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.799 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -160.12 148.22 16.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 0.744 . . . . 0.0 110.99 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -156.85 -157.57 8.43 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.494 1.121 . . . . 0.0 111.025 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -132.27 143.69 50.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.57 HG21 HD11 ' A' ' 32' ' ' ILE . 3.7 m -124.84 115.53 44.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 55' ' ' THR . 2.5 m -102.06 104.88 15.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 110.4 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.534 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 13.4 m-85 -70.48 171.04 10.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.2 t -84.71 -39.97 17.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.01 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.95 164.44 19.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 0.0 110.01 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.403 ' HA ' ' CG1' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -80.47 -14.33 58.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.97 -58.19 3.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.257 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.401 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 3.7 mp0 -48.22 -57.87 5.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.534 ' HB ' ' CD2' ' A' ' 76' ' ' PHE . 7.5 p -50.04 -45.74 23.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.352 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.41 -38.55 69.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 81' ' ' GLU . . . -67.28 -40.11 86.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.24 -34.61 76.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.419 ' HG2' HD21 ' A' ' 30' ' ' LEU . 0.7 OUTLIER -62.86 -41.7 99.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 111.006 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -98.76 49.75 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.577 ' O ' ' CD2' ' A' ' 91' ' ' HIS . . . -141.61 52.29 1.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.487 ' HA ' ' C ' ' A' ' 90' ' ' PRO . 12.6 mtm105 -109.63 158.38 34.92 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.334 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.487 ' C ' ' HA ' ' A' ' 89' ' ' ARG . 18.1 Cg_endo -75.04 -172.3 10.6 Favored 'Cis proline' 0 C--N 1.361 1.191 0 C-N-CA 120.968 -2.513 . . . . 0.0 110.965 0.018 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.641 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 4.2 m170 -125.87 124.45 40.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.582 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.0 p -118.17 117.22 28.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.067 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.655 HD11 ' CD2' ' A' ' 47' ' ' TYR . 15.0 mt -136.91 145.1 30.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.4 ' OD2' ' CB ' ' A' ' 38' ' ' GLU . 5.2 t0 63.26 13.42 6.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.15 17.5 69.32 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.496 1.123 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.44 ' HD2' HG12 ' A' ' 98' ' ' VAL . 0.0 OUTLIER -125.25 161.36 27.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 0.759 . . . . 0.0 110.249 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 60.1 t -91.41 111.81 24.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.499 HG23 ' N ' ' A' ' 99' ' ' GLU . 1.1 m -99.22 -172.82 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.499 ' N ' HG23 ' A' ' 98' ' ' VAL . 0.1 OUTLIER -158.43 109.31 1.67 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.263 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 161.52 38.55 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.487 1.783 . . . . 0.0 111.032 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.87 155.77 45.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 110.286 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.405 ' O ' ' HA ' ' A' ' 75' ' ' THR . 1.2 mpp_? . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.989 ' C ' HD13 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -140.88 119.23 12.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 1.001 HD21 HG23 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -116.44 148.4 40.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.796 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 14.1 t80 -96.75 105.27 17.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.967 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.66 HG22 HD21 ' A' ' 35' ' ' LEU . 7.9 mm -79.35 131.48 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.11 136.87 9.82 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.466 1.104 . . . . 0.0 111.034 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.448 ' C ' HD23 ' A' ' 35' ' ' LEU . . . 83.88 68.29 1.42 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.66 HD21 HG22 ' A' ' 32' ' ' ILE . 4.6 mt -95.58 -1.77 49.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 0.769 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.559 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER 79.97 -1.35 2.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.985 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.559 ' CG ' ' C ' ' A' ' 36' ' ' SER . 2.4 m-85 75.7 -2.35 2.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 40' ' ' THR . 0.1 OUTLIER -105.1 -62.32 1.36 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.517 HG22 ' O ' ' A' ' 39' ' ' THR . 0.9 OUTLIER -39.05 97.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.362 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.438 ' N ' ' O ' ' A' ' 38' ' ' GLU . 73.1 p -73.95 -173.62 1.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.363 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -53.38 -54.63 33.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.322 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 45' ' ' ARG . 5.7 tt0 -61.68 -63.49 1.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.265 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.9 m -43.06 -31.55 0.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.012 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.575 HD13 HD13 ' A' ' 35' ' ' LEU . 0.9 OUTLIER -79.64 -43.92 21.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.338 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.829 ' HG2' HD12 ' A' ' 54' ' ' LEU . 26.8 mtm180 -63.13 -48.17 79.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -47.89 -24.54 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.421 1.076 . . . . 0.0 109.321 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.536 ' CE1' ' O ' ' A' ' 92' ' ' SER . 26.8 t80 -88.26 -52.79 5.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.961 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.609 ' HB2' HD11 ' A' ' 54' ' ' LEU . 50.5 m-85 -89.1 28.19 1.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 45' ' ' ARG . 2.0 mt-10 -99.31 -19.64 16.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.098 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -72.0 -61.22 1.86 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.278 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.638 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 6.2 m-90 -50.15 -43.4 52.08 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -174.6 157.87 25.61 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 0.0 111.034 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.84 121.96 25.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 0.787 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.829 HD12 ' HG2' ' A' ' 45' ' ' ARG . 37.4 mt -73.71 109.49 7.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 75' ' ' THR . 16.5 p -71.86 -15.27 62.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.387 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -158.97 111.15 2.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.412 ' O ' ' SG ' ' A' ' 57' ' ' CYS . 14.1 p -128.27 125.6 39.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 108.315 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.4 t -130.82 141.57 45.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.471 HG13 ' O ' ' A' ' 59' ' ' VAL . 13.6 p -119.81 114.17 43.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.584 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 33.8 mmt -69.18 146.65 52.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 64.6 mtt180 -128.34 134.94 48.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.286 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.462 ' CB ' ' HB2' ' A' ' 65' ' ' SER . 10.4 m-20 -40.75 130.86 1.85 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -8.3 19.91 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.508 1.793 . . . . 0.0 111.032 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -113.13 -40.35 3.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.462 ' HB2' ' CB ' ' A' ' 62' ' ' ASP . 0.6 OUTLIER -85.67 -37.07 19.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.945 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER 59.06 26.95 15.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 68' ' ' SER . 20.5 mtt180 -128.17 61.5 1.45 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 110.305 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 67' ' ' ARG . 15.5 m 61.44 129.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 110.001 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.03 -36.31 19.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 34' ' ' GLY . . . 113.68 17.36 7.53 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.426 1.079 . . . . 0.0 110.975 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.796 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -159.38 148.41 18.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 0.775 . . . . 0.0 110.988 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -155.75 -163.34 12.1 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -125.24 146.11 49.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 0.745 . . . . 0.0 111.03 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.464 ' CG1' HD21 ' A' ' 44' ' ' LEU . 18.9 m -131.6 120.59 45.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 55' ' ' THR . 1.7 m -112.78 111.57 22.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.386 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -78.55 172.92 12.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.22 -46.36 11.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.98 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.5 m -111.54 155.75 22.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.984 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.497 ' HA ' ' CG1' ' A' ' 82' ' ' VAL . 34.0 tpp -79.25 -11.69 59.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.983 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.89 -51.96 11.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.558 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 7.9 mm-40 -56.25 -56.26 23.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 110.286 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 1.001 HG23 HD21 ' A' ' 30' ' ' LEU . 7.4 p -48.33 -48.28 13.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.405 ' N ' HG13 ' A' ' 82' ' ' VAL . 0.2 OUTLIER -56.73 -27.41 59.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.284 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' A' ' 81' ' ' GLU . . . -76.76 -58.54 3.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -51.62 -42.28 61.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -54.05 -48.36 70.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -101.18 48.65 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.503 ' O ' ' CD2' ' A' ' 91' ' ' HIS . . . -130.71 41.11 3.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.506 ' CB ' ' HA ' ' A' ' 90' ' ' PRO . 4.9 mtm180 -91.3 161.14 35.59 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.246 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.506 ' HA ' ' CB ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -74.99 178.85 32.87 Favored 'Cis proline' 0 C--N 1.36 1.14 0 C-N-CA 121.021 -2.491 . . . . 0.0 111.003 -0.027 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.638 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 8.4 m170 -128.2 120.22 26.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.551 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.536 ' O ' ' CE1' ' A' ' 47' ' ' TYR . 14.5 p -115.34 119.21 35.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.038 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.528 HG12 ' CE1' ' A' ' 47' ' ' TYR . 16.3 mt -134.99 147.74 29.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.571 1.169 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.441 ' OD2' ' N ' ' A' ' 39' ' ' THR . 0.4 OUTLIER 62.65 14.27 7.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 88.18 -4.85 85.37 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.451 ' NH2' ' OE2' ' A' ' 99' ' ' GLU . 7.2 ptm180 -105.3 168.36 9.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 0.792 . . . . 0.0 110.275 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 61.0 t -97.54 104.41 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.44 HG23 ' N ' ' A' ' 99' ' ' GLU . 1.2 m -85.45 -175.1 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.137 . . . . 0.0 109.339 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.451 ' OE2' ' NH2' ' A' ' 96' ' ' ARG . 2.0 pm0 -158.77 109.97 1.61 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.169 . . . . 0.0 110.277 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.51 ' O ' ' CD ' ' A' ' 101' ' ' LYS . 18.2 Cg_endo -75.07 158.92 41.68 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.486 1.782 . . . . 0.0 110.971 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.51 ' CD ' ' O ' ' A' ' 100' ' ' PRO . 0.1 OUTLIER -143.49 168.89 18.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 179.932 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.35 118.11 34.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.641 HD13 ' CG2' ' A' ' 82' ' ' VAL . 8.4 mp -107.61 124.02 49.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.785 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 9.6 t80 -86.87 109.65 19.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.538 HG22 HD21 ' A' ' 35' ' ' LEU . 6.3 mm -84.47 133.82 28.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.66 134.89 10.19 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.512 1.132 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.459 ' C ' HD23 ' A' ' 35' ' ' LEU . . . 79.48 76.01 0.99 Allowed Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.538 HD21 HG22 ' A' ' 32' ' ' ILE . 3.7 mt -98.45 2.34 47.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 0.769 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.551 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 78.03 0.34 2.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.032 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.551 ' CG ' ' C ' ' A' ' 36' ' ' SER . 1.9 m-85 75.67 -2.33 2.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 39' ' ' THR . 0.1 OUTLIER -106.12 -64.93 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 110.33 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.45 HG22 ' O ' ' A' ' 39' ' ' THR . 0.9 OUTLIER -37.66 99.5 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 0.0 110.428 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.4 ' N ' ' O ' ' A' ' 38' ' ' GLU . 60.3 p -77.34 -164.79 0.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.435 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -61.18 -54.24 46.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.083 . . . . 0.0 110.306 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 45' ' ' ARG . 3.2 mt-10 -59.68 -66.58 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.271 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.8 m -40.14 -33.31 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.994 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.816 HD21 ' CG1' ' A' ' 74' ' ' VAL . 9.2 tp -70.94 -51.14 27.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.5 OUTLIER -58.39 -52.54 65.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.311 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -43.16 -27.7 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.628 ' CD2' HD11 ' A' ' 93' ' ' ILE . 40.1 t80 -92.59 -46.46 7.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 111.047 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.504 ' OH ' HD12 ' A' ' 32' ' ' ILE . 21.4 m-85 -88.59 23.83 2.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.585 1.178 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 45' ' ' ARG . 2.1 mt-10 -99.48 -27.99 13.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.407 ' CD ' ' O ' ' A' ' 47' ' ' TYR . 1.9 pt20 -70.94 -14.24 62.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 110.302 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.643 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 8.9 m0 -98.17 -35.54 10.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 108.019 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 175.06 162.5 26.57 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.44 1.088 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.78 124.55 29.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.776 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.475 HD11 ' CB ' ' A' ' 48' ' ' TYR . 24.1 mt -82.64 109.93 17.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 17.8 p -74.84 -9.34 58.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 0.0 110.426 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -160.51 112.78 1.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.087 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 24.6 p -126.59 119.04 26.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 108.291 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.4 t -128.45 139.64 51.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.457 HG13 ' O ' ' A' ' 59' ' ' VAL . 14.7 p -124.38 114.66 41.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.577 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 34.9 mmt -67.27 147.39 53.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 0.0 111.008 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 41.1 mtt180 -126.41 142.68 51.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 110.29 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 66' ' ' LYS . 2.8 t70 -49.6 128.77 19.11 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -13.69 21.39 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.44 1.758 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -105.13 -40.37 5.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.81 -34.65 26.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.019 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER 61.11 40.15 15.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -125.3 -74.81 0.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.323 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.6 t -164.45 132.79 3.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 110.042 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.49 -43.89 22.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 34' ' ' GLY . . . 113.93 19.3 6.47 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.545 1.153 . . . . 0.0 110.976 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.785 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 0.4 OUTLIER -158.03 147.99 20.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 0.803 . . . . 0.0 111.044 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -155.56 -158.75 8.94 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 4.1 m-85 -131.6 145.11 51.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 0.78 . . . . 0.0 110.966 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.816 ' CG1' HD21 ' A' ' 44' ' ' LEU . 17.0 m -131.33 111.79 20.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.6 m -100.75 111.67 23.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.374 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.492 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 36.8 m-85 -77.41 170.06 17.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.977 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 t -81.16 -46.48 14.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.993 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.64 157.36 24.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.006 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.83 -16.82 61.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 111.049 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.72 -58.71 3.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.618 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 1.0 OUTLIER -46.83 -59.61 2.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.333 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.641 ' CG2' HD13 ' A' ' 30' ' ' LEU . 6.6 p -47.61 -48.87 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.405 ' N ' HG13 ' A' ' 82' ' ' VAL . 1.3 t70 -53.23 -34.68 58.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.618 ' HB3' ' O ' ' A' ' 81' ' ' GLU . . . -62.4 -61.56 2.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -44.07 -42.17 6.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.137 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.419 ' HG2' HD21 ' A' ' 30' ' ' LEU . 1.2 mtp -57.3 -40.81 78.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . -102.55 46.61 0.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.422 ' O ' ' CD2' ' A' ' 91' ' ' HIS . . . -142.86 41.13 1.54 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.102 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.503 ' CB ' ' HA ' ' A' ' 90' ' ' PRO . 14.6 mtm180 -96.0 160.92 28.94 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.503 ' HA ' ' CB ' ' A' ' 89' ' ' ARG . 18.2 Cg_endo -75.08 -173.15 11.83 Favored 'Cis proline' 0 C--N 1.359 1.13 0 C-N-CA 121.008 -2.497 . . . . 0.0 110.942 0.038 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.643 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 17.0 m170 -123.89 123.52 40.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.591 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.6 ' O ' ' CE1' ' A' ' 47' ' ' TYR . 6.2 p -119.54 116.97 27.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.049 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.628 HD11 ' CD2' ' A' ' 47' ' ' TYR . 15.5 mt -137.09 145.94 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 64.48 12.51 7.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.73 19.8 65.01 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.563 1.165 . . . . 0.0 111.002 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.479 ' CZ ' ' HB2' ' A' ' 96' ' ' ARG . 0.0 OUTLIER -130.31 157.26 43.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 0.742 . . . . 0.0 110.299 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 40.5 t -85.51 113.25 23.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.428 HG23 ' N ' ' A' ' 99' ' ' GLU . 1.5 m -97.45 -172.77 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.428 ' N ' HG23 ' A' ' 98' ' ' VAL . 0.0 OUTLIER -156.0 108.98 2.11 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 110.311 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 159.41 41.38 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.463 1.77 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -138.48 137.78 37.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.132 . . . . 0.0 110.336 -179.977 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 71.6 mtt180 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.47 113.78 22.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.581 HD13 ' CG2' ' A' ' 82' ' ' VAL . 6.8 mp -106.41 134.24 49.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.798 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 25.0 t80 -96.42 108.86 21.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.595 HG22 HD21 ' A' ' 35' ' ' LEU . 9.3 mm -82.42 123.7 38.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.32 135.12 12.59 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.506 1.129 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.794 ' O ' HG12 ' A' ' 98' ' ' VAL . . . 81.74 80.94 0.89 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.595 HD21 HG22 ' A' ' 32' ' ' ILE . 3.0 mt -106.98 3.25 25.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.75 . . . . 0.0 109.337 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.577 ' O ' ' CD2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 74.69 1.31 3.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.995 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.577 ' CD2' ' O ' ' A' ' 36' ' ' SER . 4.2 m-85 75.2 -2.21 2.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 40' ' ' THR . 1.5 mt-10 -106.03 -64.51 1.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.289 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.561 HG22 HD13 ' A' ' 35' ' ' LEU . 0.9 OUTLIER -37.8 97.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.367 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.434 ' N ' ' O ' ' A' ' 38' ' ' GLU . 18.3 p -72.7 -166.98 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.374 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.519 ' CG ' HG12 ' A' ' 59' ' ' VAL . 65.5 mt-10 -60.69 -54.25 47.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.428 ' C ' ' N ' ' A' ' 44' ' ' LEU . 4.7 tt0 -61.71 -62.41 1.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.0 m -40.52 -29.48 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.964 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.661 HD21 ' CG1' ' A' ' 74' ' ' VAL . 14.6 tp -77.58 -61.64 1.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -46.34 -48.73 18.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.334 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.3 t30 -47.54 -25.5 1.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.567 ' CE2' HG12 ' A' ' 93' ' ' ILE . 23.4 t80 -93.98 -45.4 7.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.492 ' CE2' HD11 ' A' ' 44' ' ' LEU . 27.1 m-85 -88.77 22.73 2.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 45' ' ' ARG . 2.9 mt-10 -99.01 -14.18 19.57 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 110.26 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.408 ' CD ' ' O ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -83.51 -8.28 59.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.335 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.491 ' CH2' ' CD2' ' A' ' 91' ' ' HIS . 6.5 m0 -103.44 -37.8 7.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 107.995 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 179.3 160.13 24.55 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.81 114.61 18.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 0.777 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 20.3 mt -72.01 125.49 27.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.435 ' H ' ' HG1' ' A' ' 55' ' ' THR . 69.7 p -82.38 -14.37 55.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.377 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -160.96 120.7 2.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.538 ' SG ' HD23 ' A' ' 44' ' ' LEU . 8.0 t -127.93 119.36 25.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 108.332 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.3 t -127.14 140.91 47.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.519 HG12 ' CG ' ' A' ' 41' ' ' GLU . 11.4 p -124.1 112.86 34.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.571 ' HG3' ' CE1' ' A' ' 71' ' ' PHE . 33.0 mmt -68.67 148.31 50.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.42 ' HA ' ' N ' ' A' ' 69' ' ' ARG . 10.1 mtt180 -140.03 127.24 21.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 110.29 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 66' ' ' LYS . 57.3 m-20 -40.88 122.4 1.9 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -21.08 16.27 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.515 1.798 . . . . 0.0 111.023 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -93.36 -43.54 8.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.52 -48.03 13.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.992 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER 73.59 28.79 1.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 55.9 mtt180 -128.06 48.71 2.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.2 m 60.58 146.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 110.003 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.57 ' HD3' ' CE2' ' A' ' 71' ' ' PHE . 3.1 mtt180 -92.2 -37.28 12.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.266 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' GLY . . . 107.59 20.85 8.24 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.523 1.139 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.798 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 1.3 p90 -160.25 151.61 19.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 0.735 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -156.27 -161.01 10.39 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.52 1.137 . . . . 0.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -131.36 147.15 52.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 0.773 . . . . 0.0 111.029 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.661 ' CG1' HD21 ' A' ' 44' ' ' LEU . 30.8 m -135.13 110.96 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 109.237 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 21.0 m -97.91 104.34 16.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.358 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.508 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 30.0 m-85 -69.28 169.94 11.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.73 -46.42 12.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 109.983 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.65 170.61 8.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.029 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.441 ' HA ' ' CG1' ' A' ' 82' ' ' VAL . 6.1 tpt -81.29 -28.36 34.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.34 -64.66 0.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.347 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.568 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 2.3 mp0 -41.11 -60.12 1.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.581 ' CG2' HD13 ' A' ' 30' ' ' LEU . 7.4 p -53.3 -45.65 56.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.24 -27.91 56.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.351 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.568 ' HB3' ' O ' ' A' ' 81' ' ' GLU . . . -72.88 -48.83 34.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -55.25 -39.85 70.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.435 ' CE ' ' HG3' ' A' ' 102' ' ' ARG . 1.2 mtp -56.86 -41.14 77.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -112.22 40.11 2.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.455 ' HB2' ' O ' ' A' ' 84' ' ' ALA . . . -110.99 -19.12 12.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.479 ' HA ' ' C ' ' A' ' 90' ' ' PRO . 3.5 mtm180 -46.18 159.15 0.34 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.323 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.479 ' C ' ' HA ' ' A' ' 89' ' ' ARG . 18.5 Cg_endo -75.01 -176.99 19.23 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 120.983 -2.507 . . . . 0.0 111.007 -0.008 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.491 ' CD2' ' CH2' ' A' ' 51' ' ' TRP . 32.8 m170 -140.71 128.77 22.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.604 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.3 p -119.19 111.08 17.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.057 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.567 HG12 ' CE2' ' A' ' 47' ' ' TYR . 19.3 mt -127.4 137.09 58.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.4 t70 68.35 9.75 7.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.084 . . . . 0.0 109.305 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 94.3 -8.07 72.24 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.504 1.127 . . . . 0.0 111.028 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.475 ' HD2' ' CB ' ' A' ' 36' ' ' SER . 0.3 OUTLIER -105.7 160.71 15.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 0.745 . . . . 0.0 110.282 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 43.1 t -89.77 116.73 31.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.794 HG12 ' O ' ' A' ' 34' ' ' GLY . 8.4 m -93.46 -179.3 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.36 108.94 2.05 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 156.89 42.97 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.472 1.775 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.9 mmtm -134.23 150.5 51.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.435 ' HG3' ' CE ' ' A' ' 86' ' ' MET . 10.0 mtt180 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.7 mtm-85 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.84 118.92 35.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.479 HD13 HG21 ' A' ' 82' ' ' VAL . 9.0 mp -111.43 160.2 17.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.1 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.794 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 19.2 t80 -122.41 109.97 15.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.532 HG21 HD11 ' A' ' 44' ' ' LEU . 5.4 mm -82.5 132.91 30.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.43 114.73 2.21 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.446 1.091 . . . . 0.0 110.991 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.704 ' C ' HD23 ' A' ' 35' ' ' LEU . . . 111.7 70.02 0.58 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.704 HD23 ' C ' ' A' ' 34' ' ' GLY . 4.0 mt -106.68 8.92 31.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.599 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 1.1 t 66.83 -73.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.988 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 36' ' ' SER . 0.3 OUTLIER 161.98 -25.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 110.996 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -99.22 30.1 3.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.573 1.171 . . . . 0.0 110.277 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.1 m -113.88 112.3 23.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.377 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 38.2 p -92.99 165.37 12.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.396 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -47.99 -53.86 14.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.251 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -54.31 -62.17 1.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 m -39.39 -57.01 1.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.998 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.532 HD11 HG21 ' A' ' 32' ' ' ILE . 0.9 OUTLIER -56.57 -48.45 77.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.25 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 49' ' ' GLU . 43.5 mtp180 -55.52 -57.28 12.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -42.11 -29.01 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.679 ' CE2' HD11 ' A' ' 93' ' ' ILE . 11.6 t80 -87.6 -52.81 5.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 111.018 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.44 ' CB ' HD11 ' A' ' 54' ' ' LEU . 32.1 m-85 -89.62 31.66 0.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 111.054 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 45' ' ' ARG . 1.0 OUTLIER -98.23 -30.49 12.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.32 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.414 ' CG ' ' N ' ' A' ' 51' ' ' TRP . 21.6 pt20 -67.54 -53.46 28.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.611 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 6.4 m0 -54.96 -21.34 11.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 107.967 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 164.16 163.31 16.84 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.514 1.133 . . . . 0.0 110.976 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.83 111.06 20.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 0.776 . . . . 0.0 109.259 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.517 HD13 ' CG1' ' A' ' 74' ' ' VAL . 21.0 mt -67.58 99.59 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 75' ' ' THR . 72.2 p -52.93 -23.46 7.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.425 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -161.17 129.26 4.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 48.8 t -127.5 118.86 24.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 108.323 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.1 t -118.1 134.78 60.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.593 HG23 HD12 ' A' ' 35' ' ' LEU . 11.8 p -124.09 114.11 39.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.579 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 34.6 mmt -67.31 143.72 56.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.408 ' HA ' ' N ' ' A' ' 69' ' ' ARG . 31.1 mtm180 -133.77 149.18 51.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.451 ' CB ' ' HB2' ' A' ' 65' ' ' SER . 66.1 m-20 -41.54 133.75 2.14 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 -10.77 21.3 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.485 1.782 . . . . 0.0 110.974 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -112.64 -41.64 3.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.451 ' HB2' ' CB ' ' A' ' 62' ' ' ASP . 0.3 OUTLIER -81.0 -36.67 30.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.007 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 61.9 32.22 17.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 16.6 mtt85 -105.35 -67.4 0.92 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.596 ' O ' ' CE1' ' A' ' 37' ' ' PHE . 46.2 t -169.47 148.42 3.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.528 1.143 . . . . 0.0 110.027 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.408 ' N ' ' HA ' ' A' ' 61' ' ' ARG . 0.2 OUTLIER -98.46 -39.79 8.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.262 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 113.59 11.83 12.5 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.494 1.121 . . . . 0.0 110.986 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.794 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 1.8 p90 -157.8 152.95 25.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -161.03 -157.79 8.95 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.46 1.1 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.477 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 1.3 m-85 -135.1 151.97 51.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 0.761 . . . . 0.0 111.017 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.517 ' CG1' HD13 ' A' ' 54' ' ' LEU . 15.7 m -135.07 112.25 14.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 55' ' ' THR . 2.6 m -96.54 103.62 15.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.377 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.469 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 15.9 m-85 -68.6 -175.57 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.3 t -94.18 -52.69 4.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.988 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 69.5 m -118.88 168.91 10.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.958 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.48 ' O ' ' CG1' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -69.43 -42.53 74.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.52 1.137 . . . . 0.0 110.961 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.05 -61.35 2.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -43.19 -64.41 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.249 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.48 ' CG1' ' O ' ' A' ' 79' ' ' MET . 7.5 p -53.6 -33.88 23.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 79' ' ' MET . 0.3 OUTLIER -61.38 -36.16 79.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.25 -53.48 29.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -50.45 -35.99 31.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.77 -29.19 69.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.968 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -123.93 39.31 4.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.475 ' CB ' ' HE2' ' A' ' 91' ' ' HIS . . . -109.76 -21.55 12.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.508 ' CB ' ' HA ' ' A' ' 90' ' ' PRO . 3.3 mtm105 -46.6 160.97 0.3 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.508 ' HA ' ' CB ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -74.97 177.1 40.53 Favored 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 121.006 -2.498 . . . . 0.0 111.008 -0.049 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.611 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 39.7 m170 -138.98 133.1 31.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.639 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.914 ' O ' HD13 ' A' ' 93' ' ' ILE . 4.3 p -119.06 121.14 39.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.03 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.914 HD13 ' O ' ' A' ' 92' ' ' SER . 9.7 mm -129.41 138.33 54.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.4 t0 64.88 12.14 7.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 86.25 18.6 58.83 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.483 1.114 . . . . 0.0 110.963 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.452 ' CG ' ' O ' ' A' ' 93' ' ' ILE . 0.4 OUTLIER -126.68 154.02 44.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 0.749 . . . . 0.0 110.316 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 13.0 t -82.06 104.56 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.666 HG12 ' O ' ' A' ' 34' ' ' GLY . 2.1 m -86.49 -179.92 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -154.45 109.28 2.4 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 160.08 40.55 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.509 1.794 . . . . 0.0 110.976 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -136.42 163.53 30.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.303 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.2 mtm-85 . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.297 -0.261 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.14 117.32 26.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.486 HD22 HG23 ' A' ' 82' ' ' VAL . 4.8 mp -111.22 165.7 11.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.799 ' CZ ' ' CD2' ' A' ' 71' ' ' PHE . 45.4 t80 -114.57 103.58 11.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.984 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.729 HG21 HD11 ' A' ' 44' ' ' LEU . 6.7 mm -78.69 130.76 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.248 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.25 138.56 11.35 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.531 1.145 . . . . 0.0 110.974 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.443 ' O ' HG12 ' A' ' 98' ' ' VAL . . . 86.79 67.81 1.34 Allowed Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.668 HD21 HG22 ' A' ' 32' ' ' ILE . 10.4 mt -103.42 9.14 37.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 0.749 . . . . 0.0 109.325 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.592 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 1.3 t 66.46 -69.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.595 ' CD1' ' O ' ' A' ' 68' ' ' SER . 0.3 OUTLIER 162.05 -25.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 111.0 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.605 ' O ' HG23 ' A' ' 40' ' ' THR . 1.6 mp0 -89.42 -45.69 9.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.262 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 38' ' ' GLU . 1.8 m -37.75 96.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 110.399 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.605 HG23 ' O ' ' A' ' 38' ' ' GLU . 72.8 p -83.33 178.16 8.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.42 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.505 ' CG ' HG12 ' A' ' 59' ' ' VAL . 75.8 mt-10 -53.22 -50.37 64.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.269 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -63.07 -62.56 1.63 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.273 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.8 m -39.3 -47.55 1.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.019 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.729 HD11 HG21 ' A' ' 32' ' ' ILE . 2.2 tp -61.13 -65.08 0.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.849 ' HG2' HD12 ' A' ' 54' ' ' LEU . 8.1 mtp180 -46.61 -47.28 19.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.283 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -47.01 -25.15 0.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.403 ' N ' ' C ' ' A' ' 45' ' ' ARG . 27.8 t80 -93.55 -47.35 6.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.561 ' CB ' HD11 ' A' ' 54' ' ' LEU . 43.3 m-85 -89.92 26.06 1.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 45' ' ' ARG . 3.5 mt-10 -99.07 -13.67 19.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.277 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -76.26 -61.17 2.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 110.313 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.627 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 9.1 m-90 -50.66 -37.07 38.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 108.005 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -178.33 165.34 34.59 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.533 1.145 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.21 118.09 27.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 0.752 . . . . 0.0 109.349 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.849 HD12 ' HG2' ' A' ' 45' ' ' ARG . 12.5 mt -75.29 99.66 4.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.44 ' N ' ' O ' ' A' ' 75' ' ' THR . 61.4 p -46.76 -25.86 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.435 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -159.39 126.72 4.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.426 ' CB ' ' HG3' ' A' ' 45' ' ' ARG . 28.8 p -128.08 117.55 21.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 108.294 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.436 HG12 ' HE2' ' A' ' 60' ' ' MET . 7.4 t -115.64 142.31 29.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.336 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.505 HG12 ' CG ' ' A' ' 41' ' ' GLU . 7.3 p -124.06 121.89 63.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.573 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 36.3 mmt -73.93 136.47 43.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -134.72 138.24 44.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.293 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.53 134.97 13.18 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -21.55 15.87 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.477 1.777 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -99.38 -47.96 4.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.256 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.91 -37.1 72.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.47 1.106 . . . . 0.0 109.999 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 75.9 19.25 1.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.341 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.1 mtt-85 -121.21 148.33 44.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.298 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.595 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 66.8 m -42.32 129.1 3.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.993 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.09 -28.11 67.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 117.1 11.94 8.68 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.556 1.16 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.799 ' CD2' ' CZ ' ' A' ' 31' ' ' PHE . 9.3 p90 -158.28 154.41 27.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -158.42 -162.71 12.07 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.498 1.124 . . . . 0.0 111.059 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.4 ' HA ' ' O ' ' A' ' 30' ' ' LEU . 8.1 m-85 -128.61 149.55 50.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 110.99 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.614 ' CG2' HD11 ' A' ' 32' ' ' ILE . 12.3 m -135.73 123.33 35.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 55' ' ' THR . 2.4 m -110.24 99.85 8.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.421 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.477 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 19.6 m-85 -65.73 175.34 1.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 111.039 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.1 t -86.41 -48.64 8.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.101 . . . . 0.0 109.992 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.91 -179.69 3.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.991 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.465 ' O ' ' CG1' ' A' ' 82' ' ' VAL . 0.6 OUTLIER -88.23 -31.88 18.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 111.019 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.76 -62.13 2.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -43.61 -62.51 1.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.294 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.486 HG23 HD22 ' A' ' 30' ' ' LEU . 7.3 p -50.31 -35.37 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.16 -34.65 78.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.359 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.537 ' O ' ' HB2' ' A' ' 88' ' ' ALA . . . -72.27 -37.99 68.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.97 -34.16 76.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.459 ' CE ' ' HG3' ' A' ' 102' ' ' ARG . 0.7 OUTLIER -65.59 -34.2 77.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -114.7 51.98 0.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.549 ' O ' ' CD2' ' A' ' 91' ' ' HIS . . . -138.64 50.73 1.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.482 ' CB ' ' HA ' ' A' ' 90' ' ' PRO . 5.3 mtm105 -111.59 160.06 30.87 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.347 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.482 ' HA ' ' CB ' ' A' ' 89' ' ' ARG . 18.2 Cg_endo -75.04 -168.91 6.88 Favored 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 121.003 -2.499 . . . . 0.0 110.965 0.029 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.627 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 5.0 m170 -132.87 139.86 47.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 109.578 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.3 p -125.31 111.4 15.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.996 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.479 ' O ' ' CG ' ' A' ' 96' ' ' ARG . 9.9 mt -137.21 150.33 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.469 ' OD2' ' CB ' ' A' ' 36' ' ' SER . 41.5 t0 57.96 28.52 16.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 66.59 19.99 69.56 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.485 ' CZ ' ' HB2' ' A' ' 96' ' ' ARG . 0.1 OUTLIER -128.31 168.21 15.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 0.76 . . . . 0.0 110.339 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.429 ' O ' ' NH2' ' A' ' 96' ' ' ARG . 60.5 t -97.06 103.98 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.51 HG22 ' HB3' ' A' ' 91' ' ' HIS . 1.4 m -89.86 -174.39 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.414 ' N ' HG23 ' A' ' 98' ' ' VAL . 2.0 pm0 -158.67 109.53 1.63 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.258 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.437 ' HD2' ' CD ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -74.99 150.33 38.06 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.485 1.782 . . . . 0.0 111.035 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt -141.43 178.64 7.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.459 ' HG3' ' CE ' ' A' ' 86' ' ' MET . 1.5 ttt180 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.7 mtm105 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.47 116.67 29.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.52 HD21 ' HG2' ' A' ' 86' ' ' MET . 5.2 mp -110.49 146.12 36.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.36 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.642 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 30.2 t80 -98.32 103.6 15.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.974 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.733 HD11 ' CG2' ' A' ' 74' ' ' VAL . 3.9 mm -82.17 133.91 28.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.29 131.65 6.65 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.509 1.131 . . . . 0.0 111.017 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.639 ' O ' HG12 ' A' ' 98' ' ' VAL . . . 100.61 57.92 0.86 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.466 HD13 HD13 ' A' ' 44' ' ' LEU . 3.9 mt -99.41 9.31 43.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 0.762 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.587 ' O ' ' CG ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 74.11 -72.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.021 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.587 ' CG ' ' O ' ' A' ' 36' ' ' SER . 0.2 OUTLIER 164.34 -28.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.991 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.464 ' O ' HG23 ' A' ' 40' ' ' THR . 2.0 tt0 -87.97 -55.39 3.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.253 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 38' ' ' GLU . 1.1 m -36.9 98.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.116 . . . . 0.0 110.416 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.464 HG23 ' O ' ' A' ' 38' ' ' GLU . 80.7 p -81.63 -166.81 1.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.394 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.503 ' CG ' HG12 ' A' ' 59' ' ' VAL . 65.7 mt-10 -59.44 -55.34 35.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 43' ' ' SER . 2.2 mt-10 -57.35 -66.29 0.48 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 110.324 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 42' ' ' GLU . 3.3 m -38.58 -38.85 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.466 HD13 HD13 ' A' ' 35' ' ' LEU . 6.5 tp -74.6 -59.93 2.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -46.15 -46.17 17.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 110.309 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -46.83 -25.56 0.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.402 ' N ' ' C ' ' A' ' 45' ' ' ARG . 9.8 t80 -91.71 -47.33 7.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.613 ' CB ' HD11 ' A' ' 54' ' ' LEU . 39.1 m-85 -88.55 23.28 2.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 111.005 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 45' ' ' ARG . 1.1 mt-10 -98.81 -18.78 17.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -73.24 -60.64 2.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.351 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.635 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 7.3 m-90 -50.09 -36.34 29.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 107.988 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 179.97 155.81 16.36 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.506 1.129 . . . . 0.0 110.945 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.08 119.77 21.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.613 HD11 ' CB ' ' A' ' 48' ' ' TYR . 13.8 mt -75.62 125.87 29.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 34.5 p -86.11 -27.77 24.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.39 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -143.65 113.08 6.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 11.7 t -127.96 121.87 30.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 0.0 108.317 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.7 t -124.05 139.72 49.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.533 HG13 ' O ' ' A' ' 59' ' ' VAL . 11.9 p -124.43 108.98 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.365 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.579 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 34.3 mmt -57.76 149.25 22.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.474 ' NH1' HG13 ' A' ' 59' ' ' VAL . 2.0 mtm-85 -135.65 123.9 23.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.422 ' N ' ' HG3' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -40.99 124.2 2.0 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -25.6 11.64 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.52 1.8 . . . . 0.0 110.956 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -90.14 -49.18 6.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.6 m -72.09 -48.14 46.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 110.011 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 75.29 20.99 1.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.4 mtt85 -126.57 58.34 1.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.32 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.7 m 60.32 148.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.137 . . . . 0.0 109.966 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.562 ' HD3' ' CE2' ' A' ' 71' ' ' PHE . 3.4 mtt180 -91.93 -45.71 8.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.345 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 117.69 12.22 8.07 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.642 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 1.3 p90 -158.29 155.62 29.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 0.763 . . . . 0.0 110.978 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -164.85 -160.7 12.59 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.423 ' HA ' ' O ' ' A' ' 30' ' ' LEU . 4.5 m-85 -124.16 151.67 43.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.733 ' CG2' HD11 ' A' ' 32' ' ' ILE . 6.7 m -132.65 119.39 38.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.3 m -111.26 109.37 19.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.411 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.413 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 28.7 m-85 -73.16 -178.21 2.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.984 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.45 -44.41 10.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.998 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.55 176.32 5.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.01 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.45 ' O ' ' CG1' ' A' ' 82' ' ' VAL . 3.6 tpt -85.09 -30.17 24.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.435 ' O ' ' CB ' ' A' ' 83' ' ' ASP . . . -60.68 -62.34 1.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -43.03 -61.81 1.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.48 HG23 HD22 ' A' ' 30' ' ' LEU . 7.6 p -50.45 -32.72 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.435 ' CB ' ' O ' ' A' ' 80' ' ' ALA . 2.7 t0 -65.85 -35.1 79.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.14 -45.8 72.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.2 -48.04 81.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.52 ' HG2' HD21 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -50.12 -38.72 40.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -109.16 48.51 0.86 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.58 ' O ' ' CD2' ' A' ' 91' ' ' HIS . . . -136.59 46.35 2.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.505 ' CB ' ' HA ' ' A' ' 90' ' ' PRO . 4.1 mtm105 -106.25 160.88 24.64 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.323 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.505 ' HA ' ' CB ' ' A' ' 89' ' ' ARG . 18.4 Cg_endo -74.96 -174.91 14.95 Favored 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 121.004 -2.498 . . . . 0.0 110.998 0.013 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.635 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 7.1 m170 -127.13 126.3 42.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.603 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.4 p -115.88 112.88 22.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.971 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 5.4 mt -137.13 149.98 26.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.2 t70 64.51 12.55 7.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 85.12 1.25 88.61 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.553 1.158 . . . . 0.0 111.041 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.442 ' NH1' ' HB2' ' A' ' 96' ' ' ARG . 0.0 OUTLIER -115.71 162.4 17.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 0.731 . . . . 0.0 110.271 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 58.4 t -88.34 107.21 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.639 HG12 ' O ' ' A' ' 34' ' ' GLY . 1.6 m -88.03 -170.53 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.455 ' N ' HG23 ' A' ' 98' ' ' VAL . 3.6 pt-20 -158.25 109.44 1.71 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.153 . . . . 0.0 110.32 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 149.33 36.62 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.536 1.808 . . . . 0.0 110.995 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 25.7 mmtt -137.63 169.96 16.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.455 ' HG3' ' CE ' ' A' ' 86' ' ' MET . 5.8 mtp180 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.28 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.439 ' O ' HG23 ' A' ' 75' ' ' THR . 1.9 mtt-85 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -127.68 112.65 15.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.588 HD22 HG23 ' A' ' 82' ' ' VAL . 6.8 mp -104.26 141.8 35.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.62 ' CE2' ' CD1' ' A' ' 71' ' ' PHE . 29.4 t80 -102.61 108.66 20.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.627 HG22 HD21 ' A' ' 35' ' ' LEU . 6.5 mm -81.37 131.2 34.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.243 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.89 130.23 8.17 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 70' ' ' GLY . . . 81.62 76.26 1.08 Allowed Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.627 HD21 HG22 ' A' ' 32' ' ' ILE . 6.7 mt -97.0 -3.52 41.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 0.787 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.571 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 0.3 OUTLIER 83.82 -9.89 0.97 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.971 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.571 ' CG ' ' C ' ' A' ' 36' ' ' SER . 1.8 m-85 75.21 -2.35 2.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -113.98 4.71 15.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.3 m -102.24 108.91 20.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.415 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 35.2 p -77.81 158.47 29.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 110.407 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.683 ' CG ' HG12 ' A' ' 59' ' ' VAL . 85.8 mt-10 -40.44 -54.13 2.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 110.311 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 43' ' ' SER . 3.7 tt0 -56.8 -60.8 3.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 110.301 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 42' ' ' GLU . 0.6 OUTLIER -38.76 -53.54 1.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.981 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.602 HD21 ' CG1' ' A' ' 74' ' ' VAL . 1.9 tp -57.23 -50.97 71.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.541 ' CG ' HD12 ' A' ' 54' ' ' LEU . 8.8 mtm180 -52.63 -56.03 18.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 110.319 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.4 t30 -39.83 -29.95 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.666 ' CD2' HD11 ' A' ' 93' ' ' ILE . 13.5 t80 -90.82 -44.67 9.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 111.022 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -89.22 24.47 2.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 45' ' ' ARG . 0.5 OUTLIER -99.11 -31.81 11.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -63.23 -51.81 64.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.625 ' CZ2' ' NE2' ' A' ' 91' ' ' HIS . 5.2 m-90 -54.63 -41.27 69.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.122 . . . . 0.0 108.026 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.02 167.18 39.2 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.492 1.12 . . . . 0.0 111.048 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -85.94 116.97 24.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 0.781 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.541 HD12 ' CG ' ' A' ' 45' ' ' ARG . 30.8 mt -72.3 131.58 42.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.344 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 30.5 p -95.6 -15.44 22.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.397 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -159.08 118.16 2.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.45 ' SG ' ' NE ' ' A' ' 45' ' ' ARG . 6.2 p -125.7 121.65 34.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 108.316 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.2 t -130.7 138.62 53.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.683 HG12 ' CG ' ' A' ' 41' ' ' GLU . 7.3 p -124.46 115.78 45.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.574 ' HG3' ' CE1' ' A' ' 71' ' ' PHE . 36.6 mmt -68.17 136.27 53.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 111.037 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 62' ' ' ASP . 7.1 mtp180 -133.96 128.49 34.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.353 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 67' ' ' ARG . 0.4 OUTLIER -39.92 129.34 1.56 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -32.62 5.26 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.491 1.785 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -87.17 -46.32 9.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.36 -36.92 68.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.993 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 74.86 23.53 1.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 62' ' ' ASP . 6.2 mtp180 -122.11 154.61 37.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 0.0 110.341 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 18.8 m -58.96 124.78 21.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.022 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -65.18 -24.58 67.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.318 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' GLY . . . 100.07 25.13 9.16 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.62 ' CD1' ' CE2' ' A' ' 31' ' ' PHE . 2.1 p90 -160.34 148.8 16.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 0.761 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -159.77 -158.41 9.15 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.541 1.151 . . . . 0.0 110.974 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.4 ' HA ' ' O ' ' A' ' 30' ' ' LEU . 6.2 m-85 -131.39 145.78 51.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.762 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.602 ' CG1' HD21 ' A' ' 44' ' ' LEU . 26.4 m -131.13 108.75 15.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.439 HG23 ' O ' ' A' ' 28' ' ' ARG . 1.9 m -96.94 108.99 21.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.402 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.465 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 21.6 m-85 -73.51 -176.16 2.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.55 -32.25 10.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.034 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.6 t -123.29 170.8 9.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.02 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.441 ' HA ' ' CG1' ' A' ' 82' ' ' VAL . 0.1 OUTLIER -85.8 -33.29 21.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 111.005 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.13 -60.33 3.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.563 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 83.6 mt-10 -44.84 -60.67 1.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.588 HG23 HD22 ' A' ' 30' ' ' LEU . 7.5 p -52.88 -44.63 49.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.5 -31.3 61.92 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.658 ' O ' ' HB2' ' A' ' 88' ' ' ALA . . . -68.25 -52.15 37.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.426 1.079 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -51.01 -35.77 35.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.559 ' SD ' HD21 ' A' ' 30' ' ' LEU . 93.1 mmm -64.24 -58.07 7.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -92.18 37.03 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.658 ' HB2' ' O ' ' A' ' 84' ' ' ALA . . . -112.39 -31.93 6.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.507 ' CG ' ' HA ' ' A' ' 90' ' ' PRO . 0.3 OUTLIER -40.26 160.75 0.11 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.327 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.594 ' O ' ' CD2' ' A' ' 91' ' ' HIS . 18.3 Cg_endo -75.03 -179.29 26.17 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 121.008 -2.497 . . . . 0.0 110.96 0.032 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.625 ' NE2' ' CZ2' ' A' ' 51' ' ' TRP . 32.8 m170 -145.82 147.81 32.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.644 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.791 ' O ' HD13 ' A' ' 93' ' ' ILE . 50.7 m -132.39 134.86 45.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.961 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.791 HD13 ' O ' ' A' ' 92' ' ' SER . 10.6 mm -133.14 133.43 58.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.9 t70 69.78 7.59 6.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.092 . . . . 0.0 109.246 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 100.94 -9.96 58.44 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.49 1.118 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.495 ' CZ ' ' HB2' ' A' ' 96' ' ' ARG . 0.0 OUTLIER -94.33 162.67 13.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 0.0 110.287 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 17.3 t -95.32 112.98 28.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 1.9 m -94.03 -179.0 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -155.53 108.58 2.2 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.411 ' HD2' ' NE ' ' A' ' 89' ' ' ARG . 18.1 Cg_endo -75.02 161.88 37.99 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.492 1.785 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt -139.94 155.66 47.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.081 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.453 ' NH2' ' O ' ' A' ' 76' ' ' PHE . 10.9 mtp-105 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.13 118.15 32.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.635 HD22 HG23 ' A' ' 82' ' ' VAL . 6.9 mp -106.6 149.73 26.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.801 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 6.9 t80 -111.29 112.23 23.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.53 HG22 HD21 ' A' ' 35' ' ' LEU . 8.3 mm -84.67 133.64 28.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.68 130.13 7.77 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.517 1.135 . . . . 0.0 111.015 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.52 ' C ' HD23 ' A' ' 35' ' ' LEU . . . 86.2 74.98 1.26 Allowed Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.53 HD21 HG22 ' A' ' 32' ' ' ILE . 2.9 mt -98.76 1.0 45.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 0.78 . . . . 0.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.525 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 0.2 OUTLIER 72.38 -3.33 2.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 110.038 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.525 ' CG ' ' C ' ' A' ' 36' ' ' SER . 0.8 OUTLIER 71.87 -0.96 3.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 111.042 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.404 ' C ' ' OD2' ' A' ' 94' ' ' ASP . 0.0 OUTLIER -115.35 19.51 15.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.316 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.23 106.71 12.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.377 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 41.6 p -78.66 168.8 19.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.404 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.487 ' CG ' HG12 ' A' ' 59' ' ' VAL . 58.2 mt-10 -45.63 -55.16 6.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.278 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 45' ' ' ARG . 0.3 OUTLIER -59.6 -59.44 5.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.264 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.2 m -43.11 -31.27 0.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 109.994 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.591 HD23 ' SG ' ' A' ' 57' ' ' CYS . 0.8 OUTLIER -82.62 -42.09 18.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.653 ' HG2' HD12 ' A' ' 54' ' ' LEU . 8.3 mtm-85 -61.08 -45.61 94.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 0.0 110.275 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 29.4 t30 -52.22 -21.81 3.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.246 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.673 ' CD2' HD11 ' A' ' 93' ' ' ILE . 27.7 t80 -93.45 -43.67 8.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.982 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.741 ' CB ' HD11 ' A' ' 54' ' ' LEU . 24.2 m-85 -93.1 22.75 4.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 111.044 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 45' ' ' ARG . 3.1 mt-10 -98.9 -23.53 15.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.507 1.129 . . . . 0.0 110.33 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -72.24 -36.32 69.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.66 ' CH2' ' CE1' ' A' ' 91' ' ' HIS . 6.5 m0 -74.38 -45.54 46.24 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -169.02 165.66 39.09 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.07 110.18 19.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 0.794 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.741 HD11 ' CB ' ' A' ' 48' ' ' TYR . 18.2 mt -69.78 112.48 6.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 75' ' ' THR . 40.0 p -55.38 -32.72 62.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 110.416 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -160.79 138.63 9.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.591 ' SG ' HD23 ' A' ' 44' ' ' LEU . 32.2 t -128.48 123.77 34.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 108.325 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.9 t -119.66 136.55 56.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.487 HG12 ' CG ' ' A' ' 41' ' ' GLU . 14.7 p -124.6 119.46 56.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.565 ' HG3' ' CE1' ' A' ' 71' ' ' PHE . 33.4 mmt -71.82 135.47 46.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -133.28 126.36 31.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.335 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 66' ' ' LYS . 1.6 t0 -41.14 124.52 2.09 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.259 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -21.12 16.21 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.465 1.771 . . . . 0.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -95.94 -46.42 6.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.78 -32.69 57.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.997 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 62' ' ' ASP . 0.3 OUTLIER 75.47 15.69 2.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -113.99 145.22 41.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.7 t -46.18 133.06 9.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.02 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -27.16 66.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.334 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 102.12 16.37 23.43 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.801 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 1.3 p90 -159.18 147.11 17.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 0.749 . . . . 0.0 110.961 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -153.06 -159.82 9.3 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.478 1.111 . . . . 0.0 110.972 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.447 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 1.6 m-85 -133.93 151.24 51.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 111.056 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.543 ' CG1' HD21 ' A' ' 44' ' ' LEU . 26.7 m -135.28 122.54 36.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 55' ' ' THR . 5.6 m -104.98 104.94 14.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 110.38 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.562 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 27.2 m-85 -68.88 169.5 11.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.977 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.25 -34.26 17.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.961 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.3 m -127.83 171.87 11.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.01 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.457 ' HA ' ' CG1' ' A' ' 82' ' ' VAL . 1.3 tpt -83.28 -26.76 30.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.138 . . . . 0.0 110.991 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.21 -60.6 3.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.667 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 6.3 mt-10 -45.76 -61.25 1.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.34 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.635 HG23 HD22 ' A' ' 30' ' ' LEU . 7.6 p -51.29 -47.2 34.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.31 -21.9 38.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.667 ' HB3' ' O ' ' A' ' 81' ' ' GLU . . . -77.23 -65.69 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.356 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -40.3 -47.68 2.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.581 ' SD ' HD21 ' A' ' 30' ' ' LEU . 95.0 mmm -51.13 -54.82 21.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -92.75 51.08 1.66 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.52 ' O ' ' CD2' ' A' ' 91' ' ' HIS . . . -141.88 40.3 1.67 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.506 ' CB ' ' HA ' ' A' ' 90' ' ' PRO . 26.2 mtm-85 -95.4 161.02 29.27 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.27 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.506 ' HA ' ' CB ' ' A' ' 89' ' ' ARG . 18.4 Cg_endo -74.96 -177.53 20.76 Favored 'Cis proline' 0 C--N 1.361 1.194 0 C-N-CA 120.986 -2.506 . . . . 0.0 111.0 -0.063 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.66 ' CE1' ' CH2' ' A' ' 51' ' ' TRP . 7.9 m170 -125.36 130.28 51.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.613 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 p -121.74 114.41 21.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.673 HD11 ' CD2' ' A' ' 47' ' ' TYR . 9.6 mt -137.12 148.34 26.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.404 ' OD2' ' C ' ' A' ' 38' ' ' GLU . 7.3 t0 65.65 12.3 8.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 85.67 7.24 82.0 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -121.5 168.11 12.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 0.741 . . . . 0.0 110.322 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 98.2 t -93.65 105.92 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.447 HG12 ' O ' ' A' ' 34' ' ' GLY . 1.5 m -90.3 -173.22 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.414 ' N ' HG23 ' A' ' 98' ' ' VAL . 4.4 pt-20 -155.79 108.73 2.15 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.301 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.418 ' HG3' ' ND1' ' A' ' 91' ' ' HIS . 18.3 Cg_endo -74.98 160.79 39.79 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.493 1.786 . . . . 0.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.3 mttm -138.75 158.67 43.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 10.4 ttt180 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 110.311 -180.0 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.4 mtm180 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -87.19 112.91 22.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.882 HD21 ' SD ' ' A' ' 86' ' ' MET . 0.9 OUTLIER -102.48 165.69 10.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.736 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 11.6 t80 -121.74 112.4 18.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.991 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.652 HD12 ' CZ ' ' A' ' 48' ' ' TYR . 8.1 mm -87.66 120.2 36.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.68 119.63 4.01 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.509 1.131 . . . . 0.0 111.015 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.61 ' O ' HG12 ' A' ' 98' ' ' VAL . . . 121.1 34.04 0.92 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.712 HD21 HD13 ' A' ' 44' ' ' LEU . 2.2 mp -79.2 2.6 20.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 0.762 . . . . 0.0 109.339 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.559 ' O ' ' CG ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 72.04 -66.26 0.31 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 110.015 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.559 ' CG ' ' O ' ' A' ' 36' ' ' SER . 0.2 OUTLIER 166.74 -28.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.659 ' O ' HG23 ' A' ' 40' ' ' THR . 6.9 mt-10 -83.78 -55.61 4.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 110.274 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 38' ' ' GLU . 1.0 OUTLIER -37.49 96.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.392 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.659 HG23 ' O ' ' A' ' 38' ' ' GLU . 79.3 p -86.12 -159.88 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.417 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.666 ' CG ' HG12 ' A' ' 59' ' ' VAL . 34.2 mt-10 -65.13 -51.38 61.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.16 . . . . 0.0 110.328 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 45' ' ' ARG . 1.6 tt0 -58.11 -69.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 110.322 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 42' ' ' GLU . 4.8 m -38.6 -55.4 1.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 110.02 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.766 HD21 ' CG1' ' A' ' 74' ' ' VAL . 0.9 OUTLIER -51.15 -46.98 62.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.604 ' CG ' HD12 ' A' ' 54' ' ' LEU . 9.2 mtp180 -66.66 -50.71 62.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -46.32 -25.59 0.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.769 ' CD2' HD11 ' A' ' 93' ' ' ILE . 77.3 t80 -92.7 -45.76 7.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.652 ' CZ ' HD12 ' A' ' 32' ' ' ILE . 20.6 m-85 -87.98 20.74 2.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.976 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 45' ' ' ARG . 2.8 mt-10 -99.28 -16.73 18.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.266 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.401 ' CD ' ' O ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -83.36 -7.67 59.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.312 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.623 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 7.9 m0 -105.33 -36.95 7.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 108.023 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.99 166.42 37.59 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.487 1.117 . . . . 0.0 111.042 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.59 109.35 20.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 0.767 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.637 HD13 ' CG1' ' A' ' 74' ' ' VAL . 17.8 mt -69.11 104.27 2.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 75' ' ' THR . 36.0 p -59.92 -14.73 17.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 110.407 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -160.92 117.77 2.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.404 ' O ' ' SG ' ' A' ' 57' ' ' CYS . 27.3 p -122.61 116.6 24.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 108.275 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.8 t -121.75 139.04 50.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.108 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.666 HG12 ' CG ' ' A' ' 41' ' ' GLU . 7.7 p -124.56 112.32 31.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.564 ' HG3' ' CE1' ' A' ' 71' ' ' PHE . 35.4 mmt -64.03 147.15 52.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 111.027 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.415 ' HA ' ' N ' ' A' ' 69' ' ' ARG . 19.3 mtt180 -139.3 132.1 29.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.27 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 66' ' ' LYS . 46.2 m-20 -45.6 124.98 6.22 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.354 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -18.55 18.54 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.48 1.779 . . . . 0.0 110.978 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -97.78 -41.86 7.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.88 -47.86 12.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.977 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER 72.06 26.78 2.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 45.7 mtt-85 -124.95 48.12 2.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 49.2 m 61.15 145.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.039 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.425 ' HG2' ' N ' ' A' ' 62' ' ' ASP . 0.2 OUTLIER -90.63 -41.13 11.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.317 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 115.22 17.81 6.55 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.736 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 1.8 p90 -160.29 152.14 20.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 0.777 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -157.99 -158.46 8.99 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.525 1.141 . . . . 0.0 110.98 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.408 ' HA ' ' O ' ' A' ' 30' ' ' LEU . 3.1 m-85 -132.4 151.07 52.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 0.759 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.766 ' CG1' HD21 ' A' ' 44' ' ' LEU . 28.7 m -134.33 112.5 16.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 55' ' ' THR . 19.9 m -100.5 98.26 8.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.514 1.134 . . . . 0.0 110.387 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.573 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 30.1 m-85 -67.26 172.48 4.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.27 -54.5 6.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.936 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.3 m -112.61 174.05 6.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.984 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.441 ' HA ' ' CG1' ' A' ' 82' ' ' VAL . 0.8 OUTLIER -87.83 -10.91 49.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.34 -59.54 2.7 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 109.339 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.624 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 3.8 mm-40 -48.51 -60.4 2.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.573 ' HB ' ' CD2' ' A' ' 76' ' ' PHE . 6.4 p -49.16 -44.6 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.45 -30.61 65.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.624 ' HB3' ' O ' ' A' ' 81' ' ' GLU . . . -63.72 -60.46 3.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.351 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -45.32 -50.64 11.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.882 ' SD ' HD21 ' A' ' 30' ' ' LEU . 98.8 mmm -47.68 -51.56 21.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 111.025 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -91.52 47.33 1.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -141.77 27.38 1.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.486 ' HA ' ' C ' ' A' ' 90' ' ' PRO . 0.5 OUTLIER -82.84 158.79 64.54 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.486 ' C ' ' HA ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -75.03 -174.91 14.99 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 121.016 -2.493 . . . . 0.0 111.001 0.02 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.623 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 18.8 m170 -127.06 136.93 52.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.581 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.532 ' O ' ' CE1' ' A' ' 47' ' ' TYR . 4.6 p -127.88 114.75 17.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.971 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.769 HD11 ' CD2' ' A' ' 47' ' ' TYR . 15.9 mt -134.61 150.6 30.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.1 t0 62.93 14.31 7.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.9 12.21 81.57 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.479 1.112 . . . . 0.0 110.96 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.444 ' HD3' ' CB ' ' A' ' 36' ' ' SER . 7.0 ptm180 -127.75 168.15 15.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 72.7 t -88.53 116.5 30.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.61 HG12 ' O ' ' A' ' 34' ' ' GLY . 1.5 m -99.16 -173.17 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.354 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.421 ' N ' HG23 ' A' ' 98' ' ' VAL . 5.9 pt-20 -159.19 109.39 1.54 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 110.266 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 162.43 37.19 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.458 1.767 . . . . 0.0 111.004 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.401 ' HD2' ' CD1' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -141.91 140.67 32.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.273 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 68.5 mtt180 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.433 ' NZ ' ' CD1' ' A' ' 73' ' ' PHE . 0.5 OUTLIER -90.53 114.44 26.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.543 HD22 HG23 ' A' ' 82' ' ' VAL . 10.7 mp -107.06 136.38 47.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.738 ' CE2' ' CD1' ' A' ' 71' ' ' PHE . 23.0 t80 -93.13 109.49 20.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.989 HG21 HD11 ' A' ' 44' ' ' LEU . 15.8 mm -78.71 126.7 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.96 112.57 1.49 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.886 ' O ' HG12 ' A' ' 98' ' ' VAL . . . 123.91 36.74 0.61 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.688 HD13 ' HA ' ' A' ' 71' ' ' PHE . 5.5 mp -77.37 -8.79 58.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 0.78 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.538 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER 65.91 9.98 6.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.988 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.538 ' CG ' ' C ' ' A' ' 36' ' ' SER . 2.5 m-85 75.43 -2.25 2.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.143 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.463 ' O ' HG23 ' A' ' 40' ' ' THR . 4.2 mt-10 -101.2 -52.06 3.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.468 HG22 ' O ' ' A' ' 39' ' ' THR . 0.9 OUTLIER -49.98 97.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.442 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.463 HG23 ' O ' ' A' ' 38' ' ' GLU . 18.6 p -82.01 -172.67 4.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.395 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -54.05 -55.8 24.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.327 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -56.02 -70.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.327 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.5 m -38.24 -58.35 0.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 110.032 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.989 HD11 HG21 ' A' ' 32' ' ' ILE . 13.6 tp -45.75 -60.36 2.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.524 ' HG2' HD12 ' A' ' 54' ' ' LEU . 14.7 mtp180 -56.56 -50.0 73.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.173 . . . . 0.0 110.306 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 45' ' ' ARG . 5.6 t30 -40.25 -29.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.59 ' CE1' ' O ' ' A' ' 92' ' ' SER . 65.7 t80 -94.37 -43.4 8.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.761 ' CZ ' HD12 ' A' ' 32' ' ' ILE . 41.8 m-85 -87.1 21.96 2.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 45' ' ' ARG . 2.1 mt-10 -99.08 -17.23 18.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.246 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -74.45 -61.87 1.72 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.607 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 7.6 m-90 -51.31 -40.62 59.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 107.999 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 48' ' ' TYR . . . -175.86 170.62 43.6 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.08 127.3 37.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 0.732 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.57 HD11 ' CB ' ' A' ' 48' ' ' TYR . 10.5 mt -81.71 110.23 16.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 75' ' ' THR . 34.2 p -59.43 -21.14 59.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 110.398 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -160.9 127.08 3.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.544 ' SG ' HD23 ' A' ' 44' ' ' LEU . 8.4 t -128.29 122.37 31.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 108.311 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.3 t -127.33 139.53 51.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.3 p -124.26 118.54 54.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.335 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.567 ' HG3' ' CE1' ' A' ' 71' ' ' PHE . 34.5 mmt -68.57 142.85 55.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.5 mtp180 -136.7 137.74 40.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.256 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 66' ' ' LYS . 1.6 t0 -53.56 124.34 40.93 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -13.5 21.44 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.514 1.797 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -104.73 -43.23 5.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.76 -17.17 42.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.999 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 62' ' ' ASP . 6.2 mmtt 56.31 38.15 29.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.59 144.73 42.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.46 130.73 5.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -66.13 -27.44 68.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.257 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 108.14 17.5 10.8 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.738 ' CD1' ' CE2' ' A' ' 31' ' ' PHE . 4.7 p90 -161.05 154.75 22.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 0.774 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -156.72 -161.25 10.62 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.472 1.107 . . . . 0.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.433 ' CD1' ' NZ ' ' A' ' 29' ' ' LYS . 8.7 m-85 -131.59 144.92 51.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 0.744 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.558 ' CG1' HD13 ' A' ' 54' ' ' LEU . 27.4 m -131.97 115.96 28.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 55' ' ' THR . 12.9 m -101.12 98.96 9.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 110.411 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.52 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 17.4 m-85 -65.26 156.59 31.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.415 ' HA ' ' CG2' ' A' ' 55' ' ' THR . 1.0 OUTLIER -69.76 -51.45 33.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.001 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 t -111.62 175.69 5.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.009 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.461 ' O ' ' CG1' ' A' ' 82' ' ' VAL . 0.6 OUTLIER -87.39 -30.19 20.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.963 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.11 -62.55 1.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -42.96 -62.45 1.02 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.543 HG23 HD22 ' A' ' 30' ' ' LEU . 7.4 p -51.23 -43.45 28.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.342 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.13 -37.43 66.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.577 ' O ' ' HB2' ' A' ' 88' ' ' ALA . . . -70.76 -41.07 72.24 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.52 1.137 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.09 -29.34 69.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.358 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.411 ' HG2' HD21 ' A' ' 30' ' ' LEU . 1.1 mtp -67.28 -39.12 86.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.997 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -110.85 38.94 2.36 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.15 . . . . 0.0 109.307 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.577 ' HB2' ' O ' ' A' ' 84' ' ' ALA . . . -111.05 -23.81 10.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.501 ' HA ' ' C ' ' A' ' 90' ' ' PRO . 0.1 OUTLIER -42.0 154.35 0.26 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -75.05 155.1 99.93 Favored 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 120.987 -2.506 . . . . 0.0 111.045 0.02 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.607 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 8.0 m170 -103.0 118.98 38.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.63 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.59 ' O ' ' CE1' ' A' ' 47' ' ' TYR . 74.7 p -106.82 125.53 51.13 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.507 1.129 . . . . 0.0 110.047 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.561 HG12 ' CD2' ' A' ' 47' ' ' TYR . 12.7 mt -134.51 123.7 43.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 59.28 29.99 19.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 109.273 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.43 -8.77 60.55 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.488 1.118 . . . . 0.0 110.987 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.447 ' O ' ' HA ' ' A' ' 92' ' ' SER . 0.0 OUTLIER -80.48 158.46 25.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.776 . . . . 0.0 110.32 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 99.3 t -105.84 84.58 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.886 HG12 ' O ' ' A' ' 34' ' ' GLY . 1.1 m -83.58 170.54 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -151.52 111.2 2.98 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.287 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.466 ' HD2' ' CD ' ' A' ' 89' ' ' ARG . 18.2 Cg_endo -75.01 157.72 42.56 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.518 1.799 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.4 mmmt -134.44 160.21 38.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.43 ' O ' HG23 ' A' ' 75' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.267 -0.271 . . . . 0.0 110.267 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.442 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -125.69 121.82 34.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.6 HD22 HG23 ' A' ' 82' ' ' VAL . 6.7 mp -119.18 149.21 42.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.589 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 20.9 t80 -109.8 104.59 13.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 111.027 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.661 HG22 HD21 ' A' ' 35' ' ' LEU . 5.6 mm -82.19 131.66 33.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.55 142.0 13.27 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.488 1.117 . . . . 0.0 110.973 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.51 ' O ' HG12 ' A' ' 98' ' ' VAL . . . 87.77 58.8 1.77 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.661 HD21 HG22 ' A' ' 32' ' ' ILE . 7.0 mt -95.95 8.83 42.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 0.796 . . . . 0.0 109.345 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.569 ' O ' ' CG ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 76.26 -69.91 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.047 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.569 ' CG ' ' O ' ' A' ' 36' ' ' SER . 0.2 OUTLIER 159.86 -25.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 39' ' ' THR . 0.0 OUTLIER -85.66 -49.48 7.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 110.256 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.407 ' CG2' HD13 ' A' ' 35' ' ' LEU . 1.0 OUTLIER -36.88 99.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.387 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 41' ' ' GLU . 0.7 OUTLIER -84.55 160.98 20.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 110.388 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.515 ' HG3' HG12 ' A' ' 59' ' ' VAL . 1.2 tt0 -37.54 -66.42 0.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -48.16 -59.09 3.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.105 . . . . 0.0 110.264 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.8 m -40.74 -56.83 2.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.955 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.508 HD13 ' CD1' ' A' ' 35' ' ' LEU . 7.1 tp -49.08 -52.73 23.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.519 ' CG ' HD12 ' A' ' 54' ' ' LEU . 14.9 mtp180 -55.52 -49.96 71.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -47.93 -25.8 1.48 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.823 ' CD2' HD11 ' A' ' 93' ' ' ILE . 18.4 t80 -91.76 -45.34 8.47 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.49 1.119 . . . . 0.0 111.031 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.471 ' CB ' HD11 ' A' ' 54' ' ' LEU . 21.5 m-85 -89.47 23.08 2.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.137 . . . . 0.0 111.013 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 45' ' ' ARG . 1.4 mt-10 -99.32 -22.28 15.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.424 ' HG2' ' N ' ' A' ' 51' ' ' TRP . 0.4 OUTLIER -76.05 -30.8 58.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.638 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 7.8 m0 -79.34 -38.65 34.64 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -179.56 155.57 16.06 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 111.027 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.12 118.11 19.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 0.793 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.519 HD12 ' CG ' ' A' ' 45' ' ' ARG . 11.1 mt -77.0 105.05 7.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 73.2 p -63.89 -28.74 70.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.431 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -146.71 115.85 6.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 43.1 t -127.76 127.13 43.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 108.292 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.0 t -127.06 131.31 70.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.515 HG12 ' HG3' ' A' ' 41' ' ' GLU . 10.8 p -114.26 113.86 45.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.579 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 33.6 mmt -68.77 145.92 53.36 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.5 mtt85 -126.4 161.81 27.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.322 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.474 ' HB3' ' CB ' ' A' ' 65' ' ' SER . 7.5 t0 -72.9 128.33 88.22 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -11.21 21.43 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.515 1.797 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -107.57 -36.1 6.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.474 ' CB ' ' HB3' ' A' ' 62' ' ' ASP . 0.1 OUTLIER -85.57 -40.73 15.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.983 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 62' ' ' ASP . 21.8 mttp 67.68 40.07 2.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -127.31 -73.24 0.61 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.28 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 m -164.81 144.47 7.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.981 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.1 -28.09 20.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 95.98 18.19 32.66 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.451 1.094 . . . . 0.0 111.027 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.602 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.2 OUTLIER -160.27 150.95 18.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 0.741 . . . . 0.0 110.97 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -162.17 -159.75 10.49 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.475 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 1.5 m-85 -127.8 143.37 51.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 0.804 . . . . 0.0 111.005 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.501 ' CG1' HD21 ' A' ' 44' ' ' LEU . 21.1 m -124.62 110.58 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.43 HG23 ' O ' ' A' ' 28' ' ' ARG . 12.9 m -96.28 103.39 15.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.352 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.562 ' CE2' ' HA ' ' A' ' 82' ' ' VAL . 28.3 m-85 -68.95 167.77 15.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 111.037 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.4 t -79.49 -49.83 11.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.033 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.55 173.91 6.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 109.991 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.428 ' HA ' ' CG1' ' A' ' 82' ' ' VAL . 0.3 OUTLIER -83.68 -17.74 40.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.984 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.69 -60.87 2.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.607 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 1.3 mt-10 -45.69 -61.68 1.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.108 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.6 HG23 HD22 ' A' ' 30' ' ' LEU . 6.0 p -47.02 -49.37 7.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.411 ' N ' HG13 ' A' ' 82' ' ' VAL . 0.2 OUTLIER -53.06 -33.43 51.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.607 ' HB3' ' O ' ' A' ' 81' ' ' GLU . . . -65.94 -63.33 1.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -43.08 -46.84 5.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.423 ' HG2' HD21 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -51.82 -45.38 63.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -104.38 50.71 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -138.74 30.03 2.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.501 ' CB ' ' HA ' ' A' ' 90' ' ' PRO . 7.4 mtm180 -89.19 160.94 41.8 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.279 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.501 ' HA ' ' CB ' ' A' ' 89' ' ' ARG . 18.4 Cg_endo -74.99 -174.29 13.85 Favored 'Cis proline' 0 C--N 1.359 1.131 0 C-N-CA 120.979 -2.509 . . . . 0.0 111.009 -0.039 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.638 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 23.1 m170 -129.34 124.56 34.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.549 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' A' ' 96' ' ' ARG . 8.8 p -114.9 115.62 27.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 110.032 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.823 HD11 ' CD2' ' A' ' 47' ' ' TYR . 9.4 mt -136.89 142.01 39.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.0 t0 65.47 16.11 10.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.145 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.98 5.44 89.31 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.53 1.143 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.494 ' CZ ' ' HB2' ' A' ' 96' ' ' ARG . 0.1 OUTLIER -113.9 169.64 8.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 0.759 . . . . 0.0 110.257 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.43 ' O ' ' NH2' ' A' ' 96' ' ' ARG . 62.2 t -98.38 98.49 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.51 HG12 ' O ' ' A' ' 34' ' ' GLY . 3.0 m -75.02 -174.74 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -158.52 109.35 1.66 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 155.17 42.82 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.522 1.801 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 21.3 mttp -142.14 160.61 39.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.308 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.3 mtt180 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.71 114.66 16.26 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.682 HD22 HG23 ' A' ' 82' ' ' VAL . 5.8 mp -107.95 155.77 19.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.8 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 35.0 t80 -112.84 103.81 11.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 110.979 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.67 HG22 HD21 ' A' ' 35' ' ' LEU . 9.1 mm -77.65 130.6 36.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.1 134.26 8.56 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.449 1.093 . . . . 0.0 111.038 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.774 ' O ' HG12 ' A' ' 98' ' ' VAL . . . 89.93 72.29 1.26 Allowed Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.67 HD21 HG22 ' A' ' 32' ' ' ILE . 5.7 mt -104.81 -1.15 26.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 0.769 . . . . 0.0 109.32 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.539 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 0.3 OUTLIER 65.12 8.98 5.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.981 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.539 ' CG ' ' C ' ' A' ' 36' ' ' SER . 3.2 m-85 74.04 -2.01 2.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 40' ' ' THR . 9.2 mt-10 -98.04 -67.85 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.473 HG22 ' HB2' ' A' ' 44' ' ' LEU . 1.4 m -37.99 97.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.455 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.438 ' N ' ' O ' ' A' ' 38' ' ' GLU . 70.9 p -79.33 -172.51 3.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.407 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.435 ' CG ' HG12 ' A' ' 59' ' ' VAL . 51.6 mt-10 -56.31 -51.27 68.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 110.307 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 43' ' ' SER . 3.9 tt0 -65.22 -67.86 0.41 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 110.321 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 42' ' ' GLU . 13.9 m -37.91 -41.35 0.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.155 . . . . 0.0 109.97 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.659 HD21 ' CG1' ' A' ' 74' ' ' VAL . 1.5 tp -64.76 -63.23 1.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.485 ' CG ' HD12 ' A' ' 54' ' ' LEU . 9.9 mtp180 -47.6 -46.83 28.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 110.262 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -44.09 -27.12 0.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.812 ' CD2' HD11 ' A' ' 93' ' ' ILE . 45.6 t80 -94.47 -45.6 7.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.653 ' CB ' HD11 ' A' ' 54' ' ' LEU . 81.5 m-85 -87.88 23.16 2.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.974 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 45' ' ' ARG . 3.9 mt-10 -99.46 -18.69 17.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 110.279 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -72.24 -58.49 3.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 110.273 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.535 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 6.8 m-90 -54.7 -44.39 73.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 108.012 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -169.63 163.44 36.97 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.01 114.27 24.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 0.747 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.723 HD13 ' CG1' ' A' ' 74' ' ' VAL . 14.9 mt -70.38 106.87 3.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 75' ' ' THR . 3.4 p -56.88 -21.12 27.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.401 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -160.84 126.16 3.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.352 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 30.8 p -127.29 120.0 27.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 108.312 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.8 t -122.13 141.58 41.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.485 HG13 ' O ' ' A' ' 59' ' ' VAL . 13.4 p -124.3 112.9 34.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.303 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.58 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 33.7 mmt -64.3 155.29 32.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.1 mtt85 -140.05 137.71 34.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.317 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.53 126.64 1.83 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -16.41 20.2 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.447 1.761 . . . . 0.0 110.972 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -104.58 -46.21 4.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.83 -31.95 61.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.003 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 58.03 36.26 25.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 28.5 mtt-85 -117.46 -72.63 0.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.563 1.164 . . . . 0.0 110.288 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.9 m -174.94 135.71 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.044 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.5 mtm180 -84.07 -39.83 19.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 106.9 22.66 7.49 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.469 1.106 . . . . 0.0 111.03 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.8 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 0.4 OUTLIER -157.44 151.2 24.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 0.0 110.963 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -158.33 -161.89 11.38 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.4 ' HA ' ' O ' ' A' ' 30' ' ' LEU . 4.6 m-85 -126.39 150.31 48.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 0.763 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.723 ' CG1' HD13 ' A' ' 54' ' ' LEU . 4.1 m -134.62 107.93 9.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 55' ' ' THR . 6.7 m -95.17 100.82 12.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 110.444 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.552 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 22.0 m-85 -67.42 172.86 4.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.1 t -87.81 -40.0 14.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.037 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.83 165.27 15.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 0.0 110.041 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.404 ' HA ' ' CG1' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -80.97 -23.59 38.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.981 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.8 -60.57 2.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.319 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.586 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 22.2 mt-10 -44.78 -60.52 1.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.682 HG23 HD22 ' A' ' 30' ' ' LEU . 6.1 p -47.83 -47.0 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.168 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -54.4 -37.51 65.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.586 ' HB3' ' O ' ' A' ' 81' ' ' GLU . . . -57.98 -66.25 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -40.18 -53.36 2.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.497 ' SD ' ' CD2' ' A' ' 30' ' ' LEU . 95.6 mmm -48.31 -54.01 15.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.425 1.078 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.41 47.59 1.5 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.525 ' O ' ' CD2' ' A' ' 91' ' ' HIS . . . -148.67 57.63 1.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.487 ' HA ' ' C ' ' A' ' 90' ' ' PRO . 11.0 mtm-85 -106.47 155.7 38.32 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 110.313 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.487 ' C ' ' HA ' ' A' ' 89' ' ' ARG . 18.4 Cg_endo -75.0 -167.85 6.0 Favored 'Cis proline' 0 C--N 1.359 1.13 0 C-N-CA 121.056 -2.477 . . . . 0.0 110.993 0.05 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.535 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 0.8 OUTLIER -128.64 115.66 18.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.609 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.496 ' O ' ' CE1' ' A' ' 47' ' ' TYR . 81.1 p -109.47 120.48 42.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.978 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.812 HD11 ' CD2' ' A' ' 47' ' ' TYR . 33.2 mt -137.15 133.39 47.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 56.5 25.68 10.02 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 74.72 25.55 69.48 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.54 1.15 . . . . 0.0 110.972 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.475 ' HG3' ' CB ' ' A' ' 36' ' ' SER . 0.4 OUTLIER -119.42 144.69 46.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 0.772 . . . . 0.0 110.292 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.413 ' O ' HG12 ' A' ' 97' ' ' VAL . 73.4 t -86.19 76.01 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 109.235 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.774 HG12 ' O ' ' A' ' 34' ' ' GLY . 2.4 m -73.9 167.9 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -148.61 112.46 3.69 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.424 ' HG3' ' ND1' ' A' ' 91' ' ' HIS . 18.3 Cg_endo -75.02 157.16 42.84 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.465 1.771 . . . . 0.0 110.975 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -142.29 178.25 7.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 179.992 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.606 ' CZ ' ' CE ' ' A' ' 79' ' ' MET . 5.3 mmp_? . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.0 ttpt -130.75 115.96 17.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.41 ' N ' ' CD1' ' A' ' 30' ' ' LEU . 0.4 OUTLIER -108.09 134.59 50.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.763 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 10.7 t80 -94.33 102.7 14.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 111.012 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.587 HD11 ' CG2' ' A' ' 74' ' ' VAL . 3.4 mm -76.94 134.46 28.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.29 126.64 5.82 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.468 1.105 . . . . 0.0 110.966 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.615 ' O ' HG12 ' A' ' 98' ' ' VAL . . . 90.57 78.02 1.35 Allowed Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.57 HD21 HG22 ' A' ' 32' ' ' ILE . 4.8 mt -104.84 1.14 28.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 0.0 109.304 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.515 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 78.38 -1.34 2.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 0.0 110.047 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.515 ' CG ' ' C ' ' A' ' 36' ' ' SER . 1.2 m-85 75.59 -2.33 2.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 40' ' ' THR . 0.6 OUTLIER -105.99 -63.88 1.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 0.0 110.27 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.684 HG21 HG21 ' A' ' 93' ' ' ILE . 2.2 m -38.37 97.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.357 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.43 ' N ' ' O ' ' A' ' 38' ' ' GLU . 36.7 p -68.33 -174.66 0.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 110.398 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.712 ' CG ' HG12 ' A' ' 59' ' ' VAL . 67.2 mt-10 -57.6 -49.73 75.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 110.294 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 45' ' ' ARG . 4.2 tt0 -65.6 -60.75 2.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.297 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.9 m -43.76 -29.47 0.53 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.016 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.564 HD21 ' CG1' ' A' ' 74' ' ' VAL . 0.4 OUTLIER -80.1 -43.52 21.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.276 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.957 ' HG2' HD12 ' A' ' 54' ' ' LEU . 22.0 mtm180 -62.42 -44.84 95.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -47.48 -27.21 1.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.793 ' CD2' HD11 ' A' ' 93' ' ' ILE . 75.1 t80 -91.53 -47.25 7.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.598 ' CB ' HD11 ' A' ' 54' ' ' LEU . 53.3 m-85 -89.29 26.68 1.59 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.965 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 45' ' ' ARG . 1.6 mt-10 -98.95 -13.7 19.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.459 ' CG ' ' N ' ' A' ' 51' ' ' TRP . 20.6 pt20 -82.92 -47.55 11.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.619 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 5.4 m-90 -65.26 -13.68 58.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 108.019 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 158.36 161.34 10.94 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.435 1.084 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.16 104.05 16.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 0.748 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.957 HD12 ' HG2' ' A' ' 45' ' ' ARG . 26.2 mt -59.08 115.02 2.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.438 ' H ' ' HG1' ' A' ' 55' ' ' THR . 62.4 p -72.14 -29.57 64.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.353 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -145.25 118.07 8.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 30.5 p -122.9 116.55 23.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.565 1.165 . . . . 0.0 108.324 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 8.1 t -123.66 140.86 45.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.16 . . . . 0.0 109.27 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.712 HG12 ' CG ' ' A' ' 41' ' ' GLU . 11.6 p -124.65 116.66 48.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.577 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 34.0 mmt -69.77 141.3 53.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 -133.87 153.56 51.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 110.307 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.443 ' CB ' ' HB2' ' A' ' 65' ' ' SER . 40.3 m-20 -61.65 132.89 93.28 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -20.1 17.25 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.519 1.8 . . . . 0.0 110.977 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -105.19 -43.8 4.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.443 ' HB2' ' CB ' ' A' ' 62' ' ' ASP . 0.1 OUTLIER -73.76 -32.82 64.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.981 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.68 11.89 7.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.3 134.26 55.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.337 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 42.0 m -39.17 132.74 1.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.983 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -72.37 -32.07 66.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 34' ' ' GLY . . . 112.78 25.12 4.67 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.534 1.146 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.763 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -160.08 145.01 14.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 0.738 . . . . 0.0 110.976 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -156.48 -159.05 9.18 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -128.64 149.38 50.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 0.767 . . . . 0.0 110.961 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.638 ' CG1' HD13 ' A' ' 54' ' ' LEU . 3.7 m -134.15 111.8 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 28' ' ' ARG . 3.5 m -96.67 107.96 20.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.105 . . . . 0.0 110.422 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.583 ' CB ' HG12 ' A' ' 82' ' ' VAL . 13.4 m-85 -74.02 172.9 10.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.6 -48.62 6.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.045 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.417 ' CB ' ' HG2' ' A' ' 81' ' ' GLU . 0.1 OUTLIER -96.19 170.65 9.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 110.002 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.606 ' CE ' ' CZ ' ' A' ' 28' ' ' ARG . 0.7 OUTLIER -88.12 -16.12 34.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -90.43 -29.25 18.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.565 ' HB3' ' CD1' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -63.55 -24.78 67.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.583 HG12 ' CB ' ' A' ' 76' ' ' PHE . 2.0 m -91.73 -44.48 14.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.75 -24.04 63.72 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 87' ' ' ALA . . . -74.23 -67.73 0.59 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -41.78 -45.59 3.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.424 ' CE ' ' HG3' ' A' ' 102' ' ' ARG . 0.7 OUTLIER -48.82 -42.8 37.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 110.996 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . -109.43 48.96 0.85 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.554 ' O ' ' CD2' ' A' ' 91' ' ' HIS . . . -133.56 41.98 3.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.479 ' CB ' ' HA ' ' A' ' 90' ' ' PRO . 0.4 OUTLIER -95.99 159.84 31.36 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.129 . . . . 0.0 110.27 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.479 ' HA ' ' CB ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -74.99 -174.89 14.94 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 120.985 -2.506 . . . . 0.0 111.036 -0.035 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.624 ' O ' HG22 ' A' ' 98' ' ' VAL . 6.9 m170 -130.99 114.78 15.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.594 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.449 ' O ' HD13 ' A' ' 93' ' ' ILE . 85.3 p -101.67 125.34 48.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 110.023 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.793 HD11 ' CD2' ' A' ' 47' ' ' TYR . 21.7 mm -133.53 123.25 45.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 22.9 t0 67.53 9.27 6.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 101.7 -14.75 57.54 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.503 1.127 . . . . 0.0 110.961 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 96' ' ' ARG . 0.0 OUTLIER -86.81 166.28 15.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.773 . . . . 0.0 110.287 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 79.1 t -99.6 102.41 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.624 HG22 ' O ' ' A' ' 91' ' ' HIS . 2.7 m -84.12 -174.28 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -158.86 109.3 1.6 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 153.47 41.65 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.509 1.794 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -139.9 172.81 12.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.424 ' HG3' ' CE ' ' A' ' 86' ' ' MET . 6.2 mtt180 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.338 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.555 ' O ' HG23 ' A' ' 75' ' ' THR . 3.9 mtp180 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.575 ' HE3' ' CD2' ' A' ' 73' ' ' PHE . 24.1 tttt -138.66 132.26 30.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.452 HD13 ' CG2' ' A' ' 82' ' ' VAL . 6.9 mp -123.42 157.62 33.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.79 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 14.0 t80 -111.76 101.89 10.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.735 HD11 ' CG2' ' A' ' 74' ' ' VAL . 4.1 mm -74.9 135.07 28.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.43 136.88 9.52 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.513 1.133 . . . . 0.0 111.031 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 70' ' ' GLY . . . 82.28 74.65 1.17 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.606 HD21 HG22 ' A' ' 32' ' ' ILE . 9.5 mt -102.66 -0.68 31.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 0.772 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.539 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 6.7 t 68.14 -0.35 2.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.962 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.539 ' CG ' ' C ' ' A' ' 36' ' ' SER . 1.7 m-85 69.09 -1.1 2.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -111.53 24.01 13.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.45 ' CG2' ' HB2' ' A' ' 44' ' ' LEU . 1.1 m -124.17 113.99 19.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.432 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 57.1 p -85.45 157.87 20.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.424 1.078 . . . . 0.0 110.415 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.701 ' CG ' HG12 ' A' ' 59' ' ' VAL . 60.0 mt-10 -41.31 -46.72 3.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.128 . . . . 0.0 110.288 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -63.71 -68.0 0.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.291 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.6 m -40.53 -34.37 0.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.999 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.451 HD21 ' CG1' ' A' ' 74' ' ' VAL . 0.2 OUTLIER -74.49 -57.51 3.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 109.333 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.88 ' HG2' HD12 ' A' ' 54' ' ' LEU . 5.3 mtp180 -48.93 -45.02 41.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 110.332 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -49.77 -26.17 3.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.267 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -87.18 -47.22 9.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 110.993 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.671 ' HB2' HD11 ' A' ' 54' ' ' LEU . 71.7 m-85 -90.93 24.06 2.92 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.5 1.125 . . . . 0.0 110.955 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 45' ' ' ARG . 1.4 mt-10 -99.15 -22.79 15.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.15 . . . . 0.0 110.338 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -76.0 -30.96 58.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 110.274 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.652 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 8.0 m0 -78.62 -43.83 25.38 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -170.91 153.78 21.47 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.543 1.152 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.42 113.36 13.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 0.747 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.88 HD12 ' HG2' ' A' ' 45' ' ' ARG . 19.3 mt -74.31 115.96 14.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.6 p -74.25 -29.93 61.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 110.427 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -143.17 118.48 10.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 8.7 p -128.01 118.55 23.73 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 108.323 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 8.5 t -124.58 140.82 46.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 109.27 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.701 HG12 ' CG ' ' A' ' 41' ' ' GLU . 9.8 p -124.41 120.33 58.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.584 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 35.1 mmt -73.1 150.33 42.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.418 ' HA ' ' N ' ' A' ' 69' ' ' ARG . 34.4 mtt180 -130.55 141.8 50.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.257 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -41.82 139.65 1.57 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -11.05 21.42 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.522 1.801 . . . . 0.0 110.974 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -111.65 -49.81 2.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.05 -44.18 55.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.977 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.22 25.75 5.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -129.99 77.29 1.78 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.405 ' C ' ' HA ' ' A' ' 61' ' ' ARG . 18.2 m 61.56 137.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.978 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -100.7 -23.07 14.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 34' ' ' GLY . . . 106.09 9.06 32.8 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.449 1.093 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.79 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -158.96 149.02 19.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 0.783 . . . . 0.0 110.989 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -156.05 -160.62 10.12 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.537 1.148 . . . . 0.0 110.954 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.575 ' CD2' ' HE3' ' A' ' 29' ' ' LYS . 5.7 m-85 -128.92 147.21 50.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.735 ' CG2' HD11 ' A' ' 32' ' ' ILE . 13.6 m -131.91 121.1 46.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.555 HG23 ' O ' ' A' ' 28' ' ' ARG . 5.4 m -107.48 105.02 14.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 110.395 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.569 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 57.3 m-85 -71.89 179.74 3.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.4 t -90.64 -48.27 7.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.981 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.2 m -117.92 167.98 10.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.107 . . . . 0.0 109.991 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.465 ' HA ' ' CG1' ' A' ' 82' ' ' VAL . 0.2 OUTLIER -80.53 -17.15 52.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.91 -56.12 5.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.509 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 41.8 mt-10 -51.09 -58.66 5.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.276 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.569 ' HB ' ' CD2' ' A' ' 76' ' ' PHE . 7.1 p -52.75 -41.05 37.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.28 -32.77 70.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 81' ' ' GLU . . . -65.78 -57.08 8.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -47.63 -48.62 28.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.2 mtp -49.92 -38.84 38.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -108.58 48.7 0.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.478 ' O ' ' CD2' ' A' ' 91' ' ' HIS . . . -137.62 35.68 2.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.481 ' HA ' ' C ' ' A' ' 90' ' ' PRO . 4.6 mtm-85 -90.94 159.55 39.88 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.318 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.481 ' C ' ' HA ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -75.05 -176.85 18.94 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 120.958 -2.517 . . . . 0.0 111.006 0.009 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.652 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 13.0 m170 -125.75 117.01 22.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.113 . . . . 0.0 109.563 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.4 p -108.26 116.07 31.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.032 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.542 ' HB ' HG11 ' A' ' 98' ' ' VAL . 10.4 mt -137.01 142.83 36.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 38.6 t70 63.46 13.84 7.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 85.68 5.09 84.68 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.495 ' CZ ' ' HB2' ' A' ' 96' ' ' ARG . 0.1 OUTLIER -112.65 168.5 9.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 0.793 . . . . 0.0 110.29 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 66.3 t -97.02 92.81 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.542 HG11 ' HB ' ' A' ' 93' ' ' ILE . 1.5 m -73.84 -175.76 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.405 ' OE1' ' C ' ' A' ' 98' ' ' VAL . 1.7 pm0 -158.35 109.71 1.69 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 110.313 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 153.72 42.1 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.529 1.805 . . . . 0.0 111.054 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.0 mmmt -138.48 166.16 25.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.253 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 -179.967 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.57 114.68 23.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.432 HD13 ' CG2' ' A' ' 82' ' ' VAL . 9.2 mp -109.43 137.94 46.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.649 ' CE2' ' CD1' ' A' ' 71' ' ' PHE . 29.2 t80 -96.73 110.56 22.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.638 HG22 HD21 ' A' ' 35' ' ' LEU . 8.3 mm -81.5 130.73 35.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.3 132.57 9.39 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 70' ' ' GLY . . . 82.83 74.94 1.18 Allowed Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.638 HD21 HG22 ' A' ' 32' ' ' ILE . 6.8 mt -99.01 0.87 44.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 0.773 . . . . 0.0 109.266 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.531 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 0.2 OUTLIER 71.95 -3.18 2.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 109.987 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.631 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 0.2 OUTLIER 71.21 -1.06 2.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.417 ' CB ' ' OD2' ' A' ' 94' ' ' ASP . 0.3 OUTLIER -116.52 22.16 12.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.575 1.172 . . . . 0.0 110.284 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.8 107.33 13.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.414 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -85.72 176.22 8.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.429 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.492 ' OE2' ' N ' ' A' ' 59' ' ' VAL . 64.3 mm-40 -51.44 -61.15 2.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.254 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -46.91 -45.65 20.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.319 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 75.7 m -64.09 -53.92 42.13 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.48 1.112 . . . . 0.0 109.988 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.714 HD21 ' CG1' ' A' ' 74' ' ' VAL . 1.1 tp -57.56 -39.66 77.18 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.471 ' O ' ' N ' ' A' ' 49' ' ' GLU . 1.3 mtm105 -69.15 -54.7 13.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -45.59 -25.92 0.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.744 ' CE2' HD11 ' A' ' 93' ' ' ILE . 87.3 t80 -88.84 -50.81 5.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.575 ' CB ' HD11 ' A' ' 54' ' ' LEU . 29.9 m-85 -88.58 24.44 1.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 45' ' ' ARG . 2.2 mt-10 -99.36 -24.66 14.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.415 ' CD ' ' O ' ' A' ' 47' ' ' TYR . 1.5 pt20 -74.67 -29.98 61.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.316 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.649 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 7.2 m0 -81.38 -36.1 30.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 108.007 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 178.82 163.38 29.89 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.474 1.108 . . . . 0.0 111.015 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.5 113.16 21.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 0.788 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.575 HD11 ' CB ' ' A' ' 48' ' ' TYR . 18.6 mt -69.98 113.01 6.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.423 ' N ' ' O ' ' A' ' 75' ' ' THR . 18.6 p -74.19 -13.29 60.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.417 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -159.39 115.67 2.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.408 ' SG ' ' OE1' ' A' ' 41' ' ' GLU . 28.4 p -128.04 119.86 26.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 108.28 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.2 t -128.97 129.92 68.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.492 ' N ' ' OE2' ' A' ' 41' ' ' GLU . 6.3 p -116.76 115.04 47.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.575 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 33.5 mmt -68.69 144.21 54.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.98 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -125.47 140.22 52.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 110.28 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.469 ' CB ' ' HB2' ' A' ' 65' ' ' SER . 2.9 m-20 -40.2 145.12 0.5 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -27.72 9.87 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.53 1.805 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -113.39 -49.09 2.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.511 ' O ' ' CG ' ' A' ' 67' ' ' ARG . 0.4 OUTLIER -66.44 -23.21 66.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.976 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.487 ' HG3' ' C ' ' A' ' 65' ' ' SER . 0.0 OUTLIER 35.21 33.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.511 ' CG ' ' O ' ' A' ' 65' ' ' SER . 6.0 mtt180 -121.14 46.32 2.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.6 m 71.28 132.71 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 110.019 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.31 -39.73 24.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.328 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 34' ' ' GLY . . . 114.12 13.49 9.95 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.649 ' CD1' ' CE2' ' A' ' 31' ' ' PHE . 0.5 OUTLIER -156.29 149.77 24.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 0.777 . . . . 0.0 110.997 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -156.37 -158.54 8.9 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.4 ' HA ' ' O ' ' A' ' 30' ' ' LEU . 12.7 m-85 -133.92 145.25 49.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 0.752 . . . . 0.0 111.016 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.714 ' CG1' HD21 ' A' ' 44' ' ' LEU . 16.7 m -133.68 114.63 20.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 55' ' ' THR . 1.8 m -105.29 105.63 15.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.367 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.517 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 40.4 m-85 -69.08 170.29 10.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.969 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.04 -41.63 17.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.952 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.6 160.55 21.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.992 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.404 ' O ' ' CG1' ' A' ' 82' ' ' VAL . 2.4 tpt -76.06 -23.01 55.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 110.974 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.76 -61.87 1.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.461 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 1.2 mp0 -43.07 -61.25 1.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.332 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.517 ' HB ' ' CD2' ' A' ' 76' ' ' PHE . 6.3 p -47.89 -37.96 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -62.47 -36.17 81.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 81' ' ' GLU . . . -60.36 -55.6 31.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.25 -42.58 66.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -55.47 -35.1 65.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -116.68 50.12 1.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -139.35 29.85 2.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.509 ' CB ' ' HA ' ' A' ' 90' ' ' PRO . 10.6 mtm180 -86.63 160.9 49.53 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.308 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.509 ' HA ' ' CB ' ' A' ' 89' ' ' ARG . 18.2 Cg_endo -74.97 178.79 33.12 Favored 'Cis proline' 0 C--N 1.359 1.118 0 C-N-CA 121.011 -2.495 . . . . 0.0 111.025 -0.011 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.649 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 9.7 m170 -121.83 128.82 52.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.56 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.404 ' HA ' ' O ' ' A' ' 96' ' ' ARG . 13.4 p -123.22 120.64 33.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.987 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.744 HD11 ' CE2' ' A' ' 47' ' ' TYR . 7.0 mt -137.06 148.72 26.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.417 ' OD2' ' CB ' ' A' ' 38' ' ' GLU . 4.6 t0 62.91 14.64 7.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.98 11.91 80.53 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.132 . . . . 0.0 110.97 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.508 ' CZ ' ' HB2' ' A' ' 96' ' ' ARG . 0.1 OUTLIER -121.63 168.65 11.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 0.75 . . . . 0.0 110.343 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.406 ' O ' ' NH2' ' A' ' 96' ' ' ARG . 47.8 t -94.77 105.95 17.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.477 HG23 ' N ' ' A' ' 99' ' ' GLU . 1.3 m -92.43 -172.05 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.477 ' N ' HG23 ' A' ' 98' ' ' VAL . 2.0 pm0 -158.43 109.46 1.67 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.411 ' HG3' ' ND1' ' A' ' 91' ' ' HIS . 18.3 Cg_endo -74.98 157.27 42.94 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.548 1.815 . . . . 0.0 111.004 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 11.9 mmtm -136.1 152.51 50.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.256 -179.968 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.511 ' O ' HG23 ' A' ' 75' ' ' THR . 89.2 mtt180 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.81 117.11 11.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.627 HD22 HG23 ' A' ' 82' ' ' VAL . 6.3 mp -112.25 162.64 15.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.798 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 33.1 t80 -118.23 101.86 8.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.984 HG21 HD11 ' A' ' 44' ' ' LEU . 15.0 mm -75.64 131.74 34.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -135.22 113.03 1.06 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.673 ' O ' HG12 ' A' ' 98' ' ' VAL . . . 127.19 38.26 0.43 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.775 HD11 HG22 ' A' ' 32' ' ' ILE . 1.3 mp -83.07 7.24 16.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 0.792 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.551 ' O ' ' CG ' ' A' ' 37' ' ' PHE . 0.3 OUTLIER 68.19 -64.43 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.979 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.551 ' CG ' ' O ' ' A' ' 36' ' ' SER . 0.2 OUTLIER 164.0 -27.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 111.033 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.535 ' O ' HG23 ' A' ' 40' ' ' THR . 3.4 tt0 -87.2 -53.12 5.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.348 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.645 ' OG1' HG22 ' A' ' 93' ' ' ILE . 1.2 m -37.91 99.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.391 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.535 HG23 ' O ' ' A' ' 38' ' ' GLU . 81.0 p -84.53 -158.8 0.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.417 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.675 ' CG ' HG12 ' A' ' 59' ' ' VAL . 53.2 mt-10 -67.87 -51.02 53.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.343 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 43' ' ' SER . 23.8 tt0 -63.58 -63.63 1.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.31 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 42' ' ' GLU . 28.8 m -38.63 -42.69 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.009 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.984 HD11 HG21 ' A' ' 32' ' ' ILE . 2.0 tp -70.15 -53.3 17.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.973 ' HG2' HD12 ' A' ' 54' ' ' LEU . 4.6 mtp-105 -53.92 -51.21 64.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.268 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -42.81 -28.08 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.757 ' CD2' HD11 ' A' ' 93' ' ' ILE . 31.8 t80 -94.43 -44.06 8.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.474 ' CB ' HD11 ' A' ' 54' ' ' LEU . 38.2 m-85 -87.26 21.44 2.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 45' ' ' ARG . 3.0 mt-10 -99.71 -43.72 6.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -49.55 -45.5 47.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.248 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.824 ' CZ2' ' HB1' ' A' ' 88' ' ' ALA . 3.8 m-90 -65.1 -45.46 85.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 107.981 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -174.2 153.34 16.5 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.41 120.28 22.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 0.779 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.973 HD12 ' HG2' ' A' ' 45' ' ' ARG . 7.5 mt -78.23 112.54 15.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 75' ' ' THR . 13.6 p -53.53 -26.43 21.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.402 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -161.06 134.21 6.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.431 ' SG ' HD23 ' A' ' 44' ' ' LEU . 35.5 t -128.39 122.41 31.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 108.33 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.4 t -119.16 137.46 53.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.675 HG12 ' CG ' ' A' ' 41' ' ' GLU . 10.4 p -124.75 113.72 37.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.575 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 35.5 mmt -64.07 146.72 53.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 111.026 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.407 ' HA ' ' N ' ' A' ' 69' ' ' ARG . 31.4 mtp180 -130.19 133.78 46.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.419 ' N ' ' HG2' ' A' ' 69' ' ' ARG . 44.0 m-20 -47.1 132.53 9.15 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.235 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -9.11 20.62 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.47 1.774 . . . . 0.0 110.991 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -108.81 -48.37 3.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 m -79.47 -43.91 22.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.006 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.5 mttp 67.92 28.61 6.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.8 mtp180 -126.89 56.96 1.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.272 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.6 m 63.64 131.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 110.037 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.419 ' HG2' ' N ' ' A' ' 62' ' ' ASP . 2.3 mtm180 -80.4 -18.3 49.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 98.1 14.89 37.69 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.798 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 1.8 p90 -160.78 154.14 21.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 0.782 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -161.7 -160.66 11.08 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.532 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 0.5 OUTLIER -127.94 148.92 50.52 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 0.774 . . . . 0.0 111.02 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.605 ' CG1' HD21 ' A' ' 44' ' ' LEU . 18.9 m -128.54 118.4 47.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.511 HG23 ' O ' ' A' ' 28' ' ' ARG . 2.8 m -102.76 100.02 10.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 110.424 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.542 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 11.2 m-85 -68.99 168.97 12.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 111.028 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.21 -51.69 8.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 110.017 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.47 172.16 7.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.982 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.41 ' HA ' ' CG1' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -82.52 -21.87 35.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.979 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.16 -64.13 0.93 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.535 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 2.5 mt-10 -41.93 -62.46 0.91 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.627 HG23 HD22 ' A' ' 30' ' ' LEU . 6.4 p -48.97 -48.83 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.85 -32.61 45.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.535 ' HB3' ' O ' ' A' ' 81' ' ' GLU . . . -70.85 -50.27 37.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.355 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -54.33 -48.4 71.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.325 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.473 ' HG2' HD21 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -48.2 -41.15 26.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 0.0 111.025 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -109.44 50.29 0.79 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.824 ' HB1' ' CZ2' ' A' ' 51' ' ' TRP . . . -131.91 30.08 4.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.497 ' CB ' ' HA ' ' A' ' 90' ' ' PRO . 4.2 mtm180 -89.45 161.15 40.49 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.339 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.497 ' HA ' ' CB ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -75.03 177.58 38.46 Favored 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 120.976 -2.51 . . . . 0.0 111.012 0.025 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.58 ' CD2' ' O ' ' A' ' 88' ' ' ALA . 22.1 m170 -124.57 132.5 53.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.601 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.804 ' O ' HD13 ' A' ' 93' ' ' ILE . 13.9 p -121.2 116.42 24.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.985 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.804 HD13 ' O ' ' A' ' 92' ' ' SER . 5.3 mm -130.7 146.17 34.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 22.7 t70 59.28 16.28 4.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 78.94 24.25 62.29 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.453 1.095 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.401 ' HD2' ' O ' ' A' ' 34' ' ' GLY . 0.0 OUTLIER -132.45 159.93 37.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 0.78 . . . . 0.0 110.3 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 74.6 t -84.35 107.89 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.673 HG12 ' O ' ' A' ' 34' ' ' GLY . 1.1 m -92.88 -168.45 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.588 ' N ' HG23 ' A' ' 98' ' ' VAL . 1.7 mt-10 -157.6 108.97 1.82 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.105 . . . . 0.0 110.271 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.446 ' HG3' ' ND1' ' A' ' 91' ' ' HIS . 18.4 Cg_endo -75.0 141.12 26.25 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.432 1.754 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -134.17 177.67 7.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.4 mtp85 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.571 ' HE2' ' CD1' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -86.06 114.86 23.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.773 HD22 HG23 ' A' ' 82' ' ' VAL . 1.1 mp -100.73 141.37 33.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.675 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 23.3 t80 -100.11 108.51 20.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 111.005 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.472 HG22 HD21 ' A' ' 35' ' ' LEU . 7.1 mm -87.05 129.43 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.5 128.03 6.0 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.464 1.102 . . . . 0.0 110.958 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.727 ' O ' HG12 ' A' ' 98' ' ' VAL . . . 102.41 68.83 0.81 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.551 HD13 HG22 ' A' ' 39' ' ' THR . 12.2 mt -107.7 0.89 22.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 0.763 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.537 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 2.0 t 63.28 10.5 4.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.984 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.537 ' CG ' ' C ' ' A' ' 36' ' ' SER . 3.1 m-85 74.62 -2.16 2.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 39' ' ' THR . 0.9 OUTLIER -94.83 -70.48 0.71 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.551 HG22 HD13 ' A' ' 35' ' ' LEU . 0.9 OUTLIER -36.69 99.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.423 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 38' ' ' GLU . 37.6 p -78.63 -166.91 0.95 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 110.444 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.432 ' CG ' HG12 ' A' ' 59' ' ' VAL . 43.9 mt-10 -61.52 -55.04 35.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 45' ' ' ARG . 2.9 mt-10 -59.24 -63.75 1.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.1 m -39.77 -49.42 2.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 110.016 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.775 HD21 ' CG1' ' A' ' 74' ' ' VAL . 4.9 tp -59.83 -44.9 93.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.481 ' O ' ' N ' ' A' ' 49' ' ' GLU . 5.1 mtm180 -62.63 -58.18 8.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -42.35 -28.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.698 ' CD2' HD11 ' A' ' 93' ' ' ILE . 75.2 t80 -91.45 -47.4 7.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.653 ' CB ' HD11 ' A' ' 54' ' ' LEU . 20.5 m-85 -87.95 23.54 2.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 45' ' ' ARG . 1.8 mt-10 -99.52 -16.22 18.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -71.12 -61.13 1.88 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.657 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 13.6 m-90 -49.79 -45.3 49.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 107.98 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -170.78 170.43 43.15 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.55 1.156 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.15 120.65 29.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 0.77 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.653 HD11 ' CB ' ' A' ' 48' ' ' TYR . 14.5 mt -77.28 116.04 17.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 75' ' ' THR . 33.9 p -74.01 -18.94 60.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.41 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -155.31 119.06 4.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 29.0 p -125.45 117.3 23.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 108.304 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.8 t -126.77 141.04 47.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.473 HG13 ' O ' ' A' ' 59' ' ' VAL . 14.8 p -123.88 113.02 35.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.572 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 34.9 mmt -64.75 152.89 41.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.412 ' HA ' ' N ' ' A' ' 69' ' ' ARG . 33.9 mtt180 -140.1 159.18 42.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.467 ' CB ' ' HB2' ' A' ' 65' ' ' SER . 38.4 m-20 -67.06 128.08 93.72 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -20.66 16.53 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.479 1.778 . . . . 0.0 110.993 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -95.55 -43.26 8.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.467 ' HB2' ' CB ' ' A' ' 62' ' ' ASP . 0.3 OUTLIER -77.38 -44.87 27.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.007 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 76.32 32.57 0.58 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.4 mtt85 -115.08 -87.6 0.59 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.535 1.147 . . . . 0.0 110.26 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.69 149.36 20.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.0 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.412 ' N ' ' HA ' ' A' ' 61' ' ' ARG . 0.7 OUTLIER -91.52 -27.7 18.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.323 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.94 16.21 36.6 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.675 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 1.1 p90 -156.98 153.44 28.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 0.746 . . . . 0.0 110.962 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -160.6 -164.47 15.63 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.468 1.105 . . . . 0.0 110.988 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.571 ' CD1' ' HE2' ' A' ' 29' ' ' LYS . 4.5 m-85 -123.94 154.98 38.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 0.739 . . . . 0.0 111.025 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.775 ' CG1' HD21 ' A' ' 44' ' ' LEU . 18.1 m -144.28 108.07 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 55' ' ' THR . 3.2 m -94.58 106.74 18.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.385 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.529 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 24.5 m-85 -73.07 172.27 11.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.57 -34.32 27.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.005 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.56 171.9 10.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.03 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.48 ' HA ' ' CG1' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -88.1 -28.51 21.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.955 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.51 -63.81 1.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.643 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 0.5 OUTLIER -43.52 -61.91 1.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.085 . . . . 0.0 110.29 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.773 HG23 HD22 ' A' ' 30' ' ' LEU . 7.6 p -51.13 -47.36 32.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.15 -26.88 52.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.643 ' HB3' ' O ' ' A' ' 81' ' ' GLU . . . -71.3 -61.1 1.89 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -42.66 -45.52 4.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.607 ' CG ' HD21 ' A' ' 30' ' ' LEU . 5.3 mtp -50.74 -50.51 55.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -96.93 50.32 1.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.432 1.083 . . . . 0.0 109.28 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -141.23 41.67 1.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.516 ' NE ' ' HA ' ' A' ' 90' ' ' PRO . 5.7 mtp180 -92.1 156.67 41.93 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.516 ' HA ' ' NE ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -75.0 -173.69 12.78 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 120.986 -2.506 . . . . 0.0 110.968 0.01 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.657 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 0.4 OUTLIER -128.53 112.69 14.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.597 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.47 ' HA ' ' O ' ' A' ' 96' ' ' ARG . 94.2 p -106.78 121.97 45.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.037 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.698 HD11 ' CD2' ' A' ' 47' ' ' TYR . 53.6 mt -133.1 125.21 51.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.8 t70 60.49 16.17 6.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.25 16.73 56.99 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.47 1.106 . . . . 0.0 110.976 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.491 ' HG3' ' CB ' ' A' ' 36' ' ' SER . 0.1 OUTLIER -109.73 140.51 43.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 0.779 . . . . 0.0 110.324 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 84.8 t -84.19 75.98 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.727 HG12 ' O ' ' A' ' 34' ' ' GLY . 2.5 m -72.9 160.39 5.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.475 ' HG3' ' CZ ' ' A' ' 89' ' ' ARG . 2.7 mt-10 -133.19 108.62 12.5 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.424 ' HG3' ' ND1' ' A' ' 91' ' ' HIS . 18.2 Cg_endo -74.96 150.34 38.21 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.529 1.805 . . . . 0.0 110.971 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp -135.4 145.62 47.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.569 ' HB3' ' HE1' ' A' ' 86' ' ' MET . 7.3 ptp180 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.3 tttt -93.4 114.68 27.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.457 HD21 ' HG2' ' A' ' 86' ' ' MET . 8.3 mp -104.87 165.59 10.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.646 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 18.9 t80 -120.24 110.6 16.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 111.032 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.869 HG21 HD11 ' A' ' 44' ' ' LEU . 10.2 mm -82.87 126.03 40.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.36 118.35 2.78 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.893 ' O ' HG12 ' A' ' 98' ' ' VAL . . . 121.72 33.15 0.95 Allowed Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.657 HD11 HG22 ' A' ' 32' ' ' ILE . 2.1 mp -76.67 -1.36 27.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 0.786 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.566 ' O ' ' CD2' ' A' ' 37' ' ' PHE . 3.3 t 57.7 15.38 2.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.097 . . . . 0.0 110.0 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.566 ' CD2' ' O ' ' A' ' 36' ' ' SER . 4.1 m-85 74.83 -2.26 2.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.504 ' O ' HG23 ' A' ' 40' ' ' THR . 0.8 OUTLIER -97.13 -67.93 0.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.456 ' CG2' ' HB2' ' A' ' 44' ' ' LEU . 1.0 OUTLIER -37.86 96.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.399 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.504 HG23 ' O ' ' A' ' 38' ' ' GLU . 33.2 p -78.67 -167.23 1.04 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 110.421 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.658 ' CG ' HG12 ' A' ' 59' ' ' VAL . 22.3 mt-10 -59.09 -54.57 45.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.345 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 43' ' ' SER . 6.2 tt0 -62.85 -64.82 0.8 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 42' ' ' GLU . 16.4 m -38.0 -48.17 1.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 109.953 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.869 HD11 HG21 ' A' ' 32' ' ' ILE . 4.7 tp -60.26 -53.08 61.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.679 ' HG2' HD12 ' A' ' 54' ' ' LEU . 80.5 mtm180 -57.59 -48.77 78.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.33 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -45.07 -28.42 0.71 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.148 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.691 ' CD2' ' CD1' ' A' ' 93' ' ' ILE . 65.1 t80 -94.38 -44.65 7.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.85 ' CZ ' HD12 ' A' ' 32' ' ' ILE . 36.4 m-85 -86.94 22.14 2.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 45' ' ' ARG . 2.9 mt-10 -99.44 -31.87 11.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 0.0 110.311 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.411 ' HG2' ' N ' ' A' ' 51' ' ' TRP . 1.6 pt20 -64.82 -30.99 72.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.249 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.678 ' CZ3' ' CE1' ' A' ' 91' ' ' HIS . 8.3 m0 -79.8 -42.81 23.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 107.997 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.08 160.87 29.95 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.55 1.156 . . . . 0.0 111.002 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.12 116.35 22.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 0.799 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.716 HD13 ' CG1' ' A' ' 74' ' ' VAL . 14.8 mt -76.89 102.34 6.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.407 ' N ' ' O ' ' A' ' 75' ' ' THR . 26.1 p -64.52 -13.15 51.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.389 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -153.45 111.15 3.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.578 ' SG ' HD23 ' A' ' 44' ' ' LEU . 46.0 t -126.31 120.43 29.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 108.308 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 12.2 t -128.76 143.66 40.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.658 HG12 ' CG ' ' A' ' 41' ' ' GLU . 13.9 p -124.44 112.69 33.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.264 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.578 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 34.9 mmt -66.88 150.54 49.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.98 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.43 ' HA ' ' N ' ' A' ' 69' ' ' ARG . 20.0 mtt180 -140.34 128.2 21.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 110.263 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.495 ' CB ' ' HB2' ' A' ' 65' ' ' SER . 29.4 m-20 -40.15 120.16 1.52 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.16 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -18.24 18.72 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.47 1.774 . . . . 0.0 110.972 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -94.66 -46.67 6.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.495 ' HB2' ' CB ' ' A' ' 62' ' ' ASP . 4.0 m -80.46 -48.5 12.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.996 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 62' ' ' ASP . 0.7 OUTLIER 76.46 31.99 0.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 0.0 109.243 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 68' ' ' SER . 9.3 mtp-105 -129.35 49.69 2.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.262 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 67' ' ' ARG . 18.6 m 60.72 145.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 110.005 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.454 ' NE ' ' OD1' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -92.66 -28.95 16.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.291 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 98.34 21.72 16.61 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.646 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -160.94 151.63 18.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 0.788 . . . . 0.0 110.976 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -154.74 -160.44 9.87 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.486 1.117 . . . . 0.0 110.978 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.414 ' HA ' ' O ' ' A' ' 30' ' ' LEU . 9.9 m-85 -131.47 148.23 52.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.774 . . . . 0.0 110.981 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.716 ' CG1' HD13 ' A' ' 54' ' ' LEU . 21.8 m -130.25 120.88 50.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.255 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 55' ' ' THR . 6.9 m -107.04 98.13 7.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.367 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.549 ' CD1' ' HB ' ' A' ' 82' ' ' VAL . 65.2 m-85 -65.44 167.88 8.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 111.059 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.5 t -83.14 -46.82 12.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.3 p -115.05 164.23 14.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.043 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.408 ' HA ' ' CG1' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -77.18 -25.06 51.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.09 . . . . 0.0 111.002 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.1 -65.58 0.66 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 109.261 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.706 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 81.3 mt-10 -40.79 -62.48 0.79 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.549 ' HB ' ' CD1' ' A' ' 76' ' ' PHE . 7.6 p -48.75 -51.18 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.444 ' N ' HG13 ' A' ' 82' ' ' VAL . 0.4 OUTLIER -51.82 -27.67 13.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.706 ' HB3' ' O ' ' A' ' 81' ' ' GLU . . . -68.87 -65.75 0.66 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.402 ' HB1' ' HE1' ' A' ' 91' ' ' HIS . . . -45.01 -42.85 8.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.457 ' HG2' HD21 ' A' ' 30' ' ' LEU . 1.2 mtp -52.15 -45.36 64.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 110.978 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -105.8 51.31 0.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -142.82 30.08 1.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.482 ' HA ' ' C ' ' A' ' 90' ' ' PRO . 2.3 mtm180 -84.54 159.18 59.02 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.469 1.106 . . . . 0.0 110.272 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.482 ' C ' ' HA ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -75.0 -178.6 23.95 Favored 'Cis proline' 0 C--N 1.361 1.184 0 C-N-CA 121.023 -2.49 . . . . 0.0 110.967 0.033 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.678 ' CE1' ' CZ3' ' A' ' 51' ' ' TRP . 8.0 m170 -118.47 118.83 32.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.601 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.601 ' O ' ' CE1' ' A' ' 47' ' ' TYR . 79.5 p -109.75 117.58 34.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.015 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.691 ' CD1' ' CD2' ' A' ' 47' ' ' TYR . 7.2 mt -137.24 134.22 47.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 57.03 25.74 11.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 74.43 23.44 75.52 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.57 1.169 . . . . 0.0 111.025 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.468 ' HG3' ' CB ' ' A' ' 36' ' ' SER . 0.0 OUTLIER -117.4 144.95 44.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 0.783 . . . . 0.0 110.333 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.407 ' O ' HG12 ' A' ' 97' ' ' VAL . 83.6 t -86.37 74.77 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.893 HG12 ' O ' ' A' ' 34' ' ' GLY . 1.7 m -72.68 168.55 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.406 ' HB3' ' NH1' ' A' ' 89' ' ' ARG . 2.7 pt-20 -151.06 113.81 3.11 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.429 ' HG3' ' ND1' ' A' ' 91' ' ' HIS . 18.3 Cg_endo -75.06 162.94 36.17 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.532 1.806 . . . . 0.0 110.964 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -139.9 155.7 47.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.566 1.166 . . . . 0.0 110.321 179.998 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.706 ' HG3' HG22 ' A' ' 75' ' ' THR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.31 113.42 24.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.64 HD21 ' SD ' ' A' ' 86' ' ' MET . 6.1 mp -103.97 140.48 37.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.756 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 17.2 t80 -98.38 112.26 24.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 111.031 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.604 HG21 HD11 ' A' ' 44' ' ' LEU . 9.5 mm -83.94 135.95 23.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.82 149.96 18.39 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.441 1.088 . . . . 0.0 111.022 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.573 ' O ' HG12 ' A' ' 98' ' ' VAL . . . 60.37 84.1 0.05 OUTLIER Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.046 -0.821 . . . . 0.0 111.046 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.602 HD21 HG22 ' A' ' 32' ' ' ILE . 7.3 mt -104.26 0.96 29.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 0.782 . . . . 0.0 109.261 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.554 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 0.5 OUTLIER 74.63 1.8 3.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.973 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.554 ' CG ' ' C ' ' A' ' 36' ' ' SER . 2.8 m-85 75.54 -2.3 2.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.1 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 39' ' ' THR . 52.9 mt-10 -108.14 -59.77 1.81 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 38' ' ' GLU . 1.8 m -36.44 100.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.389 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 69.8 p -78.06 -165.64 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.377 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -63.79 -51.0 66.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 110.323 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.449 ' C ' ' N ' ' A' ' 44' ' ' LEU . 49.2 tt0 -64.42 -64.46 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 42' ' ' GLU . 14.8 m -38.93 -30.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.032 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.604 HD11 HG21 ' A' ' 32' ' ' ILE . 11.0 tp -79.87 -62.43 1.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.477 ' HG2' HD12 ' A' ' 54' ' ' LEU . 4.3 mtp180 -50.23 -42.34 51.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.273 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -47.14 -30.31 2.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.351 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.738 ' CD2' HD11 ' A' ' 93' ' ' ILE . 83.3 t80 -94.05 -42.09 9.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 111.036 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.531 ' CZ ' HD12 ' A' ' 32' ' ' ILE . 37.4 m-85 -87.55 21.66 2.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.957 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 45' ' ' ARG . 2.1 mt-10 -99.0 -31.24 11.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.15 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.408 ' CD ' ' O ' ' A' ' 47' ' ' TYR . 1.1 pt20 -63.92 -34.99 79.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 110.344 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.65 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 5.6 m-90 -77.25 -45.77 25.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 107.986 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -171.81 160.88 32.83 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.141 . . . . 0.0 110.999 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.28 118.0 23.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.572 HD13 ' CG1' ' A' ' 74' ' ' VAL . 14.0 mt -74.8 99.32 3.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 75' ' ' THR . 69.9 p -45.52 -26.36 0.57 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.093 . . . . 0.0 110.433 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -160.87 132.23 5.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.34 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 6.4 t -128.46 131.76 48.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 108.322 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.9 t -133.99 139.86 47.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.549 HG23 HD12 ' A' ' 35' ' ' LEU . 10.3 p -122.99 112.55 34.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.57 ' HG3' ' CE1' ' A' ' 71' ' ' PHE . 32.3 mmt -65.8 153.45 41.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.407 ' HA ' ' N ' ' A' ' 69' ' ' ARG . 10.8 mtt180 -140.19 142.64 35.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 110.269 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -40.3 125.34 1.74 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 0.0 109.268 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -15.74 20.65 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.498 1.788 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -102.65 -43.4 5.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.7 -31.12 41.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 110.034 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.35 42.15 15.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.082 . . . . 0.0 109.256 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 45.6 mtt-85 -123.68 -79.25 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 110.275 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.2 p -159.44 144.01 15.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.998 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.407 ' N ' ' HA ' ' A' ' 61' ' ' ARG . 2.1 mtm180 -94.32 -40.39 9.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.31 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 109.14 19.52 8.45 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.458 1.098 . . . . 0.0 110.996 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.756 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 1.1 p90 -160.35 151.41 19.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 0.743 . . . . 0.0 111.012 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -155.67 -158.74 8.95 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.512 1.132 . . . . 0.0 111.042 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.408 ' HA ' ' O ' ' A' ' 30' ' ' LEU . 7.3 m-85 -131.77 151.72 51.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 0.749 . . . . 0.0 111.016 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.572 ' CG1' HD13 ' A' ' 54' ' ' LEU . 15.9 m -140.62 111.75 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.706 HG22 ' HG3' ' A' ' 28' ' ' ARG . 4.3 m -100.16 112.9 25.22 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.106 . . . . 0.0 110.387 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -78.86 167.2 21.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 110.977 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.39 -39.97 18.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.023 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.2 t -115.55 156.66 25.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.027 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.449 ' HA ' HG12 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -82.75 -11.43 58.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 111.011 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -80.22 -46.0 17.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.127 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.654 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 18.7 mt-10 -60.44 -52.49 65.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.273 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.639 HG23 HD22 ' A' ' 30' ' ' LEU . 7.4 p -53.57 -51.57 41.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.46 ' N ' HG13 ' A' ' 82' ' ' VAL . 0.2 OUTLIER -51.0 -32.21 20.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.654 ' HB3' ' O ' ' A' ' 81' ' ' GLU . . . -64.64 -64.99 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -41.85 -47.66 4.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.26 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.64 ' SD ' HD21 ' A' ' 30' ' ' LEU . 93.0 mmm -49.76 -54.4 19.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 111.023 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -92.97 50.59 1.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -144.13 37.48 1.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.489 ' CB ' ' HA ' ' A' ' 90' ' ' PRO . 2.0 mtm180 -90.22 160.7 39.41 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.283 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.489 ' HA ' ' CB ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -75.02 -177.13 19.64 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.985 -2.506 . . . . 0.0 111.018 0.053 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.65 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 3.8 m170 -121.56 110.16 15.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.593 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.704 ' O ' HD13 ' A' ' 93' ' ' ILE . 94.1 p -101.56 126.2 48.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.967 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.738 HD11 ' CD2' ' A' ' 47' ' ' TYR . 10.7 mm -131.91 120.67 45.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.58 15.17 5.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 93.95 14.28 52.51 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.51 ' O ' ' HA ' ' A' ' 92' ' ' SER . 0.6 OUTLIER -105.98 139.74 40.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 0.761 . . . . 0.0 110.313 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 89.3 t -84.63 76.72 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.337 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.644 HG22 ' O ' ' A' ' 91' ' ' HIS . 1.8 m -71.9 165.0 3.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 109.32 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -134.35 108.16 11.23 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.261 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.431 ' HG3' ' ND1' ' A' ' 91' ' ' HIS . 18.3 Cg_endo -75.02 157.57 42.61 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.55 1.816 . . . . 0.0 111.026 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -143.56 156.95 44.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.261 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.7 m -115.59 158.67 22.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 0.773 . . . . 0.0 109.985 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.29 161.87 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.957 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.93 144.17 3.85 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.547 1.155 . . . . 0.0 110.991 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.88 174.22 1.79 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 0.792 . . . . 0.0 109.969 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.0 p 176.68 161.28 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.011 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.43 177.98 48.53 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -173.26 97.52 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 0.779 . . . . 0.0 110.994 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -117.07 121.46 41.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.44 175.46 1.02 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.167 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.8 t -123.97 -43.03 2.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 110.393 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 66.02 171.64 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -158.83 147.24 18.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 16.4 m 56.19 103.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.45 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.0 m -106.7 137.24 19.42 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 141.29 26.52 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.465 1.771 . . . . 0.0 111.026 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.0 140.39 37.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -138.56 161.91 35.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.51 -28.8 3.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.586 1.179 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.464 ' O ' ' CB ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER 68.65 -88.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.464 ' CB ' ' O ' ' A' ' 20' ' ' LYS . 0.3 OUTLIER 85.54 157.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? 48.92 81.82 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -86.83 -41.92 13.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.346 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.72 -29.73 59.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.42 ' O ' ' CB ' ' A' ' 29' ' ' LYS . 19.5 tt0 -67.96 -64.93 0.76 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.306 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -58.02 -29.81 65.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.6 m-30 -61.4 -48.52 80.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.967 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.31 43.58 1.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.575 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 0.9 OUTLIER -133.17 113.24 12.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.466 HD13 ' CG2' ' A' ' 82' ' ' VAL . 9.2 mp -106.24 138.79 41.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.799 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 16.4 t80 -96.62 112.37 24.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.951 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.68 HG22 HD21 ' A' ' 35' ' ' LEU . 9.1 mm -84.41 128.06 39.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.85 134.32 11.0 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.523 1.14 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.96 74.16 1.11 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.68 HD21 HG22 ' A' ' 32' ' ' ILE . 6.1 mt -95.85 -4.76 43.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 0.793 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.531 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER 81.15 -7.77 1.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.993 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.608 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 0.5 OUTLIER 75.22 -2.17 2.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.4 ' CB ' ' OD2' ' A' ' 94' ' ' ASP . 0.5 OUTLIER -111.41 4.12 18.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 110.3 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.413 ' CG2' ' HB2' ' A' ' 44' ' ' LEU . 1.1 m -106.14 109.79 21.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 110.421 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 24.7 p -81.94 178.68 8.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.429 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.484 ' CG ' HG12 ' A' ' 59' ' ' VAL . 82.8 mt-10 -53.72 -52.75 59.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -62.41 -64.04 1.05 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 110.317 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.5 m -39.86 -37.35 0.55 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 110.01 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.503 HD21 ' CG1' ' A' ' 74' ' ' VAL . 1.3 tp -72.64 -57.9 3.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.839 ' HG2' HD12 ' A' ' 54' ' ' LEU . 12.2 mtp180 -49.09 -43.52 41.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 110.265 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -47.89 -24.72 1.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.655 ' CD2' HD11 ' A' ' 93' ' ' ILE . 33.0 t80 -92.82 -47.69 6.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.534 ' HB2' HD11 ' A' ' 54' ' ' LEU . 51.3 m-85 -89.1 24.42 2.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 45' ' ' ARG . 2.5 mt-10 -98.95 -18.47 17.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.305 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -72.92 -61.48 1.8 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 110.328 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.641 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 7.3 m-90 -49.99 -41.08 46.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 108.021 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.54 160.91 29.61 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.501 1.125 . . . . 0.0 110.958 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.56 124.62 30.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 0.74 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.839 HD12 ' HG2' ' A' ' 45' ' ' ARG . 20.4 mt -79.27 117.76 20.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 75' ' ' THR . 22.4 p -72.17 -18.07 61.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.374 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -160.32 123.01 3.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 26.2 p -128.09 119.04 24.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 108.288 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.0 t -120.78 139.03 49.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.484 HG12 ' CG ' ' A' ' 41' ' ' GLU . 13.7 p -124.37 113.58 37.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.575 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 34.1 mmt -67.75 141.75 56.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.2 mtm105 -119.78 143.75 47.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.471 ' CB ' ' HB2' ' A' ' 65' ' ' SER . 30.1 m-20 -42.21 125.96 2.77 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -10.27 21.2 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.483 1.781 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -110.91 -42.19 4.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.471 ' HB2' ' CB ' ' A' ' 62' ' ' ASP . 0.5 OUTLIER -81.49 -35.54 30.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.028 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 62' ' ' ASP . 2.2 mmtp 65.8 42.35 3.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.1 mmt85 -126.73 -77.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.319 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.5 m -155.81 133.07 10.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.024 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.23 -35.81 23.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 103.43 19.18 12.73 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.482 1.114 . . . . 0.0 111.031 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.799 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -160.12 148.22 16.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 0.744 . . . . 0.0 110.99 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -156.85 -157.57 8.43 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.494 1.121 . . . . 0.0 111.025 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -132.27 143.69 50.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.57 HG21 HD11 ' A' ' 32' ' ' ILE . 3.7 m -124.84 115.53 44.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 55' ' ' THR . 2.5 m -102.06 104.88 15.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 110.4 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.534 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 13.4 m-85 -70.48 171.04 10.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.2 t -84.71 -39.97 17.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.01 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.95 164.44 19.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 0.0 110.01 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.403 ' HA ' ' CG1' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -80.47 -14.33 58.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.97 -58.19 3.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.257 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.401 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 3.7 mp0 -48.22 -57.87 5.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.534 ' HB ' ' CD2' ' A' ' 76' ' ' PHE . 7.5 p -50.04 -45.74 23.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.352 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.41 -38.55 69.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 81' ' ' GLU . . . -67.28 -40.11 86.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.24 -34.61 76.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.419 ' HG2' HD21 ' A' ' 30' ' ' LEU . 0.7 OUTLIER -62.86 -41.7 99.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 111.006 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -98.76 49.75 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.577 ' O ' ' CD2' ' A' ' 91' ' ' HIS . . . -141.61 52.29 1.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.487 ' HA ' ' C ' ' A' ' 90' ' ' PRO . 12.6 mtm105 -109.63 158.38 34.92 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.334 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.487 ' C ' ' HA ' ' A' ' 89' ' ' ARG . 18.1 Cg_endo -75.04 -172.3 10.6 Favored 'Cis proline' 0 C--N 1.361 1.191 0 C-N-CA 120.968 -2.513 . . . . 0.0 110.965 0.018 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.641 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 4.2 m170 -125.87 124.45 40.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.582 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.0 p -118.17 117.22 28.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.067 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.655 HD11 ' CD2' ' A' ' 47' ' ' TYR . 15.0 mt -136.91 145.1 30.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.4 ' OD2' ' CB ' ' A' ' 38' ' ' GLU . 5.2 t0 63.26 13.42 6.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.15 17.5 69.32 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.496 1.123 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.44 ' HD2' HG12 ' A' ' 98' ' ' VAL . 0.0 OUTLIER -125.25 161.36 27.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 0.759 . . . . 0.0 110.249 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 60.1 t -91.41 111.81 24.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.499 HG23 ' N ' ' A' ' 99' ' ' GLU . 1.1 m -99.22 -172.82 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.499 ' N ' HG23 ' A' ' 98' ' ' VAL . 0.1 OUTLIER -158.43 109.31 1.67 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.263 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 161.52 38.55 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.487 1.783 . . . . 0.0 111.032 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.87 155.77 45.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.746 ' HB3' HG22 ' A' ' 104' ' ' VAL . 0.1 OUTLIER -62.82 -30.08 71.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 110.286 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.706 ' HB3' ' O ' ' A' ' 102' ' ' ARG . . . 84.83 -49.7 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.746 HG22 ' HB3' ' A' ' 102' ' ' ARG . 26.9 m -42.91 144.71 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 42.19 90.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.66 149.93 43.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.3 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.94 122.34 4.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -137.33 91.49 2.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.287 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.87 145.41 7.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.01 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -150.71 -161.28 9.87 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 30.9 p -173.91 151.01 1.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 0.794 . . . . 0.0 109.938 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 72.09 115.12 0.05 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 132.8 15.76 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.472 1.775 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.93 109.12 15.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.97 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.45 143.36 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.027 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.446 1.091 . . . . 0.0 110.993 179.977 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 m -160.28 170.7 20.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 0.774 . . . . 0.0 110.018 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.8 p -166.14 170.56 13.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.979 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.36 144.43 4.0 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.6 t -171.33 155.67 4.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 0.774 . . . . 0.0 110.018 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.06 157.63 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.988 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.15 120.53 2.35 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.496 1.122 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -174.66 89.47 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 0.765 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -140.77 170.25 16.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.75 178.27 4.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.3 t -147.68 152.24 37.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 110.341 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.01 176.28 5.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -109.64 145.75 35.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.251 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.4 t -173.68 158.51 3.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 110.387 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.2 m -83.18 148.34 56.01 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 69.62 5.49 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.467 1.772 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -174.95 109.0 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -178.5 124.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.272 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.61 158.66 25.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -139.91 -66.98 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.7 ptpp? -91.47 -38.78 12.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 174.19 140.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.27 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.8 -8.54 58.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.408 ' HD3' ' NH1' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -90.34 -20.0 23.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.366 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -80.77 -60.99 2.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -49.01 -34.16 12.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.291 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -59.11 -46.72 87.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.505 ' HG3' ' HE1' ' A' ' 79' ' ' MET . 1.2 mpp_? -107.34 44.1 1.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.335 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.989 ' C ' HD13 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -140.88 119.23 12.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 1.001 HD21 HG23 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -116.44 148.4 40.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.796 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 14.1 t80 -96.75 105.27 17.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.967 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.66 HG22 HD21 ' A' ' 35' ' ' LEU . 7.9 mm -79.35 131.48 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.11 136.87 9.82 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.466 1.104 . . . . 0.0 111.034 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.448 ' C ' HD23 ' A' ' 35' ' ' LEU . . . 83.88 68.29 1.42 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.66 HD21 HG22 ' A' ' 32' ' ' ILE . 4.6 mt -95.58 -1.77 49.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 0.769 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.559 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER 79.97 -1.35 2.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.985 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.559 ' CG ' ' C ' ' A' ' 36' ' ' SER . 2.4 m-85 75.7 -2.35 2.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 40' ' ' THR . 0.1 OUTLIER -105.1 -62.32 1.36 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.517 HG22 ' O ' ' A' ' 39' ' ' THR . 0.9 OUTLIER -39.05 97.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.362 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.438 ' N ' ' O ' ' A' ' 38' ' ' GLU . 73.1 p -73.95 -173.62 1.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.363 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -53.38 -54.63 33.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.322 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 45' ' ' ARG . 5.7 tt0 -61.68 -63.49 1.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.265 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.9 m -43.06 -31.55 0.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.012 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.575 HD13 HD13 ' A' ' 35' ' ' LEU . 0.9 OUTLIER -79.64 -43.92 21.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.338 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.829 ' HG2' HD12 ' A' ' 54' ' ' LEU . 26.8 mtm180 -63.13 -48.17 79.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -47.89 -24.54 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.421 1.076 . . . . 0.0 109.321 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.536 ' CE1' ' O ' ' A' ' 92' ' ' SER . 26.8 t80 -88.26 -52.79 5.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.961 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.609 ' HB2' HD11 ' A' ' 54' ' ' LEU . 50.5 m-85 -89.1 28.19 1.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 45' ' ' ARG . 2.0 mt-10 -99.31 -19.64 16.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.098 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -72.0 -61.22 1.86 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.278 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.638 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 6.2 m-90 -50.15 -43.4 52.08 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -174.6 157.87 25.61 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 0.0 111.034 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.84 121.96 25.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 0.787 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.829 HD12 ' HG2' ' A' ' 45' ' ' ARG . 37.4 mt -73.71 109.49 7.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 75' ' ' THR . 16.5 p -71.86 -15.27 62.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.387 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -158.97 111.15 2.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.412 ' O ' ' SG ' ' A' ' 57' ' ' CYS . 14.1 p -128.27 125.6 39.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 108.315 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.4 t -130.82 141.57 45.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.471 HG13 ' O ' ' A' ' 59' ' ' VAL . 13.6 p -119.81 114.17 43.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.584 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 33.8 mmt -69.18 146.65 52.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 64.6 mtt180 -128.34 134.94 48.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.286 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.462 ' CB ' ' HB2' ' A' ' 65' ' ' SER . 10.4 m-20 -40.75 130.86 1.85 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -8.3 19.91 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.508 1.793 . . . . 0.0 111.032 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -113.13 -40.35 3.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.462 ' HB2' ' CB ' ' A' ' 62' ' ' ASP . 0.6 OUTLIER -85.67 -37.07 19.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.945 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER 59.06 26.95 15.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 68' ' ' SER . 20.5 mtt180 -128.17 61.5 1.45 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 110.305 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 67' ' ' ARG . 15.5 m 61.44 129.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 110.001 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.03 -36.31 19.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 34' ' ' GLY . . . 113.68 17.36 7.53 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.426 1.079 . . . . 0.0 110.975 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.796 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -159.38 148.41 18.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 0.775 . . . . 0.0 110.988 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -155.75 -163.34 12.1 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -125.24 146.11 49.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 0.745 . . . . 0.0 111.03 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.464 ' CG1' HD21 ' A' ' 44' ' ' LEU . 18.9 m -131.6 120.59 45.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 55' ' ' THR . 1.7 m -112.78 111.57 22.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.386 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -78.55 172.92 12.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.22 -46.36 11.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.98 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.5 m -111.54 155.75 22.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.984 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.505 ' HE1' ' HG3' ' A' ' 28' ' ' ARG . 34.0 tpp -79.25 -11.69 59.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.983 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.89 -51.96 11.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.558 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 7.9 mm-40 -56.25 -56.26 23.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 110.286 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 1.001 HG23 HD21 ' A' ' 30' ' ' LEU . 7.4 p -48.33 -48.28 13.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.405 ' N ' HG13 ' A' ' 82' ' ' VAL . 0.2 OUTLIER -56.73 -27.41 59.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.284 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' A' ' 81' ' ' GLU . . . -76.76 -58.54 3.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -51.62 -42.28 61.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -54.05 -48.36 70.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -101.18 48.65 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.503 ' O ' ' CD2' ' A' ' 91' ' ' HIS . . . -130.71 41.11 3.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.506 ' CB ' ' HA ' ' A' ' 90' ' ' PRO . 4.9 mtm180 -91.3 161.14 35.59 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.246 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.506 ' HA ' ' CB ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -74.99 178.85 32.87 Favored 'Cis proline' 0 C--N 1.36 1.14 0 C-N-CA 121.021 -2.491 . . . . 0.0 111.003 -0.027 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.638 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 8.4 m170 -128.2 120.22 26.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.551 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.536 ' O ' ' CE1' ' A' ' 47' ' ' TYR . 14.5 p -115.34 119.21 35.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.038 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.528 HG12 ' CE1' ' A' ' 47' ' ' TYR . 16.3 mt -134.99 147.74 29.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.571 1.169 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.441 ' OD2' ' N ' ' A' ' 39' ' ' THR . 0.4 OUTLIER 62.65 14.27 7.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 88.18 -4.85 85.37 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.451 ' NH2' ' OE2' ' A' ' 99' ' ' GLU . 7.2 ptm180 -105.3 168.36 9.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 0.792 . . . . 0.0 110.275 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 61.0 t -97.54 104.41 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.44 HG23 ' N ' ' A' ' 99' ' ' GLU . 1.2 m -85.45 -175.1 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.137 . . . . 0.0 109.339 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.451 ' OE2' ' NH2' ' A' ' 96' ' ' ARG . 2.0 pm0 -158.77 109.97 1.61 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.169 . . . . 0.0 110.277 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.51 ' O ' ' CD ' ' A' ' 101' ' ' LYS . 18.2 Cg_endo -75.07 158.92 41.68 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.486 1.782 . . . . 0.0 110.971 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.51 ' CD ' ' O ' ' A' ' 100' ' ' PRO . 0.1 OUTLIER -143.49 168.89 18.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.61 ' HB3' HG22 ' A' ' 104' ' ' VAL . 3.9 mtp180 -92.39 127.13 37.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 29' ' ' LYS . . . -94.03 55.3 2.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.61 HG22 ' HB3' ' A' ' 102' ' ' ARG . 29.9 m -129.38 153.57 38.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.542 ' HB3' ' O ' ' A' ' 104' ' ' VAL . . . 73.47 -74.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 105' ' ' ALA . 1.0 OUTLIER -38.87 150.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.297 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 65.72 79.61 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.28 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -92.32 -59.25 2.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.327 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.57 105.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 110.011 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -98.52 -84.21 1.76 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.477 1.111 . . . . 0.0 110.986 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 42.47 89.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 0.78 . . . . 0.0 110.005 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -131.01 108.61 0.83 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.507 1.129 . . . . 0.0 110.989 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 86.7 1.39 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.459 1.768 . . . . 0.0 111.008 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.41 148.82 0.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.985 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.4 96.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 110.028 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.533 1.146 . . . . 0.0 110.98 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.7 p 58.56 112.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.742 . . . . 0.0 110.045 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 m -156.5 158.13 36.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.997 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.99 156.91 15.34 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.494 1.121 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m -163.48 147.63 10.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 0.759 . . . . 0.0 110.02 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -120.88 135.63 55.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.035 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.9 99.76 0.26 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.529 1.143 . . . . 0.0 110.978 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -107.43 104.99 14.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 0.761 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -175.81 128.0 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 110.314 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.5 -50.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.6 m -97.33 152.87 18.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.384 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -172.14 79.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.92 119.76 9.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.171 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.34 145.29 51.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.365 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.5 m -145.58 152.98 50.6 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.234 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 177.06 9.11 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.488 1.783 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.4 mp -101.78 -64.48 1.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -178.56 -69.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.81 122.56 1.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.274 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -111.68 150.15 30.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.087 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.51 139.78 48.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 45.95 73.27 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -92.22 -20.11 21.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.1 -4.57 59.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 29' ' ' LYS . 1.0 OUTLIER -95.17 -65.02 1.0 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.657 ' HB2' HG21 ' A' ' 104' ' ' VAL . 0.0 OUTLIER -53.44 -19.88 4.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.25 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -77.48 -42.24 36.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -113.46 25.48 11.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.26 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -111.35 118.11 34.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.641 HD13 ' CG2' ' A' ' 82' ' ' VAL . 8.4 mp -107.61 124.02 49.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.785 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 9.6 t80 -86.87 109.65 19.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.538 HG22 HD21 ' A' ' 35' ' ' LEU . 6.3 mm -84.47 133.82 28.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.66 134.89 10.19 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.512 1.132 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.459 ' C ' HD23 ' A' ' 35' ' ' LEU . . . 79.48 76.01 0.99 Allowed Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.538 HD21 HG22 ' A' ' 32' ' ' ILE . 3.7 mt -98.45 2.34 47.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 0.769 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.551 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 78.03 0.34 2.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.032 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.551 ' CG ' ' C ' ' A' ' 36' ' ' SER . 1.9 m-85 75.67 -2.33 2.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 39' ' ' THR . 0.1 OUTLIER -106.12 -64.93 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 110.33 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.45 HG22 ' O ' ' A' ' 39' ' ' THR . 0.9 OUTLIER -37.66 99.5 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 0.0 110.428 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.4 ' N ' ' O ' ' A' ' 38' ' ' GLU . 60.3 p -77.34 -164.79 0.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.435 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -61.18 -54.24 46.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.083 . . . . 0.0 110.306 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 45' ' ' ARG . 3.2 mt-10 -59.68 -66.58 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.271 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.8 m -40.14 -33.31 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.994 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.816 HD21 ' CG1' ' A' ' 74' ' ' VAL . 9.2 tp -70.94 -51.14 27.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.5 OUTLIER -58.39 -52.54 65.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.311 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -43.16 -27.7 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.628 ' CD2' HD11 ' A' ' 93' ' ' ILE . 40.1 t80 -92.59 -46.46 7.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 111.047 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.504 ' OH ' HD12 ' A' ' 32' ' ' ILE . 21.4 m-85 -88.59 23.83 2.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.585 1.178 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 45' ' ' ARG . 2.1 mt-10 -99.48 -27.99 13.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.407 ' CD ' ' O ' ' A' ' 47' ' ' TYR . 1.9 pt20 -70.94 -14.24 62.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 110.302 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.643 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 8.9 m0 -98.17 -35.54 10.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 108.019 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 175.06 162.5 26.57 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.44 1.088 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.78 124.55 29.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.776 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.475 HD11 ' CB ' ' A' ' 48' ' ' TYR . 24.1 mt -82.64 109.93 17.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 17.8 p -74.84 -9.34 58.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 0.0 110.426 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -160.51 112.78 1.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.087 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 24.6 p -126.59 119.04 26.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 108.291 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.4 t -128.45 139.64 51.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.457 HG13 ' O ' ' A' ' 59' ' ' VAL . 14.7 p -124.38 114.66 41.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.577 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 34.9 mmt -67.27 147.39 53.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 0.0 111.008 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 41.1 mtt180 -126.41 142.68 51.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 110.29 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 66' ' ' LYS . 2.8 t70 -49.6 128.77 19.11 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -13.69 21.39 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.44 1.758 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -105.13 -40.37 5.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.81 -34.65 26.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.019 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER 61.11 40.15 15.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -125.3 -74.81 0.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.323 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.6 t -164.45 132.79 3.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 110.042 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.49 -43.89 22.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 34' ' ' GLY . . . 113.93 19.3 6.47 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.545 1.153 . . . . 0.0 110.976 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.785 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 0.4 OUTLIER -158.03 147.99 20.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 0.803 . . . . 0.0 111.044 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -155.56 -158.75 8.94 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 4.1 m-85 -131.6 145.11 51.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 0.78 . . . . 0.0 110.966 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.816 ' CG1' HD21 ' A' ' 44' ' ' LEU . 17.0 m -131.33 111.79 20.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.6 m -100.75 111.67 23.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.374 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.492 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 36.8 m-85 -77.41 170.06 17.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.977 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 t -81.16 -46.48 14.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.993 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.64 157.36 24.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.006 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.83 -16.82 61.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 111.049 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.72 -58.71 3.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.618 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 1.0 OUTLIER -46.83 -59.61 2.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.333 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.641 ' CG2' HD13 ' A' ' 30' ' ' LEU . 6.6 p -47.61 -48.87 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.405 ' N ' HG13 ' A' ' 82' ' ' VAL . 1.3 t70 -53.23 -34.68 58.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.618 ' HB3' ' O ' ' A' ' 81' ' ' GLU . . . -62.4 -61.56 2.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -44.07 -42.17 6.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.137 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.419 ' HG2' HD21 ' A' ' 30' ' ' LEU . 1.2 mtp -57.3 -40.81 78.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . -102.55 46.61 0.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.422 ' O ' ' CD2' ' A' ' 91' ' ' HIS . . . -142.86 41.13 1.54 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.102 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.503 ' CB ' ' HA ' ' A' ' 90' ' ' PRO . 14.6 mtm180 -96.0 160.92 28.94 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.503 ' HA ' ' CB ' ' A' ' 89' ' ' ARG . 18.2 Cg_endo -75.08 -173.15 11.83 Favored 'Cis proline' 0 C--N 1.359 1.13 0 C-N-CA 121.008 -2.497 . . . . 0.0 110.942 0.038 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.643 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 17.0 m170 -123.89 123.52 40.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.591 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.6 ' O ' ' CE1' ' A' ' 47' ' ' TYR . 6.2 p -119.54 116.97 27.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.049 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.628 HD11 ' CD2' ' A' ' 47' ' ' TYR . 15.5 mt -137.09 145.94 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 64.48 12.51 7.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.73 19.8 65.01 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.563 1.165 . . . . 0.0 111.002 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.479 ' CZ ' ' HB2' ' A' ' 96' ' ' ARG . 0.0 OUTLIER -130.31 157.26 43.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 0.742 . . . . 0.0 110.299 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 40.5 t -85.51 113.25 23.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.428 HG23 ' N ' ' A' ' 99' ' ' GLU . 1.5 m -97.45 -172.77 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.428 ' N ' HG23 ' A' ' 98' ' ' VAL . 0.0 OUTLIER -156.0 108.98 2.11 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 110.311 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 159.41 41.38 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.463 1.77 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -138.48 137.78 37.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.682 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 3.3 ttt180 -56.84 -17.24 8.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.132 . . . . 0.0 110.336 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.682 ' HB3' ' O ' ' A' ' 102' ' ' ARG . . . 82.88 -52.37 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 0.0 109.266 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.657 HG21 ' HB2' ' A' ' 26' ' ' GLN . 23.1 t -116.94 156.01 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.632 ' HB3' ' O ' ' A' ' 104' ' ' VAL . . . 79.64 116.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 4.7 ttt-85 64.81 59.73 0.89 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.461 1.101 . . . . 0.0 110.274 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.92 175.82 13.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 110.34 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -157.24 124.33 5.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.165 . . . . 0.0 110.274 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 24.0 p 179.16 141.72 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.01 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 90.81 166.65 41.02 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.458 1.099 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 72.9 p -172.36 135.53 0.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 0.772 . . . . 0.0 110.023 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -123.65 -123.55 2.81 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.463 1.102 . . . . 0.0 111.028 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 152.94 41.18 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.525 1.803 . . . . 0.0 110.95 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.6 t -110.74 -58.85 2.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 1.163 . . . . 0.0 110.018 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 60.8 m -93.36 80.14 4.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.928 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 O-C-N 124.468 1.105 . . . . 0.0 111.027 179.962 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.21 151.29 3.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 110.005 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.6 t 65.5 152.39 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.971 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.24 161.28 34.3 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.85 166.19 5.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 0.766 . . . . 0.0 110.03 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.39 -59.8 1.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.015 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.76 114.22 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.548 1.155 . . . . 0.0 111.021 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.6 mtm -97.66 169.65 9.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.767 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -131.95 92.97 3.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.294 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -173.79 81.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 35.2 p -127.52 59.94 1.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.433 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 mp 57.03 172.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -108.83 174.7 5.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.9 ' O ' HG22 ' A' ' 15' ' ' VAL . 9.4 t -100.06 52.79 0.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.404 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.9 HG22 ' O ' ' A' ' 14' ' ' THR . 3.1 m 55.79 159.85 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -47.17 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.47 1.774 . . . . 0.0 111.001 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.402 HD11 ' HA ' ' A' ' 21' ' ' LYS . 0.9 OUTLIER -165.52 149.22 8.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.573 1.171 . . . . 0.0 109.31 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 179.14 140.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.325 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 64.05 85.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 110.313 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.98 167.91 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.402 ' HA ' HD11 ' A' ' 17' ' ' LEU . 1.0 OUTLIER -94.27 140.38 29.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.344 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.35 -41.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.489 ' O ' ' CD1' ' A' ' 27' ' ' PHE . 10.0 mt-10 -69.87 -47.16 63.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -21.31 62.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -76.78 -58.09 3.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.267 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -70.75 -8.69 54.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 110.275 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.489 ' CD1' ' O ' ' A' ' 23' ' ' GLU . 2.2 m-30 -81.27 -44.49 17.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 71.6 mtt180 -95.87 -10.09 29.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.347 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.768 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 0.8 OUTLIER -86.47 113.78 22.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.581 HD13 ' CG2' ' A' ' 82' ' ' VAL . 6.8 mp -106.41 134.24 49.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.798 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 25.0 t80 -96.42 108.86 21.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.595 HG22 HD21 ' A' ' 35' ' ' LEU . 9.3 mm -82.42 123.7 38.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.32 135.12 12.59 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.506 1.129 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.794 ' O ' HG12 ' A' ' 98' ' ' VAL . . . 81.74 80.94 0.89 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.595 HD21 HG22 ' A' ' 32' ' ' ILE . 3.0 mt -106.98 3.25 25.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.75 . . . . 0.0 109.337 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.577 ' O ' ' CD2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 74.69 1.31 3.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.995 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.577 ' CD2' ' O ' ' A' ' 36' ' ' SER . 4.2 m-85 75.2 -2.21 2.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 40' ' ' THR . 1.5 mt-10 -106.03 -64.51 1.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.289 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.561 HG22 HD13 ' A' ' 35' ' ' LEU . 0.9 OUTLIER -37.8 97.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.367 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.434 ' N ' ' O ' ' A' ' 38' ' ' GLU . 18.3 p -72.7 -166.98 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.374 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.519 ' CG ' HG12 ' A' ' 59' ' ' VAL . 65.5 mt-10 -60.69 -54.25 47.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.428 ' C ' ' N ' ' A' ' 44' ' ' LEU . 4.7 tt0 -61.71 -62.41 1.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.0 m -40.52 -29.48 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.964 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.661 HD21 ' CG1' ' A' ' 74' ' ' VAL . 14.6 tp -77.58 -61.64 1.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -46.34 -48.73 18.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.334 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.3 t30 -47.54 -25.5 1.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.567 ' CE2' HG12 ' A' ' 93' ' ' ILE . 23.4 t80 -93.98 -45.4 7.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.492 ' CE2' HD11 ' A' ' 44' ' ' LEU . 27.1 m-85 -88.77 22.73 2.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 45' ' ' ARG . 2.9 mt-10 -99.01 -14.18 19.57 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 110.26 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.408 ' CD ' ' O ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -83.51 -8.28 59.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.335 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.491 ' CH2' ' CD2' ' A' ' 91' ' ' HIS . 6.5 m0 -103.44 -37.8 7.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 107.995 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 179.3 160.13 24.55 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.81 114.61 18.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 0.777 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 20.3 mt -72.01 125.49 27.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.435 ' H ' ' HG1' ' A' ' 55' ' ' THR . 69.7 p -82.38 -14.37 55.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.377 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -160.96 120.7 2.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.538 ' SG ' HD23 ' A' ' 44' ' ' LEU . 8.0 t -127.93 119.36 25.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 108.332 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.3 t -127.14 140.91 47.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.519 HG12 ' CG ' ' A' ' 41' ' ' GLU . 11.4 p -124.1 112.86 34.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.571 ' HG3' ' CE1' ' A' ' 71' ' ' PHE . 33.0 mmt -68.67 148.31 50.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.42 ' HA ' ' N ' ' A' ' 69' ' ' ARG . 10.1 mtt180 -140.03 127.24 21.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 110.29 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 66' ' ' LYS . 57.3 m-20 -40.88 122.4 1.9 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -21.08 16.27 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.515 1.798 . . . . 0.0 111.023 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -93.36 -43.54 8.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.52 -48.03 13.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.992 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER 73.59 28.79 1.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 55.9 mtt180 -128.06 48.71 2.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.2 m 60.58 146.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 110.003 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.57 ' HD3' ' CE2' ' A' ' 71' ' ' PHE . 3.1 mtt180 -92.2 -37.28 12.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.266 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' GLY . . . 107.59 20.85 8.24 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.523 1.139 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.798 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 1.3 p90 -160.25 151.61 19.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 0.735 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -156.27 -161.01 10.39 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.52 1.137 . . . . 0.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -131.36 147.15 52.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 0.773 . . . . 0.0 111.029 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.661 ' CG1' HD21 ' A' ' 44' ' ' LEU . 30.8 m -135.13 110.96 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 109.237 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 21.0 m -97.91 104.34 16.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.358 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.508 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 30.0 m-85 -69.28 169.94 11.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.73 -46.42 12.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 109.983 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.65 170.61 8.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.029 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.441 ' HA ' ' CG1' ' A' ' 82' ' ' VAL . 6.1 tpt -81.29 -28.36 34.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.34 -64.66 0.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.347 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.568 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 2.3 mp0 -41.11 -60.12 1.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.581 ' CG2' HD13 ' A' ' 30' ' ' LEU . 7.4 p -53.3 -45.65 56.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.24 -27.91 56.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.351 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.568 ' HB3' ' O ' ' A' ' 81' ' ' GLU . . . -72.88 -48.83 34.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -55.25 -39.85 70.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.435 ' CE ' ' HG3' ' A' ' 102' ' ' ARG . 1.2 mtp -56.86 -41.14 77.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -112.22 40.11 2.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.455 ' HB2' ' O ' ' A' ' 84' ' ' ALA . . . -110.99 -19.12 12.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.479 ' HA ' ' C ' ' A' ' 90' ' ' PRO . 3.5 mtm180 -46.18 159.15 0.34 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.323 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.479 ' C ' ' HA ' ' A' ' 89' ' ' ARG . 18.5 Cg_endo -75.01 -176.99 19.23 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 120.983 -2.507 . . . . 0.0 111.007 -0.008 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.491 ' CD2' ' CH2' ' A' ' 51' ' ' TRP . 32.8 m170 -140.71 128.77 22.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.604 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.3 p -119.19 111.08 17.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.057 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.567 HG12 ' CE2' ' A' ' 47' ' ' TYR . 19.3 mt -127.4 137.09 58.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.4 t70 68.35 9.75 7.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.084 . . . . 0.0 109.305 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 94.3 -8.07 72.24 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.504 1.127 . . . . 0.0 111.028 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.475 ' HD2' ' CB ' ' A' ' 36' ' ' SER . 0.3 OUTLIER -105.7 160.71 15.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 0.745 . . . . 0.0 110.282 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 43.1 t -89.77 116.73 31.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.794 HG12 ' O ' ' A' ' 34' ' ' GLY . 8.4 m -93.46 -179.3 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.36 108.94 2.05 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 156.89 42.97 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.472 1.775 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.9 mmtm -134.23 150.5 51.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.615 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 10.0 mtt180 -58.83 -29.12 66.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.768 ' HB3' ' O ' ' A' ' 29' ' ' LYS . . . 78.21 38.5 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.65 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 31.3 m -107.46 -44.75 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.65 ' HB2' ' O ' ' A' ' 104' ' ' VAL . . . 166.91 -82.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.73 -178.89 6.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -100.51 100.13 10.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.088 . . . . 0.0 110.255 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -171.44 -64.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.293 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.4 m 63.42 92.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.982 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -75.72 170.41 54.61 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.437 1.085 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 66.9 m -97.22 129.47 44.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 0.766 . . . . 0.0 109.991 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -46.88 127.99 11.17 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -44.16 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.5 1.789 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 40.3 t -52.26 110.36 0.48 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 1.132 . . . . 0.0 109.999 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.2 m -115.03 83.63 1.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.037 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 -179.954 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.0 p -169.88 110.27 0.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 0.746 . . . . 0.0 109.959 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -177.94 127.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.564 1.165 . . . . 0.0 109.992 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.6 139.94 4.29 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.548 1.155 . . . . 0.0 110.986 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.47 117.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 110.031 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.18 147.7 30.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.963 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.39 -167.53 12.51 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.451 1.094 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.4 mtt -143.13 153.97 43.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 0.779 . . . . 0.0 110.998 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -157.5 91.06 1.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -155.87 126.29 6.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.107 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.6 m 62.77 123.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 110.393 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.52 HD22 ' HG3' ' A' ' 108' ' ' GLU . 0.2 OUTLIER -91.76 117.99 30.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.67 106.76 13.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.279 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.0 t -168.85 149.62 4.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.369 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.0 m -55.96 153.58 16.97 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 171.92 17.38 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.564 1.823 . . . . 0.0 110.95 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -171.33 144.79 2.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -158.04 143.47 16.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.334 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 49.81 94.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.25 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.1 -68.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.328 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.71 153.37 0.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.84 155.68 18.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.447 ' O ' ' CD1' ' A' ' 27' ' ' PHE . 0.8 OUTLIER -60.68 -54.51 44.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.43 -17.97 63.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.476 ' O ' ' CB ' ' A' ' 29' ' ' LYS . 7.6 tt0 -78.96 -57.57 3.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 110.324 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -66.27 -9.68 34.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.447 ' CD1' ' O ' ' A' ' 23' ' ' GLU . 2.1 m-30 -77.51 -45.27 26.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.7 mtm-85 -111.89 22.65 14.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.26 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.559 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -113.84 118.92 35.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.479 HD13 HG21 ' A' ' 82' ' ' VAL . 9.0 mp -111.43 160.2 17.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.1 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.794 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 19.2 t80 -122.41 109.97 15.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.532 HG21 HD11 ' A' ' 44' ' ' LEU . 5.4 mm -82.5 132.91 30.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.43 114.73 2.21 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.446 1.091 . . . . 0.0 110.991 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.704 ' C ' HD23 ' A' ' 35' ' ' LEU . . . 111.7 70.02 0.58 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.704 HD23 ' C ' ' A' ' 34' ' ' GLY . 4.0 mt -106.68 8.92 31.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.599 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 1.1 t 66.83 -73.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.988 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 36' ' ' SER . 0.3 OUTLIER 161.98 -25.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 110.996 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -99.22 30.1 3.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.573 1.171 . . . . 0.0 110.277 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.1 m -113.88 112.3 23.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.377 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 38.2 p -92.99 165.37 12.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.396 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -47.99 -53.86 14.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.251 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -54.31 -62.17 1.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 m -39.39 -57.01 1.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.998 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.532 HD11 HG21 ' A' ' 32' ' ' ILE . 0.9 OUTLIER -56.57 -48.45 77.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.25 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 49' ' ' GLU . 43.5 mtp180 -55.52 -57.28 12.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -42.11 -29.01 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.679 ' CE2' HD11 ' A' ' 93' ' ' ILE . 11.6 t80 -87.6 -52.81 5.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 111.018 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.44 ' CB ' HD11 ' A' ' 54' ' ' LEU . 32.1 m-85 -89.62 31.66 0.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 111.054 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 45' ' ' ARG . 1.0 OUTLIER -98.23 -30.49 12.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.32 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.414 ' CG ' ' N ' ' A' ' 51' ' ' TRP . 21.6 pt20 -67.54 -53.46 28.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.611 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 6.4 m0 -54.96 -21.34 11.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 107.967 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 164.16 163.31 16.84 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.514 1.133 . . . . 0.0 110.976 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.83 111.06 20.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 0.776 . . . . 0.0 109.259 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.517 HD13 ' CG1' ' A' ' 74' ' ' VAL . 21.0 mt -67.58 99.59 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 75' ' ' THR . 72.2 p -52.93 -23.46 7.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.425 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -161.17 129.26 4.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 48.8 t -127.5 118.86 24.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 108.323 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.1 t -118.1 134.78 60.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.593 HG23 HD12 ' A' ' 35' ' ' LEU . 11.8 p -124.09 114.11 39.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.579 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 34.6 mmt -67.31 143.72 56.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.408 ' HA ' ' N ' ' A' ' 69' ' ' ARG . 31.1 mtm180 -133.77 149.18 51.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.451 ' CB ' ' HB2' ' A' ' 65' ' ' SER . 66.1 m-20 -41.54 133.75 2.14 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 -10.77 21.3 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.485 1.782 . . . . 0.0 110.974 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -112.64 -41.64 3.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.451 ' HB2' ' CB ' ' A' ' 62' ' ' ASP . 0.3 OUTLIER -81.0 -36.67 30.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.007 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 61.9 32.22 17.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 16.6 mtt85 -105.35 -67.4 0.92 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.596 ' O ' ' CE1' ' A' ' 37' ' ' PHE . 46.2 t -169.47 148.42 3.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.528 1.143 . . . . 0.0 110.027 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.408 ' N ' ' HA ' ' A' ' 61' ' ' ARG . 0.2 OUTLIER -98.46 -39.79 8.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.262 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 113.59 11.83 12.5 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.494 1.121 . . . . 0.0 110.986 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.794 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 1.8 p90 -157.8 152.95 25.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -161.03 -157.79 8.95 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.46 1.1 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.477 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 1.3 m-85 -135.1 151.97 51.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 0.761 . . . . 0.0 111.017 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.517 ' CG1' HD13 ' A' ' 54' ' ' LEU . 15.7 m -135.07 112.25 14.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 55' ' ' THR . 2.6 m -96.54 103.62 15.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.377 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.469 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 15.9 m-85 -68.6 -175.57 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.3 t -94.18 -52.69 4.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.988 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 69.5 m -118.88 168.91 10.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.958 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.48 ' O ' ' CG1' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -69.43 -42.53 74.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.52 1.137 . . . . 0.0 110.961 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.05 -61.35 2.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -43.19 -64.41 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.249 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.48 ' CG1' ' O ' ' A' ' 79' ' ' MET . 7.5 p -53.6 -33.88 23.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 79' ' ' MET . 0.3 OUTLIER -61.38 -36.16 79.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.25 -53.48 29.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -50.45 -35.99 31.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.77 -29.19 69.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.968 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -123.93 39.31 4.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.475 ' CB ' ' HE2' ' A' ' 91' ' ' HIS . . . -109.76 -21.55 12.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.508 ' CB ' ' HA ' ' A' ' 90' ' ' PRO . 3.3 mtm105 -46.6 160.97 0.3 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.508 ' HA ' ' CB ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -74.97 177.1 40.53 Favored 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 121.006 -2.498 . . . . 0.0 111.008 -0.049 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.611 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 39.7 m170 -138.98 133.1 31.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.639 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.914 ' O ' HD13 ' A' ' 93' ' ' ILE . 4.3 p -119.06 121.14 39.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.03 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.914 HD13 ' O ' ' A' ' 92' ' ' SER . 9.7 mm -129.41 138.33 54.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.4 t0 64.88 12.14 7.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 86.25 18.6 58.83 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.483 1.114 . . . . 0.0 110.963 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.452 ' CG ' ' O ' ' A' ' 93' ' ' ILE . 0.4 OUTLIER -126.68 154.02 44.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 0.749 . . . . 0.0 110.316 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 13.0 t -82.06 104.56 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.666 HG12 ' O ' ' A' ' 34' ' ' GLY . 2.1 m -86.49 -179.92 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -154.45 109.28 2.4 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 160.08 40.55 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.509 1.794 . . . . 0.0 110.976 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -136.42 163.53 30.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.69 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -67.9 -41.1 83.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.303 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.69 ' HB3' ' O ' ' A' ' 102' ' ' ARG . . . 83.13 40.35 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 31.7 m -118.5 174.8 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 62.61 135.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.6 ptt180 -42.54 139.75 1.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -165.45 144.64 6.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.52 ' HG3' HD22 ' A' ' 12' ' ' LEU . 1.0 OUTLIER -45.22 149.77 0.48 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 24.2 p -156.74 154.33 29.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.115 . . . . 0.0 110.013 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -92.67 174.26 36.05 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.519 1.137 . . . . 0.0 110.978 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 31.9 t 62.44 118.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 0.741 . . . . 0.0 110.02 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 149.99 97.2 0.17 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 62.79 5.99 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.453 1.765 . . . . 0.0 110.963 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.76 122.89 27.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.999 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 50.3 m 64.28 162.39 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.016 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.9 t -170.88 107.08 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 0.798 . . . . 0.0 110.028 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.44 144.0 1.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.995 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.79 65.78 0.55 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.435 1.084 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.44 103.89 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 0.765 . . . . 0.0 109.97 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.75 86.99 4.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.013 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 38.92 88.15 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -74.24 -174.8 2.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 0.766 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -177.54 -38.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.58 1.175 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.3 tttm -83.75 66.64 9.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.554 HG23 ' O ' ' A' ' 11' ' ' THR . 9.8 t -139.59 61.4 1.55 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 0.0 110.427 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -171.13 67.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.9 mp0 -110.07 158.66 18.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 110.313 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.6 m 54.33 104.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 110.436 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 32.0 m -67.66 157.17 87.03 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 129.32 12.19 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.535 1.808 . . . . 0.0 110.993 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.31 153.25 49.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.18 144.04 50.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 110.301 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -150.8 143.96 24.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.259 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -100.26 84.97 2.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.276 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.8 mmtp -84.76 172.62 11.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.343 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -109.15 139.2 44.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.54 -49.57 31.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.31 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -66.85 -15.53 63.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -93.07 -53.95 3.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.345 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -65.32 -11.3 40.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.3 m-30 -78.29 -44.37 25.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.2 mtm-85 -96.67 -12.94 23.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.297 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.469 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -88.14 117.32 26.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.486 HD22 HG23 ' A' ' 82' ' ' VAL . 4.8 mp -111.22 165.7 11.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.799 ' CZ ' ' CD2' ' A' ' 71' ' ' PHE . 45.4 t80 -114.57 103.58 11.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.984 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.729 HG21 HD11 ' A' ' 44' ' ' LEU . 6.7 mm -78.69 130.76 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.248 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.25 138.56 11.35 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.531 1.145 . . . . 0.0 110.974 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.443 ' O ' HG12 ' A' ' 98' ' ' VAL . . . 86.79 67.81 1.34 Allowed Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.668 HD21 HG22 ' A' ' 32' ' ' ILE . 10.4 mt -103.42 9.14 37.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 0.749 . . . . 0.0 109.325 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.592 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 1.3 t 66.46 -69.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.595 ' CD1' ' O ' ' A' ' 68' ' ' SER . 0.3 OUTLIER 162.05 -25.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 111.0 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.605 ' O ' HG23 ' A' ' 40' ' ' THR . 1.6 mp0 -89.42 -45.69 9.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.262 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 38' ' ' GLU . 1.8 m -37.75 96.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 110.399 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.605 HG23 ' O ' ' A' ' 38' ' ' GLU . 72.8 p -83.33 178.16 8.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.42 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.505 ' CG ' HG12 ' A' ' 59' ' ' VAL . 75.8 mt-10 -53.22 -50.37 64.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.269 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -63.07 -62.56 1.63 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.273 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.8 m -39.3 -47.55 1.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.019 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.729 HD11 HG21 ' A' ' 32' ' ' ILE . 2.2 tp -61.13 -65.08 0.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.849 ' HG2' HD12 ' A' ' 54' ' ' LEU . 8.1 mtp180 -46.61 -47.28 19.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.283 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -47.01 -25.15 0.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.403 ' N ' ' C ' ' A' ' 45' ' ' ARG . 27.8 t80 -93.55 -47.35 6.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.561 ' CB ' HD11 ' A' ' 54' ' ' LEU . 43.3 m-85 -89.92 26.06 1.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 45' ' ' ARG . 3.5 mt-10 -99.07 -13.67 19.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.277 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -76.26 -61.17 2.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 110.313 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.627 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 9.1 m-90 -50.66 -37.07 38.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 108.005 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -178.33 165.34 34.59 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.533 1.145 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.21 118.09 27.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 0.752 . . . . 0.0 109.349 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.849 HD12 ' HG2' ' A' ' 45' ' ' ARG . 12.5 mt -75.29 99.66 4.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.44 ' N ' ' O ' ' A' ' 75' ' ' THR . 61.4 p -46.76 -25.86 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.435 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -159.39 126.72 4.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.426 ' CB ' ' HG3' ' A' ' 45' ' ' ARG . 28.8 p -128.08 117.55 21.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 108.294 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.436 HG12 ' HE2' ' A' ' 60' ' ' MET . 7.4 t -115.64 142.31 29.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.336 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.505 HG12 ' CG ' ' A' ' 41' ' ' GLU . 7.3 p -124.06 121.89 63.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.573 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 36.3 mmt -73.93 136.47 43.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -134.72 138.24 44.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.293 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.53 134.97 13.18 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -21.55 15.87 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.477 1.777 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -99.38 -47.96 4.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.256 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.91 -37.1 72.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.47 1.106 . . . . 0.0 109.999 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 75.9 19.25 1.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.341 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.1 mtt-85 -121.21 148.33 44.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.298 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.595 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 66.8 m -42.32 129.1 3.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.993 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.09 -28.11 67.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 117.1 11.94 8.68 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.556 1.16 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.799 ' CD2' ' CZ ' ' A' ' 31' ' ' PHE . 9.3 p90 -158.28 154.41 27.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -158.42 -162.71 12.07 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.498 1.124 . . . . 0.0 111.059 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.4 ' HA ' ' O ' ' A' ' 30' ' ' LEU . 8.1 m-85 -128.61 149.55 50.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 110.99 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.614 ' CG2' HD11 ' A' ' 32' ' ' ILE . 12.3 m -135.73 123.33 35.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 55' ' ' THR . 2.4 m -110.24 99.85 8.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.421 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.477 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 19.6 m-85 -65.73 175.34 1.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 111.039 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.1 t -86.41 -48.64 8.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.101 . . . . 0.0 109.992 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.91 -179.69 3.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.991 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.465 ' O ' ' CG1' ' A' ' 82' ' ' VAL . 0.6 OUTLIER -88.23 -31.88 18.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 111.019 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.76 -62.13 2.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -43.61 -62.51 1.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.294 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.486 HG23 HD22 ' A' ' 30' ' ' LEU . 7.3 p -50.31 -35.37 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.16 -34.65 78.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.359 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.537 ' O ' ' HB2' ' A' ' 88' ' ' ALA . . . -72.27 -37.99 68.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.97 -34.16 76.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.459 ' CE ' ' HG3' ' A' ' 102' ' ' ARG . 0.7 OUTLIER -65.59 -34.2 77.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -114.7 51.98 0.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.549 ' O ' ' CD2' ' A' ' 91' ' ' HIS . . . -138.64 50.73 1.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.482 ' CB ' ' HA ' ' A' ' 90' ' ' PRO . 5.3 mtm105 -111.59 160.06 30.87 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.347 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.482 ' HA ' ' CB ' ' A' ' 89' ' ' ARG . 18.2 Cg_endo -75.04 -168.91 6.88 Favored 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 121.003 -2.499 . . . . 0.0 110.965 0.029 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.627 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 5.0 m170 -132.87 139.86 47.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 109.578 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.3 p -125.31 111.4 15.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.996 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.479 ' O ' ' CG ' ' A' ' 96' ' ' ARG . 9.9 mt -137.21 150.33 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.469 ' OD2' ' CB ' ' A' ' 36' ' ' SER . 41.5 t0 57.96 28.52 16.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 66.59 19.99 69.56 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.485 ' CZ ' ' HB2' ' A' ' 96' ' ' ARG . 0.1 OUTLIER -128.31 168.21 15.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 0.76 . . . . 0.0 110.339 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.429 ' O ' ' NH2' ' A' ' 96' ' ' ARG . 60.5 t -97.06 103.98 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.51 HG22 ' HB3' ' A' ' 91' ' ' HIS . 1.4 m -89.86 -174.39 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.414 ' N ' HG23 ' A' ' 98' ' ' VAL . 2.0 pm0 -158.67 109.53 1.63 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.258 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.437 ' HD2' ' CD ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -74.99 150.33 38.06 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.485 1.782 . . . . 0.0 111.035 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt -141.43 178.64 7.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.459 ' HG3' ' CE ' ' A' ' 86' ' ' MET . 1.5 ttt180 -107.06 157.4 17.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 29' ' ' LYS . . . -103.91 56.67 0.73 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.127 . . . . 0.0 109.33 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.575 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 0.4 OUTLIER -148.92 162.91 4.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.575 ' HB3' ' O ' ' A' ' 104' ' ' VAL . . . 76.22 -67.38 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.482 ' O ' ' C ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -58.4 -53.47 58.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.081 . . . . 0.0 110.289 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.482 ' C ' ' O ' ' A' ' 106' ' ' ARG . 1.7 pt-20 32.04 58.58 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -109.5 -176.9 3.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.355 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 13.8 t 54.56 89.65 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.024 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -163.83 75.16 0.17 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.445 1.091 . . . . 0.0 111.003 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 99.4 p -126.37 113.7 17.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 0.79 . . . . 0.0 109.975 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -102.69 158.14 17.95 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.47 1.106 . . . . 0.0 110.979 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 134.48 17.96 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.548 1.815 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.23 -58.79 2.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.006 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.57 101.8 5.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.034 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.952 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -120.62 147.38 45.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 0.774 . . . . 0.0 110.013 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.9 146.52 0.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.092 . . . . 0.0 110.016 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.66 168.26 41.35 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.47 1.106 . . . . 0.0 110.978 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.2 171.03 2.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 0.741 . . . . 0.0 109.969 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.02 169.63 0.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 110.025 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.43 136.16 3.91 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.565 1.166 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -140.71 174.41 10.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 0.748 . . . . 0.0 110.995 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -160.63 162.41 32.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.345 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.49 157.92 4.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.3 t -157.89 147.19 19.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 110.394 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -132.32 133.75 44.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -146.31 112.14 5.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.271 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.7 p -88.33 178.14 6.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.367 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.406 HG22 ' H ' ' A' ' 15' ' ' VAL . 1.5 m -47.87 120.51 7.84 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 104.06 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.535 1.808 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -85.54 -66.99 0.84 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 61.03 121.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 169.7 89.27 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 110.285 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.13 111.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.425 1.078 . . . . 0.0 109.271 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.29 177.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.25 162.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.68 -37.24 12.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.07 -24.23 65.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 29' ' ' LYS . 1.9 tp10 -75.2 -59.12 2.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.273 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -59.79 -24.42 64.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.312 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.5 m-30 -70.15 -37.01 75.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 110.98 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.7 mtm105 -99.57 -13.84 19.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.577 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 0.3 OUTLIER -91.47 116.67 29.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.52 HD21 ' HG2' ' A' ' 86' ' ' MET . 5.2 mp -110.49 146.12 36.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.36 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.642 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 30.2 t80 -98.32 103.6 15.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.974 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.733 HD11 ' CG2' ' A' ' 74' ' ' VAL . 3.9 mm -82.17 133.91 28.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.29 131.65 6.65 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.509 1.131 . . . . 0.0 111.017 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.639 ' O ' HG12 ' A' ' 98' ' ' VAL . . . 100.61 57.92 0.86 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.466 HD13 HD13 ' A' ' 44' ' ' LEU . 3.9 mt -99.41 9.31 43.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 0.762 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.587 ' O ' ' CG ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 74.11 -72.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.021 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.587 ' CG ' ' O ' ' A' ' 36' ' ' SER . 0.2 OUTLIER 164.34 -28.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.991 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.464 ' O ' HG23 ' A' ' 40' ' ' THR . 2.0 tt0 -87.97 -55.39 3.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.253 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 38' ' ' GLU . 1.1 m -36.9 98.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.116 . . . . 0.0 110.416 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.464 HG23 ' O ' ' A' ' 38' ' ' GLU . 80.7 p -81.63 -166.81 1.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.394 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.503 ' CG ' HG12 ' A' ' 59' ' ' VAL . 65.7 mt-10 -59.44 -55.34 35.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 43' ' ' SER . 2.2 mt-10 -57.35 -66.29 0.48 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 110.324 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 42' ' ' GLU . 3.3 m -38.58 -38.85 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.466 HD13 HD13 ' A' ' 35' ' ' LEU . 6.5 tp -74.6 -59.93 2.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -46.15 -46.17 17.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 110.309 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -46.83 -25.56 0.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.402 ' N ' ' C ' ' A' ' 45' ' ' ARG . 9.8 t80 -91.71 -47.33 7.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.613 ' CB ' HD11 ' A' ' 54' ' ' LEU . 39.1 m-85 -88.55 23.28 2.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 111.005 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 45' ' ' ARG . 1.1 mt-10 -98.81 -18.78 17.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -73.24 -60.64 2.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.351 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.635 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 7.3 m-90 -50.09 -36.34 29.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 107.988 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 179.97 155.81 16.36 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.506 1.129 . . . . 0.0 110.945 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.08 119.77 21.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.613 HD11 ' CB ' ' A' ' 48' ' ' TYR . 13.8 mt -75.62 125.87 29.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 34.5 p -86.11 -27.77 24.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.39 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -143.65 113.08 6.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 11.7 t -127.96 121.87 30.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 0.0 108.317 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.7 t -124.05 139.72 49.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.533 HG13 ' O ' ' A' ' 59' ' ' VAL . 11.9 p -124.43 108.98 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.365 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.579 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 34.3 mmt -57.76 149.25 22.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.474 ' NH1' HG13 ' A' ' 59' ' ' VAL . 2.0 mtm-85 -135.65 123.9 23.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.422 ' N ' ' HG3' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -40.99 124.2 2.0 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -25.6 11.64 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.52 1.8 . . . . 0.0 110.956 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -90.14 -49.18 6.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.6 m -72.09 -48.14 46.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 110.011 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 75.29 20.99 1.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.4 mtt85 -126.57 58.34 1.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.32 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.7 m 60.32 148.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.137 . . . . 0.0 109.966 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.562 ' HD3' ' CE2' ' A' ' 71' ' ' PHE . 3.4 mtt180 -91.93 -45.71 8.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.345 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 117.69 12.22 8.07 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.642 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 1.3 p90 -158.29 155.62 29.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 0.763 . . . . 0.0 110.978 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -164.85 -160.7 12.59 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.423 ' HA ' ' O ' ' A' ' 30' ' ' LEU . 4.5 m-85 -124.16 151.67 43.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.733 ' CG2' HD11 ' A' ' 32' ' ' ILE . 6.7 m -132.65 119.39 38.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.3 m -111.26 109.37 19.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.411 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.413 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 28.7 m-85 -73.16 -178.21 2.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.984 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.45 -44.41 10.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.998 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.55 176.32 5.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.01 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.45 ' O ' ' CG1' ' A' ' 82' ' ' VAL . 3.6 tpt -85.09 -30.17 24.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.435 ' O ' ' CB ' ' A' ' 83' ' ' ASP . . . -60.68 -62.34 1.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -43.03 -61.81 1.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.48 HG23 HD22 ' A' ' 30' ' ' LEU . 7.6 p -50.45 -32.72 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.435 ' CB ' ' O ' ' A' ' 80' ' ' ALA . 2.7 t0 -65.85 -35.1 79.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.14 -45.8 72.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.2 -48.04 81.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.52 ' HG2' HD21 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -50.12 -38.72 40.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -109.16 48.51 0.86 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.58 ' O ' ' CD2' ' A' ' 91' ' ' HIS . . . -136.59 46.35 2.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.505 ' CB ' ' HA ' ' A' ' 90' ' ' PRO . 4.1 mtm105 -106.25 160.88 24.64 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.323 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.505 ' HA ' ' CB ' ' A' ' 89' ' ' ARG . 18.4 Cg_endo -74.96 -174.91 14.95 Favored 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 121.004 -2.498 . . . . 0.0 110.998 0.013 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.635 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 7.1 m170 -127.13 126.3 42.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.603 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.4 p -115.88 112.88 22.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.971 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 5.4 mt -137.13 149.98 26.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.2 t70 64.51 12.55 7.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 85.12 1.25 88.61 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.553 1.158 . . . . 0.0 111.041 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.442 ' NH1' ' HB2' ' A' ' 96' ' ' ARG . 0.0 OUTLIER -115.71 162.4 17.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 0.731 . . . . 0.0 110.271 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 58.4 t -88.34 107.21 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.639 HG12 ' O ' ' A' ' 34' ' ' GLY . 1.6 m -88.03 -170.53 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.455 ' N ' HG23 ' A' ' 98' ' ' VAL . 3.6 pt-20 -158.25 109.44 1.71 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.153 . . . . 0.0 110.32 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 149.33 36.62 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.536 1.808 . . . . 0.0 110.995 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 25.7 mmtt -137.63 169.96 16.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.455 ' HG3' ' CE ' ' A' ' 86' ' ' MET . 5.8 mtp180 -102.7 141.18 35.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.28 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.577 ' HB3' ' O ' ' A' ' 29' ' ' LYS . . . -91.22 41.46 1.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.496 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 0.7 OUTLIER -142.86 159.39 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.496 ' HB3' ' O ' ' A' ' 104' ' ' VAL . . . 71.21 98.86 0.07 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 15.4 ttt180 -132.63 124.57 28.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.71 164.02 22.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.273 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.05 151.14 22.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.272 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.4 -58.13 1.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.999 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 112.71 127.47 4.78 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.5 m -119.88 153.14 36.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 0.742 . . . . 0.0 110.013 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -159.53 100.12 0.19 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.536 1.147 . . . . 0.0 110.967 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 114.89 4.13 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.538 1.809 . . . . 0.0 110.972 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 29.3 t -105.01 164.61 11.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 110.041 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.0 m -175.66 150.77 1.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.142 . . . . 0.0 110.026 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.9 147.33 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 0.785 . . . . 0.0 109.978 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.2 p -178.85 160.06 1.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.032 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.39 139.18 2.9 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.538 1.149 . . . . 0.0 110.966 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 p -175.99 116.32 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 0.735 . . . . 0.0 109.991 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 t -162.92 129.75 3.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.058 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.39 -164.79 10.92 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.523 1.139 . . . . 0.0 111.004 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.7 ptt? -178.82 124.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 0.759 . . . . 0.0 111.032 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -128.47 99.14 5.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.098 . . . . 0.0 110.303 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -116.02 -69.8 0.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 50.5 m 57.11 74.31 0.42 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 110.418 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.6 107.83 16.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.36 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.1 76.42 1.69 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.2 t -44.46 160.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.422 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 15' ' ' VAL . 26.6 m -119.96 119.43 31.03 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.262 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 164.71 32.86 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.489 1.784 . . . . 0.0 111.02 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.3 tp -40.43 -67.01 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.256 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -174.56 145.26 0.93 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.137 . . . . 0.0 110.292 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.03 133.67 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.33 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -102.26 -70.96 0.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? 73.69 -72.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -163.66 94.99 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.344 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.535 ' O ' ' CD1' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -92.71 -43.19 9.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.328 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.94 -24.76 67.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -77.96 -63.97 1.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.248 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -57.88 -19.23 27.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.319 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.535 ' CD1' ' O ' ' A' ' 23' ' ' GLU . 2.3 m-30 -69.51 -39.65 77.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.439 ' O ' HG23 ' A' ' 75' ' ' THR . 1.9 mtt-85 -121.04 36.66 4.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.708 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 1.2 tttt -127.68 112.65 15.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.588 HD22 HG23 ' A' ' 82' ' ' VAL . 6.8 mp -104.26 141.8 35.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.628 ' N ' ' HB2' ' A' ' 103' ' ' ALA . 29.4 t80 -102.61 108.66 20.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.627 HG22 HD21 ' A' ' 35' ' ' LEU . 6.5 mm -81.37 131.2 34.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.243 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.89 130.23 8.17 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 70' ' ' GLY . . . 81.62 76.26 1.08 Allowed Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.627 HD21 HG22 ' A' ' 32' ' ' ILE . 6.7 mt -97.0 -3.52 41.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 0.787 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.571 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 0.3 OUTLIER 83.82 -9.89 0.97 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.971 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.571 ' CG ' ' C ' ' A' ' 36' ' ' SER . 1.8 m-85 75.21 -2.35 2.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -113.98 4.71 15.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.3 m -102.24 108.91 20.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.415 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 35.2 p -77.81 158.47 29.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 110.407 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.683 ' CG ' HG12 ' A' ' 59' ' ' VAL . 85.8 mt-10 -40.44 -54.13 2.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 110.311 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 43' ' ' SER . 3.7 tt0 -56.8 -60.8 3.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 110.301 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 42' ' ' GLU . 0.6 OUTLIER -38.76 -53.54 1.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.981 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.602 HD21 ' CG1' ' A' ' 74' ' ' VAL . 1.9 tp -57.23 -50.97 71.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.541 ' CG ' HD12 ' A' ' 54' ' ' LEU . 8.8 mtm180 -52.63 -56.03 18.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 110.319 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.4 t30 -39.83 -29.95 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.666 ' CD2' HD11 ' A' ' 93' ' ' ILE . 13.5 t80 -90.82 -44.67 9.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 111.022 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -89.22 24.47 2.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 45' ' ' ARG . 0.5 OUTLIER -99.11 -31.81 11.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -63.23 -51.81 64.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.625 ' CZ2' ' NE2' ' A' ' 91' ' ' HIS . 5.2 m-90 -54.63 -41.27 69.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.122 . . . . 0.0 108.026 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.02 167.18 39.2 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.492 1.12 . . . . 0.0 111.048 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -85.94 116.97 24.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 0.781 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.541 HD12 ' CG ' ' A' ' 45' ' ' ARG . 30.8 mt -72.3 131.58 42.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.344 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 30.5 p -95.6 -15.44 22.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.397 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -159.08 118.16 2.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.45 ' SG ' ' NE ' ' A' ' 45' ' ' ARG . 6.2 p -125.7 121.65 34.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 108.316 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.2 t -130.7 138.62 53.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.683 HG12 ' CG ' ' A' ' 41' ' ' GLU . 7.3 p -124.46 115.78 45.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.574 ' HG3' ' CE1' ' A' ' 71' ' ' PHE . 36.6 mmt -68.17 136.27 53.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 111.037 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 62' ' ' ASP . 7.1 mtp180 -133.96 128.49 34.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.353 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 67' ' ' ARG . 0.4 OUTLIER -39.92 129.34 1.56 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -32.62 5.26 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.491 1.785 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -87.17 -46.32 9.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.36 -36.92 68.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.993 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 74.86 23.53 1.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 62' ' ' ASP . 6.2 mtp180 -122.11 154.61 37.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 0.0 110.341 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 18.8 m -58.96 124.78 21.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.022 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -65.18 -24.58 67.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.318 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' GLY . . . 100.07 25.13 9.16 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.62 ' CD1' ' CE2' ' A' ' 31' ' ' PHE . 2.1 p90 -160.34 148.8 16.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 0.761 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -159.77 -158.41 9.15 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.541 1.151 . . . . 0.0 110.974 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.4 ' HA ' ' O ' ' A' ' 30' ' ' LEU . 6.2 m-85 -131.39 145.78 51.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.762 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.602 ' CG1' HD21 ' A' ' 44' ' ' LEU . 26.4 m -131.13 108.75 15.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.439 HG23 ' O ' ' A' ' 28' ' ' ARG . 1.9 m -96.94 108.99 21.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.402 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.465 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 21.6 m-85 -73.51 -176.16 2.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.55 -32.25 10.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.034 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.6 t -123.29 170.8 9.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.02 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.441 ' HA ' ' CG1' ' A' ' 82' ' ' VAL . 0.1 OUTLIER -85.8 -33.29 21.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 111.005 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.13 -60.33 3.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.563 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 83.6 mt-10 -44.84 -60.67 1.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.588 HG23 HD22 ' A' ' 30' ' ' LEU . 7.5 p -52.88 -44.63 49.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.5 -31.3 61.92 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.658 ' O ' ' HB2' ' A' ' 88' ' ' ALA . . . -68.25 -52.15 37.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.426 1.079 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -51.01 -35.77 35.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.559 ' SD ' HD21 ' A' ' 30' ' ' LEU . 93.1 mmm -64.24 -58.07 7.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -92.18 37.03 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.658 ' HB2' ' O ' ' A' ' 84' ' ' ALA . . . -112.39 -31.93 6.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.507 ' CG ' ' HA ' ' A' ' 90' ' ' PRO . 0.3 OUTLIER -40.26 160.75 0.11 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.327 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.594 ' O ' ' CD2' ' A' ' 91' ' ' HIS . 18.3 Cg_endo -75.03 -179.29 26.17 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 121.008 -2.497 . . . . 0.0 110.96 0.032 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.625 ' NE2' ' CZ2' ' A' ' 51' ' ' TRP . 32.8 m170 -145.82 147.81 32.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.644 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.791 ' O ' HD13 ' A' ' 93' ' ' ILE . 50.7 m -132.39 134.86 45.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.961 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.791 HD13 ' O ' ' A' ' 92' ' ' SER . 10.6 mm -133.14 133.43 58.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.9 t70 69.78 7.59 6.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.092 . . . . 0.0 109.246 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 100.94 -9.96 58.44 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.49 1.118 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.495 ' CZ ' ' HB2' ' A' ' 96' ' ' ARG . 0.0 OUTLIER -94.33 162.67 13.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 0.0 110.287 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 17.3 t -95.32 112.98 28.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 1.9 m -94.03 -179.0 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -155.53 108.58 2.2 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.411 ' HD2' ' NE ' ' A' ' 89' ' ' ARG . 18.1 Cg_endo -75.02 161.88 37.99 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.492 1.785 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt -139.94 155.66 47.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.081 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.695 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 3.4 ttt180 -61.16 -36.08 78.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.708 ' HB3' ' O ' ' A' ' 29' ' ' LYS . . . 83.72 -6.18 1.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.338 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.5 t -99.39 150.86 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 64.23 108.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.56 -71.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -51.13 160.32 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.327 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -150.03 153.34 36.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.333 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 77.8 p -107.49 131.38 54.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 110.041 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -96.22 -68.53 0.99 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.2 155.58 44.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 0.759 . . . . 0.0 110.069 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -121.87 156.0 16.69 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.499 1.124 . . . . 0.0 111.02 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 150.29 38.21 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.506 1.793 . . . . 0.0 111.038 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.69 128.28 49.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.98 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.5 m -83.68 103.47 13.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.975 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.128 . . . . 0.0 111.002 179.97 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.37 153.62 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 0.0 109.989 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.6 p -165.6 162.72 19.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.996 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.76 117.47 1.14 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.491 1.12 . . . . 0.0 111.008 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.9 p 179.64 150.26 0.34 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 0.764 . . . . 0.0 110.03 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.8 171.81 1.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.05 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.96 133.51 6.36 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.12 . . . . 0.0 110.987 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -170.72 143.35 2.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 0.728 . . . . 0.0 110.983 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -150.59 -72.81 0.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.315 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.64 166.06 0.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 109.243 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.681 ' O ' HG22 ' A' ' 11' ' ' THR . 3.2 m 60.41 54.05 4.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 110.386 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.2 mt -126.48 157.11 39.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 61.2 148.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.4 m -130.04 129.26 43.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 110.448 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.3 m -93.67 153.59 41.15 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 140.65 25.66 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.508 1.794 . . . . 0.0 110.985 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.3 mp -103.59 159.16 15.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 109.279 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -166.67 134.98 2.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 31.8 ptt180 -68.41 145.13 54.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.0 mmtm -125.81 133.35 52.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.31 174.97 7.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.9 mmt180 66.61 131.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.313 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -95.77 -51.34 4.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.79 -33.35 64.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 29' ' ' LYS . 23.9 tt0 -66.85 -64.97 0.74 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -55.38 -18.03 5.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 110.289 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -75.02 -37.59 61.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 111.029 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.453 ' NH2' ' O ' ' A' ' 76' ' ' PHE . 10.9 mtp-105 -107.55 -2.13 20.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.557 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -97.13 118.15 32.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.27 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.635 HD22 HG23 ' A' ' 82' ' ' VAL . 6.9 mp -106.6 149.73 26.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.801 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 6.9 t80 -111.29 112.23 23.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.53 HG22 HD21 ' A' ' 35' ' ' LEU . 8.3 mm -84.67 133.64 28.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.68 130.13 7.77 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.517 1.135 . . . . 0.0 111.015 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.52 ' C ' HD23 ' A' ' 35' ' ' LEU . . . 86.2 74.98 1.26 Allowed Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.53 HD21 HG22 ' A' ' 32' ' ' ILE . 2.9 mt -98.76 1.0 45.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 0.78 . . . . 0.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.525 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 0.2 OUTLIER 72.38 -3.33 2.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 110.038 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.525 ' CG ' ' C ' ' A' ' 36' ' ' SER . 0.8 OUTLIER 71.87 -0.96 3.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 111.042 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.404 ' C ' ' OD2' ' A' ' 94' ' ' ASP . 0.0 OUTLIER -115.35 19.51 15.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.316 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.23 106.71 12.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.377 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 41.6 p -78.66 168.8 19.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.404 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.487 ' CG ' HG12 ' A' ' 59' ' ' VAL . 58.2 mt-10 -45.63 -55.16 6.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.278 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 45' ' ' ARG . 0.3 OUTLIER -59.6 -59.44 5.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.264 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.2 m -43.11 -31.27 0.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 109.994 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.591 HD23 ' SG ' ' A' ' 57' ' ' CYS . 0.8 OUTLIER -82.62 -42.09 18.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.653 ' HG2' HD12 ' A' ' 54' ' ' LEU . 8.3 mtm-85 -61.08 -45.61 94.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 0.0 110.275 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 29.4 t30 -52.22 -21.81 3.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.246 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.673 ' CD2' HD11 ' A' ' 93' ' ' ILE . 27.7 t80 -93.45 -43.67 8.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.982 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.741 ' CB ' HD11 ' A' ' 54' ' ' LEU . 24.2 m-85 -93.1 22.75 4.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 111.044 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 45' ' ' ARG . 3.1 mt-10 -98.9 -23.53 15.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.507 1.129 . . . . 0.0 110.33 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -72.24 -36.32 69.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.66 ' CH2' ' CE1' ' A' ' 91' ' ' HIS . 6.5 m0 -74.38 -45.54 46.24 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -169.02 165.66 39.09 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.07 110.18 19.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 0.794 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.741 HD11 ' CB ' ' A' ' 48' ' ' TYR . 18.2 mt -69.78 112.48 6.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 75' ' ' THR . 40.0 p -55.38 -32.72 62.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 110.416 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -160.79 138.63 9.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.591 ' SG ' HD23 ' A' ' 44' ' ' LEU . 32.2 t -128.48 123.77 34.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 108.325 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.9 t -119.66 136.55 56.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.487 HG12 ' CG ' ' A' ' 41' ' ' GLU . 14.7 p -124.6 119.46 56.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.565 ' HG3' ' CE1' ' A' ' 71' ' ' PHE . 33.4 mmt -71.82 135.47 46.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -133.28 126.36 31.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.335 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 66' ' ' LYS . 1.6 t0 -41.14 124.52 2.09 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.259 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -21.12 16.21 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.465 1.771 . . . . 0.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -95.94 -46.42 6.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.78 -32.69 57.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.997 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 62' ' ' ASP . 0.3 OUTLIER 75.47 15.69 2.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -113.99 145.22 41.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.7 t -46.18 133.06 9.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.02 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -27.16 66.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.334 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 102.12 16.37 23.43 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.801 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 1.3 p90 -159.18 147.11 17.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 0.749 . . . . 0.0 110.961 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -153.06 -159.82 9.3 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.478 1.111 . . . . 0.0 110.972 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.447 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 1.6 m-85 -133.93 151.24 51.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 111.056 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.543 ' CG1' HD21 ' A' ' 44' ' ' LEU . 26.7 m -135.28 122.54 36.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 55' ' ' THR . 5.6 m -104.98 104.94 14.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 110.38 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.562 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 27.2 m-85 -68.88 169.5 11.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.977 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.25 -34.26 17.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.961 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.3 m -127.83 171.87 11.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.01 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.457 ' HA ' ' CG1' ' A' ' 82' ' ' VAL . 1.3 tpt -83.28 -26.76 30.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.138 . . . . 0.0 110.991 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.21 -60.6 3.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.667 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 6.3 mt-10 -45.76 -61.25 1.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.34 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.635 HG23 HD22 ' A' ' 30' ' ' LEU . 7.6 p -51.29 -47.2 34.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.31 -21.9 38.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.667 ' HB3' ' O ' ' A' ' 81' ' ' GLU . . . -77.23 -65.69 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.356 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -40.3 -47.68 2.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.581 ' SD ' HD21 ' A' ' 30' ' ' LEU . 95.0 mmm -51.13 -54.82 21.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -92.75 51.08 1.66 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.52 ' O ' ' CD2' ' A' ' 91' ' ' HIS . . . -141.88 40.3 1.67 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.506 ' CB ' ' HA ' ' A' ' 90' ' ' PRO . 26.2 mtm-85 -95.4 161.02 29.27 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.27 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.506 ' HA ' ' CB ' ' A' ' 89' ' ' ARG . 18.4 Cg_endo -74.96 -177.53 20.76 Favored 'Cis proline' 0 C--N 1.361 1.194 0 C-N-CA 120.986 -2.506 . . . . 0.0 111.0 -0.063 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.66 ' CE1' ' CH2' ' A' ' 51' ' ' TRP . 7.9 m170 -125.36 130.28 51.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.613 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 p -121.74 114.41 21.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.673 HD11 ' CD2' ' A' ' 47' ' ' TYR . 9.6 mt -137.12 148.34 26.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.404 ' OD2' ' C ' ' A' ' 38' ' ' GLU . 7.3 t0 65.65 12.3 8.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 85.67 7.24 82.0 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -121.5 168.11 12.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 0.741 . . . . 0.0 110.322 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 98.2 t -93.65 105.92 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.447 HG12 ' O ' ' A' ' 34' ' ' GLY . 1.5 m -90.3 -173.22 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.414 ' N ' HG23 ' A' ' 98' ' ' VAL . 4.4 pt-20 -155.79 108.73 2.15 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.301 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.418 ' HG3' ' ND1' ' A' ' 91' ' ' HIS . 18.3 Cg_endo -74.98 160.79 39.79 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.493 1.786 . . . . 0.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.3 mttm -138.75 158.67 43.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.633 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 10.4 ttt180 -69.66 -37.91 76.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 110.311 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.633 ' HB3' ' O ' ' A' ' 102' ' ' ARG . . . 79.49 41.6 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.527 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 0.7 OUTLIER -143.19 165.52 15.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 104' ' ' VAL . . . 72.73 65.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -156.24 87.99 1.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 110.291 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -162.45 156.67 21.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.318 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -154.54 90.99 1.36 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 110.301 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.56 128.31 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.001 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -139.18 146.94 18.78 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.438 1.086 . . . . 0.0 110.992 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.8 167.7 0.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 0.753 . . . . 0.0 110.023 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 161.53 111.76 0.28 Allowed Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.494 1.121 . . . . 0.0 111.052 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -49.78 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.459 1.768 . . . . 0.0 110.993 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.6 m 62.16 156.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.998 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 59.8 p -158.22 166.76 31.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.023 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.509 1.131 . . . . 0.0 111.012 179.98 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 69.87 145.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 0.752 . . . . 0.0 109.985 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m 176.95 163.46 0.47 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.988 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.43 -107.03 0.2 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.526 1.141 . . . . 0.0 111.016 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 m 61.8 131.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 0.775 . . . . 0.0 109.991 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 177.18 170.95 0.55 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.986 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.08 164.63 27.95 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.451 1.094 . . . . 0.0 111.011 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -178.83 173.13 1.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 0.75 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -170.25 139.59 1.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.27 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -138.49 113.25 9.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.9 p -89.74 150.65 22.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.081 . . . . 0.0 110.414 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 mt -155.96 132.5 10.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -154.65 125.34 7.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.449 ' O ' HG13 ' A' ' 15' ' ' VAL . 5.2 t -167.09 144.71 4.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.411 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.449 HG13 ' O ' ' A' ' 14' ' ' THR . 27.2 m -155.14 153.64 27.42 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.23 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -164.34 0.23 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.468 1.772 . . . . 0.0 110.979 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -164.5 72.26 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -144.02 168.47 19.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -160.61 160.1 31.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.263 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 tttp 175.3 117.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 62.07 150.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.0 mtp180 39.8 67.55 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 110.324 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.448 ' O ' ' CD1' ' A' ' 27' ' ' PHE . 1.1 mp0 -91.74 -58.62 2.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.11 -15.28 44.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.25 -64.48 1.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.282 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -55.84 -18.44 8.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.298 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.448 ' CD1' ' O ' ' A' ' 23' ' ' GLU . 2.0 m-30 -69.05 -47.87 64.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.4 mtm180 -94.9 -14.39 24.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.251 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -87.19 112.91 22.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.882 HD21 ' SD ' ' A' ' 86' ' ' MET . 0.9 OUTLIER -102.48 165.69 10.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.736 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 11.6 t80 -121.74 112.4 18.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.991 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.652 HD12 ' CZ ' ' A' ' 48' ' ' TYR . 8.1 mm -87.66 120.2 36.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.68 119.63 4.01 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.509 1.131 . . . . 0.0 111.015 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.61 ' O ' HG12 ' A' ' 98' ' ' VAL . . . 121.1 34.04 0.92 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.712 HD21 HD13 ' A' ' 44' ' ' LEU . 2.2 mp -79.2 2.6 20.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 0.762 . . . . 0.0 109.339 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.559 ' O ' ' CG ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 72.04 -66.26 0.31 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 110.015 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.559 ' CG ' ' O ' ' A' ' 36' ' ' SER . 0.2 OUTLIER 166.74 -28.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.659 ' O ' HG23 ' A' ' 40' ' ' THR . 6.9 mt-10 -83.78 -55.61 4.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 110.274 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 38' ' ' GLU . 1.0 OUTLIER -37.49 96.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.392 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.659 HG23 ' O ' ' A' ' 38' ' ' GLU . 79.3 p -86.12 -159.88 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.417 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.666 ' CG ' HG12 ' A' ' 59' ' ' VAL . 34.2 mt-10 -65.13 -51.38 61.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.16 . . . . 0.0 110.328 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 45' ' ' ARG . 1.6 tt0 -58.11 -69.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 110.322 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 42' ' ' GLU . 4.8 m -38.6 -55.4 1.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 110.02 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.766 HD21 ' CG1' ' A' ' 74' ' ' VAL . 0.9 OUTLIER -51.15 -46.98 62.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.604 ' CG ' HD12 ' A' ' 54' ' ' LEU . 9.2 mtp180 -66.66 -50.71 62.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -46.32 -25.59 0.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.769 ' CD2' HD11 ' A' ' 93' ' ' ILE . 77.3 t80 -92.7 -45.76 7.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.652 ' CZ ' HD12 ' A' ' 32' ' ' ILE . 20.6 m-85 -87.98 20.74 2.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.976 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 45' ' ' ARG . 2.8 mt-10 -99.28 -16.73 18.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.266 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.401 ' CD ' ' O ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -83.36 -7.67 59.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.312 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.623 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 7.9 m0 -105.33 -36.95 7.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 108.023 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.99 166.42 37.59 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.487 1.117 . . . . 0.0 111.042 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.59 109.35 20.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 0.767 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.637 HD13 ' CG1' ' A' ' 74' ' ' VAL . 17.8 mt -69.11 104.27 2.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 75' ' ' THR . 36.0 p -59.92 -14.73 17.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 110.407 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -160.92 117.77 2.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.404 ' O ' ' SG ' ' A' ' 57' ' ' CYS . 27.3 p -122.61 116.6 24.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 108.275 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.8 t -121.75 139.04 50.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.108 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.666 HG12 ' CG ' ' A' ' 41' ' ' GLU . 7.7 p -124.56 112.32 31.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.564 ' HG3' ' CE1' ' A' ' 71' ' ' PHE . 35.4 mmt -64.03 147.15 52.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 111.027 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.415 ' HA ' ' N ' ' A' ' 69' ' ' ARG . 19.3 mtt180 -139.3 132.1 29.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.27 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 66' ' ' LYS . 46.2 m-20 -45.6 124.98 6.22 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.354 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -18.55 18.54 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.48 1.779 . . . . 0.0 110.978 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -97.78 -41.86 7.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.88 -47.86 12.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.977 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER 72.06 26.78 2.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 45.7 mtt-85 -124.95 48.12 2.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 49.2 m 61.15 145.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.039 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.425 ' HG2' ' N ' ' A' ' 62' ' ' ASP . 0.2 OUTLIER -90.63 -41.13 11.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.317 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 115.22 17.81 6.55 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.736 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 1.8 p90 -160.29 152.14 20.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 0.777 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -157.99 -158.46 8.99 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.525 1.141 . . . . 0.0 110.98 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.408 ' HA ' ' O ' ' A' ' 30' ' ' LEU . 3.1 m-85 -132.4 151.07 52.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 0.759 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.766 ' CG1' HD21 ' A' ' 44' ' ' LEU . 28.7 m -134.33 112.5 16.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 55' ' ' THR . 19.9 m -100.5 98.26 8.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.514 1.134 . . . . 0.0 110.387 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.573 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 30.1 m-85 -67.26 172.48 4.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.27 -54.5 6.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.936 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.3 m -112.61 174.05 6.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.984 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.441 ' HA ' ' CG1' ' A' ' 82' ' ' VAL . 0.8 OUTLIER -87.83 -10.91 49.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.34 -59.54 2.7 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 109.339 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.624 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 3.8 mm-40 -48.51 -60.4 2.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.573 ' HB ' ' CD2' ' A' ' 76' ' ' PHE . 6.4 p -49.16 -44.6 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.45 -30.61 65.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.624 ' HB3' ' O ' ' A' ' 81' ' ' GLU . . . -63.72 -60.46 3.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.351 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -45.32 -50.64 11.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.882 ' SD ' HD21 ' A' ' 30' ' ' LEU . 98.8 mmm -47.68 -51.56 21.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 111.025 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -91.52 47.33 1.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -141.77 27.38 1.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.486 ' HA ' ' C ' ' A' ' 90' ' ' PRO . 0.5 OUTLIER -82.84 158.79 64.54 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.486 ' C ' ' HA ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -75.03 -174.91 14.99 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 121.016 -2.493 . . . . 0.0 111.001 0.02 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.623 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 18.8 m170 -127.06 136.93 52.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.581 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.532 ' O ' ' CE1' ' A' ' 47' ' ' TYR . 4.6 p -127.88 114.75 17.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.971 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.769 HD11 ' CD2' ' A' ' 47' ' ' TYR . 15.9 mt -134.61 150.6 30.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.1 t0 62.93 14.31 7.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.9 12.21 81.57 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.479 1.112 . . . . 0.0 110.96 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.444 ' HD3' ' CB ' ' A' ' 36' ' ' SER . 7.0 ptm180 -127.75 168.15 15.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 72.7 t -88.53 116.5 30.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.61 HG12 ' O ' ' A' ' 34' ' ' GLY . 1.5 m -99.16 -173.17 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.354 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.421 ' N ' HG23 ' A' ' 98' ' ' VAL . 5.9 pt-20 -159.19 109.39 1.54 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 110.266 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 162.43 37.19 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.458 1.767 . . . . 0.0 111.004 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.401 ' HD2' ' CD1' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -141.91 140.67 32.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.424 ' HB3' HG13 ' A' ' 104' ' ' VAL . 0.0 OUTLIER -54.63 -21.4 10.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.273 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.416 ' HB2' ' N ' ' A' ' 31' ' ' PHE . . . 66.81 41.23 2.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.424 HG13 ' HB3' ' A' ' 102' ' ' ARG . 35.6 m -112.75 158.02 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.422 ' O ' ' CB ' ' A' ' 106' ' ' ARG . . . 61.02 150.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.254 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.422 ' CB ' ' O ' ' A' ' 105' ' ' ALA . 0.2 OUTLIER 78.34 159.42 0.19 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 110.304 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 77.82 141.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.138 . . . . 0.0 110.323 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 68.76 117.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.277 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.2 t -158.73 160.56 36.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.995 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -76.86 -178.99 47.56 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.501 1.126 . . . . 0.0 110.986 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -154.84 -64.71 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 0.747 . . . . 0.0 110.013 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 104.26 100.15 2.6 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 176.21 10.21 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.504 1.791 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 17.7 p -159.24 165.49 33.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.971 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.2 t -179.69 161.88 1.04 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.042 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.473 1.108 . . . . 0.0 111.035 -179.994 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.02 135.86 53.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 0.75 . . . . 0.0 110.013 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.6 m -151.88 135.88 16.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.031 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -43.92 163.52 0.05 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.2 p -81.9 104.16 12.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 0.766 . . . . 0.0 110.009 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.1 m -163.92 81.37 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 110.01 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.68 63.16 0.61 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.478 1.111 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -152.89 168.13 26.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 0.796 . . . . 0.0 110.993 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 52.52 102.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.7 tttt -118.8 116.55 26.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 74.7 p -112.49 167.42 10.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 110.393 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -172.49 114.04 0.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.352 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -118.45 151.96 36.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.231 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.5 m -77.93 157.6 29.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.352 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.3 m -129.03 154.55 80.41 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.448 ' C ' HD23 ' A' ' 17' ' ' LEU . 18.5 Cg_endo -74.98 177.27 8.8 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.509 1.794 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.448 HD23 ' C ' ' A' ' 16' ' ' PRO . 0.4 OUTLIER -172.94 97.89 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -168.32 162.13 12.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.88 136.67 1.39 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.45 1.094 . . . . 0.0 110.311 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -152.86 172.92 16.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.98 -175.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.78 92.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.282 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.76 -45.2 7.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 110.292 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.414 ' C ' ' N ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -97.99 -56.72 2.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 29' ' ' LYS . 2.1 tt0 -43.48 -26.64 0.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.338 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.414 ' N ' ' C ' ' A' ' 24' ' ' LYS . 14.1 pt20 -55.45 -18.67 7.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.278 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -77.7 -42.7 33.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 68.5 mtt180 -95.15 -7.37 39.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 110.291 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.79 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 0.5 OUTLIER -90.53 114.44 26.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.543 HD22 HG23 ' A' ' 82' ' ' VAL . 10.7 mp -107.06 136.38 47.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.738 ' CE2' ' CD1' ' A' ' 71' ' ' PHE . 23.0 t80 -93.13 109.49 20.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.989 HG21 HD11 ' A' ' 44' ' ' LEU . 15.8 mm -78.71 126.7 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.96 112.57 1.49 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.886 ' O ' HG12 ' A' ' 98' ' ' VAL . . . 123.91 36.74 0.61 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.688 HD13 ' HA ' ' A' ' 71' ' ' PHE . 5.5 mp -77.37 -8.79 58.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 0.78 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.538 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER 65.91 9.98 6.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.988 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.538 ' CG ' ' C ' ' A' ' 36' ' ' SER . 2.5 m-85 75.43 -2.25 2.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.143 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.463 ' O ' HG23 ' A' ' 40' ' ' THR . 4.2 mt-10 -101.2 -52.06 3.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.468 HG22 ' O ' ' A' ' 39' ' ' THR . 0.9 OUTLIER -49.98 97.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.442 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.463 HG23 ' O ' ' A' ' 38' ' ' GLU . 18.6 p -82.01 -172.67 4.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.395 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -54.05 -55.8 24.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.327 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -56.02 -70.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.327 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.5 m -38.24 -58.35 0.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 110.032 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.989 HD11 HG21 ' A' ' 32' ' ' ILE . 13.6 tp -45.75 -60.36 2.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.524 ' HG2' HD12 ' A' ' 54' ' ' LEU . 14.7 mtp180 -56.56 -50.0 73.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.173 . . . . 0.0 110.306 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 45' ' ' ARG . 5.6 t30 -40.25 -29.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.59 ' CE1' ' O ' ' A' ' 92' ' ' SER . 65.7 t80 -94.37 -43.4 8.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.761 ' CZ ' HD12 ' A' ' 32' ' ' ILE . 41.8 m-85 -87.1 21.96 2.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 45' ' ' ARG . 2.1 mt-10 -99.08 -17.23 18.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.246 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -74.45 -61.87 1.72 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.607 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 7.6 m-90 -51.31 -40.62 59.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 107.999 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 48' ' ' TYR . . . -175.86 170.62 43.6 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.08 127.3 37.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 0.732 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.57 HD11 ' CB ' ' A' ' 48' ' ' TYR . 10.5 mt -81.71 110.23 16.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 75' ' ' THR . 34.2 p -59.43 -21.14 59.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 110.398 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -160.9 127.08 3.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.544 ' SG ' HD23 ' A' ' 44' ' ' LEU . 8.4 t -128.29 122.37 31.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 108.311 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.3 t -127.33 139.53 51.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.3 p -124.26 118.54 54.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.335 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.567 ' HG3' ' CE1' ' A' ' 71' ' ' PHE . 34.5 mmt -68.57 142.85 55.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.5 mtp180 -136.7 137.74 40.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.256 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 66' ' ' LYS . 1.6 t0 -53.56 124.34 40.93 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -13.5 21.44 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.514 1.797 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -104.73 -43.23 5.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.76 -17.17 42.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.999 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 62' ' ' ASP . 6.2 mmtt 56.31 38.15 29.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.59 144.73 42.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.46 130.73 5.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -66.13 -27.44 68.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.257 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 108.14 17.5 10.8 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.738 ' CD1' ' CE2' ' A' ' 31' ' ' PHE . 4.7 p90 -161.05 154.75 22.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 0.774 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -156.72 -161.25 10.62 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.472 1.107 . . . . 0.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.433 ' CD1' ' NZ ' ' A' ' 29' ' ' LYS . 8.7 m-85 -131.59 144.92 51.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 0.744 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.558 ' CG1' HD13 ' A' ' 54' ' ' LEU . 27.4 m -131.97 115.96 28.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 55' ' ' THR . 12.9 m -101.12 98.96 9.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 110.411 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.52 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 17.4 m-85 -65.26 156.59 31.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.415 ' HA ' ' CG2' ' A' ' 55' ' ' THR . 1.0 OUTLIER -69.76 -51.45 33.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.001 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 t -111.62 175.69 5.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.009 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.461 ' O ' ' CG1' ' A' ' 82' ' ' VAL . 0.6 OUTLIER -87.39 -30.19 20.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.963 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.11 -62.55 1.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -42.96 -62.45 1.02 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.543 HG23 HD22 ' A' ' 30' ' ' LEU . 7.4 p -51.23 -43.45 28.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.342 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.13 -37.43 66.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.577 ' O ' ' HB2' ' A' ' 88' ' ' ALA . . . -70.76 -41.07 72.24 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.52 1.137 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.09 -29.34 69.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.358 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.411 ' HG2' HD21 ' A' ' 30' ' ' LEU . 1.1 mtp -67.28 -39.12 86.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.997 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -110.85 38.94 2.36 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.15 . . . . 0.0 109.307 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.577 ' HB2' ' O ' ' A' ' 84' ' ' ALA . . . -111.05 -23.81 10.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.501 ' HA ' ' C ' ' A' ' 90' ' ' PRO . 0.1 OUTLIER -42.0 154.35 0.26 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -75.05 155.1 99.93 Favored 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 120.987 -2.506 . . . . 0.0 111.045 0.02 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.607 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 8.0 m170 -103.0 118.98 38.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.63 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.59 ' O ' ' CE1' ' A' ' 47' ' ' TYR . 74.7 p -106.82 125.53 51.13 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.507 1.129 . . . . 0.0 110.047 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.561 HG12 ' CD2' ' A' ' 47' ' ' TYR . 12.7 mt -134.51 123.7 43.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 59.28 29.99 19.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 109.273 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.43 -8.77 60.55 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.488 1.118 . . . . 0.0 110.987 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.447 ' O ' ' HA ' ' A' ' 92' ' ' SER . 0.0 OUTLIER -80.48 158.46 25.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.776 . . . . 0.0 110.32 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 99.3 t -105.84 84.58 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.886 HG12 ' O ' ' A' ' 34' ' ' GLY . 1.1 m -83.58 170.54 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -151.52 111.2 2.98 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.287 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.466 ' HD2' ' CD ' ' A' ' 89' ' ' ARG . 18.2 Cg_endo -75.01 157.72 42.56 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.518 1.799 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.4 mmmt -134.44 160.21 38.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.604 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 0.3 OUTLIER -60.5 -36.95 79.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.79 ' HB3' ' O ' ' A' ' 29' ' ' LYS . . . 77.91 49.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 27.9 m -121.86 175.33 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.27 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -83.65 -65.02 1.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.352 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 -128.33 133.76 48.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.23 130.5 43.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.307 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 109' ' ' SER . 3.4 tp10 -171.06 146.39 2.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.26 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.409 ' N ' ' HG3' ' A' ' 108' ' ' GLU . 0.1 OUTLIER -52.16 153.71 2.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.009 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 175.21 -116.88 0.59 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.523 1.139 . . . . 0.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.9 m 59.89 106.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 0.757 . . . . 0.0 109.984 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -168.69 75.86 0.11 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.485 1.116 . . . . 0.0 111.048 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 157.15 43.03 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.467 1.772 . . . . 0.0 111.004 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -173.12 157.2 3.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.976 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.9 135.54 43.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.963 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.533 1.146 . . . . 0.0 111.0 -179.978 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -175.0 152.85 1.55 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 0.771 . . . . 0.0 110.033 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.3 p -167.52 153.13 7.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.987 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.27 -79.07 0.04 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.464 1.103 . . . . 0.0 111.06 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.3 123.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.497 0.763 . . . . 0.0 110.021 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.8 158.77 2.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.428 1.08 . . . . 0.0 110.004 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.04 123.23 0.81 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.493 1.121 . . . . 0.0 111.028 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -166.64 138.26 3.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 0.776 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -141.89 163.01 34.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.322 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.1 ptpt -160.97 170.02 21.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.0 t -136.13 124.94 23.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 110.428 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.0 mt -130.03 159.27 37.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.259 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.457 ' O ' HG13 ' A' ' 15' ' ' VAL . 1.8 mp0 -131.45 143.29 50.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.52 131.8 51.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.42 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.478 ' O ' HG23 ' A' ' 15' ' ' VAL . 21.2 m -123.46 114.84 28.68 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 152.42 40.99 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.551 1.817 . . . . 0.0 111.017 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -176.01 130.83 0.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -78.46 81.58 4.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 110.285 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 169.84 161.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.282 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 68.03 166.79 0.25 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.82 109.47 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.258 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.7 158.75 33.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 110.339 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -93.91 -44.57 8.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.54 -56.76 2.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -43.3 -41.75 4.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.318 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.47 ' HB2' ' CG2' ' A' ' 104' ' ' VAL . 0.0 OUTLIER -45.03 -26.72 0.47 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 110.31 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 11.0 m-30 -59.35 -50.01 75.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.43 ' O ' HG23 ' A' ' 75' ' ' THR . 0.2 OUTLIER -115.12 44.43 1.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.267 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.442 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -125.69 121.82 34.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.6 HD22 HG23 ' A' ' 82' ' ' VAL . 6.7 mp -119.18 149.21 42.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.589 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 20.9 t80 -109.8 104.59 13.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 111.027 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.661 HG22 HD21 ' A' ' 35' ' ' LEU . 5.6 mm -82.19 131.66 33.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.55 142.0 13.27 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.488 1.117 . . . . 0.0 110.973 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.51 ' O ' HG12 ' A' ' 98' ' ' VAL . . . 87.77 58.8 1.77 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.661 HD21 HG22 ' A' ' 32' ' ' ILE . 7.0 mt -95.95 8.83 42.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 0.796 . . . . 0.0 109.345 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.569 ' O ' ' CG ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 76.26 -69.91 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.047 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.569 ' CG ' ' O ' ' A' ' 36' ' ' SER . 0.2 OUTLIER 159.86 -25.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 39' ' ' THR . 0.0 OUTLIER -85.66 -49.48 7.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 110.256 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.407 ' CG2' HD13 ' A' ' 35' ' ' LEU . 1.0 OUTLIER -36.88 99.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.387 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 41' ' ' GLU . 0.7 OUTLIER -84.55 160.98 20.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 110.388 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.515 ' HG3' HG12 ' A' ' 59' ' ' VAL . 1.2 tt0 -37.54 -66.42 0.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -48.16 -59.09 3.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.105 . . . . 0.0 110.264 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.8 m -40.74 -56.83 2.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.955 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.508 HD13 ' CD1' ' A' ' 35' ' ' LEU . 7.1 tp -49.08 -52.73 23.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.519 ' CG ' HD12 ' A' ' 54' ' ' LEU . 14.9 mtp180 -55.52 -49.96 71.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -47.93 -25.8 1.48 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.823 ' CD2' HD11 ' A' ' 93' ' ' ILE . 18.4 t80 -91.76 -45.34 8.47 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.49 1.119 . . . . 0.0 111.031 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.471 ' CB ' HD11 ' A' ' 54' ' ' LEU . 21.5 m-85 -89.47 23.08 2.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.137 . . . . 0.0 111.013 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 45' ' ' ARG . 1.4 mt-10 -99.32 -22.28 15.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.424 ' HG2' ' N ' ' A' ' 51' ' ' TRP . 0.4 OUTLIER -76.05 -30.8 58.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.638 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 7.8 m0 -79.34 -38.65 34.64 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -179.56 155.57 16.06 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 111.027 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.12 118.11 19.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 0.793 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.519 HD12 ' CG ' ' A' ' 45' ' ' ARG . 11.1 mt -77.0 105.05 7.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 73.2 p -63.89 -28.74 70.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.431 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -146.71 115.85 6.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 43.1 t -127.76 127.13 43.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 108.292 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.0 t -127.06 131.31 70.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.515 HG12 ' HG3' ' A' ' 41' ' ' GLU . 10.8 p -114.26 113.86 45.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.579 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 33.6 mmt -68.77 145.92 53.36 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.5 mtt85 -126.4 161.81 27.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.322 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.474 ' HB3' ' CB ' ' A' ' 65' ' ' SER . 7.5 t0 -72.9 128.33 88.22 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -11.21 21.43 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.515 1.797 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -107.57 -36.1 6.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.474 ' CB ' ' HB3' ' A' ' 62' ' ' ASP . 0.1 OUTLIER -85.57 -40.73 15.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.983 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 62' ' ' ASP . 21.8 mttp 67.68 40.07 2.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -127.31 -73.24 0.61 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.28 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 m -164.81 144.47 7.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.981 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.1 -28.09 20.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 95.98 18.19 32.66 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.451 1.094 . . . . 0.0 111.027 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.602 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.2 OUTLIER -160.27 150.95 18.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 0.741 . . . . 0.0 110.97 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -162.17 -159.75 10.49 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.475 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 1.5 m-85 -127.8 143.37 51.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 0.804 . . . . 0.0 111.005 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.501 ' CG1' HD21 ' A' ' 44' ' ' LEU . 21.1 m -124.62 110.58 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.43 HG23 ' O ' ' A' ' 28' ' ' ARG . 12.9 m -96.28 103.39 15.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.352 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.562 ' CE2' ' HA ' ' A' ' 82' ' ' VAL . 28.3 m-85 -68.95 167.77 15.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 111.037 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.4 t -79.49 -49.83 11.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.033 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.55 173.91 6.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 109.991 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.428 ' HA ' ' CG1' ' A' ' 82' ' ' VAL . 0.3 OUTLIER -83.68 -17.74 40.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.984 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.69 -60.87 2.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.607 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 1.3 mt-10 -45.69 -61.68 1.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.108 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.6 HG23 HD22 ' A' ' 30' ' ' LEU . 6.0 p -47.02 -49.37 7.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.411 ' N ' HG13 ' A' ' 82' ' ' VAL . 0.2 OUTLIER -53.06 -33.43 51.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.607 ' HB3' ' O ' ' A' ' 81' ' ' GLU . . . -65.94 -63.33 1.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -43.08 -46.84 5.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.423 ' HG2' HD21 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -51.82 -45.38 63.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -104.38 50.71 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -138.74 30.03 2.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.501 ' CB ' ' HA ' ' A' ' 90' ' ' PRO . 7.4 mtm180 -89.19 160.94 41.8 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.279 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.501 ' HA ' ' CB ' ' A' ' 89' ' ' ARG . 18.4 Cg_endo -74.99 -174.29 13.85 Favored 'Cis proline' 0 C--N 1.359 1.131 0 C-N-CA 120.979 -2.509 . . . . 0.0 111.009 -0.039 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.638 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 23.1 m170 -129.34 124.56 34.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.549 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' A' ' 96' ' ' ARG . 8.8 p -114.9 115.62 27.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 110.032 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.823 HD11 ' CD2' ' A' ' 47' ' ' TYR . 9.4 mt -136.89 142.01 39.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.0 t0 65.47 16.11 10.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.145 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.98 5.44 89.31 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.53 1.143 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.494 ' CZ ' ' HB2' ' A' ' 96' ' ' ARG . 0.1 OUTLIER -113.9 169.64 8.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 0.759 . . . . 0.0 110.257 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.43 ' O ' ' NH2' ' A' ' 96' ' ' ARG . 62.2 t -98.38 98.49 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.51 HG12 ' O ' ' A' ' 34' ' ' GLY . 3.0 m -75.02 -174.74 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -158.52 109.35 1.66 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 155.17 42.82 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.522 1.801 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 21.3 mttp -142.14 160.61 39.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.411 ' C ' ' N ' ' A' ' 104' ' ' VAL . 7.7 mtp180 -97.42 115.92 28.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -44.51 -27.09 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.598 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 3.5 t -109.71 142.13 23.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.598 ' HB3' ' O ' ' A' ' 104' ' ' VAL . . . 77.03 -70.81 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.88 107.03 3.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -137.5 159.94 40.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -163.86 81.31 0.43 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.337 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.52 159.93 0.45 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.981 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 146.35 166.42 12.12 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.425 1.078 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.01 83.5 0.44 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 0.74 . . . . 0.0 109.984 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 170.07 157.14 11.87 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.544 1.153 . . . . 0.0 110.992 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 170.91 19.36 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.784 . . . . 0.0 111.037 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.9 -59.03 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.019 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 96.4 p -84.87 170.9 12.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.042 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.452 1.095 . . . . 0.0 111.013 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.76 153.67 0.55 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 0.763 . . . . 0.0 110.025 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.0 p -179.7 168.33 1.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.018 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.25 147.48 4.82 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.0 169.1 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 0.0 110.006 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.7 p -168.83 167.99 10.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.013 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.56 147.62 8.07 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.433 1.083 . . . . 0.0 111.021 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.9 ptp -166.4 170.68 12.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 0.756 . . . . 0.0 110.957 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -161.98 111.72 1.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -120.82 122.21 39.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.8 t -103.59 154.38 19.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.387 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.13 -63.6 1.27 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -120.76 162.65 19.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.6 m -67.06 142.58 57.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.42 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 24.6 m -68.82 116.93 46.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 135.15 18.68 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.472 1.775 . . . . 0.0 111.014 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.751 ' C ' HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -97.38 160.08 14.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.668 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.2 OUTLIER 176.67 145.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 110.278 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.428 ' HG2' ' HB2' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -144.65 111.97 6.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 110.307 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -139.37 59.92 1.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -145.16 168.91 19.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.96 130.29 9.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.296 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -55.84 -53.91 50.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.41 -25.41 1.04 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -68.12 -66.66 0.54 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.322 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -61.47 -42.47 98.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 110.297 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.9 m-30 -41.67 -51.76 3.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.971 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.3 mtt180 -102.29 47.0 0.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.26 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.814 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 0.2 OUTLIER -129.71 114.66 16.26 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.682 HD22 HG23 ' A' ' 82' ' ' VAL . 5.8 mp -107.95 155.77 19.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.8 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 35.0 t80 -112.84 103.81 11.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 110.979 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.67 HG22 HD21 ' A' ' 35' ' ' LEU . 9.1 mm -77.65 130.6 36.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.1 134.26 8.56 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.449 1.093 . . . . 0.0 111.038 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.774 ' O ' HG12 ' A' ' 98' ' ' VAL . . . 89.93 72.29 1.26 Allowed Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.67 HD21 HG22 ' A' ' 32' ' ' ILE . 5.7 mt -104.81 -1.15 26.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 0.769 . . . . 0.0 109.32 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.539 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 0.3 OUTLIER 65.12 8.98 5.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.981 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.539 ' CG ' ' C ' ' A' ' 36' ' ' SER . 3.2 m-85 74.04 -2.01 2.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 40' ' ' THR . 9.2 mt-10 -98.04 -67.85 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.473 HG22 ' HB2' ' A' ' 44' ' ' LEU . 1.4 m -37.99 97.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.455 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.438 ' N ' ' O ' ' A' ' 38' ' ' GLU . 70.9 p -79.33 -172.51 3.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.407 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.435 ' CG ' HG12 ' A' ' 59' ' ' VAL . 51.6 mt-10 -56.31 -51.27 68.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 110.307 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 43' ' ' SER . 3.9 tt0 -65.22 -67.86 0.41 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 110.321 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 42' ' ' GLU . 13.9 m -37.91 -41.35 0.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.155 . . . . 0.0 109.97 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.659 HD21 ' CG1' ' A' ' 74' ' ' VAL . 1.5 tp -64.76 -63.23 1.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.485 ' CG ' HD12 ' A' ' 54' ' ' LEU . 9.9 mtp180 -47.6 -46.83 28.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 110.262 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -44.09 -27.12 0.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.812 ' CD2' HD11 ' A' ' 93' ' ' ILE . 45.6 t80 -94.47 -45.6 7.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.653 ' CB ' HD11 ' A' ' 54' ' ' LEU . 81.5 m-85 -87.88 23.16 2.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.974 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 45' ' ' ARG . 3.9 mt-10 -99.46 -18.69 17.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 110.279 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -72.24 -58.49 3.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 110.273 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.535 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 6.8 m-90 -54.7 -44.39 73.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 108.012 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -169.63 163.44 36.97 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.01 114.27 24.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 0.747 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.723 HD13 ' CG1' ' A' ' 74' ' ' VAL . 14.9 mt -70.38 106.87 3.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 75' ' ' THR . 3.4 p -56.88 -21.12 27.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.401 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -160.84 126.16 3.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.352 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 30.8 p -127.29 120.0 27.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 108.312 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.8 t -122.13 141.58 41.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.485 HG13 ' O ' ' A' ' 59' ' ' VAL . 13.4 p -124.3 112.9 34.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.303 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.58 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 33.7 mmt -64.3 155.29 32.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.1 mtt85 -140.05 137.71 34.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.317 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.53 126.64 1.83 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -16.41 20.2 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.447 1.761 . . . . 0.0 110.972 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -104.58 -46.21 4.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.83 -31.95 61.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.003 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 58.03 36.26 25.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 28.5 mtt-85 -117.46 -72.63 0.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.563 1.164 . . . . 0.0 110.288 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.9 m -174.94 135.71 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.044 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.5 mtm180 -84.07 -39.83 19.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 106.9 22.66 7.49 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.469 1.106 . . . . 0.0 111.03 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.8 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 0.4 OUTLIER -157.44 151.2 24.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 0.0 110.963 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -158.33 -161.89 11.38 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.4 ' HA ' ' O ' ' A' ' 30' ' ' LEU . 4.6 m-85 -126.39 150.31 48.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 0.763 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.723 ' CG1' HD13 ' A' ' 54' ' ' LEU . 4.1 m -134.62 107.93 9.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 55' ' ' THR . 6.7 m -95.17 100.82 12.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 110.444 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.552 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 22.0 m-85 -67.42 172.86 4.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.1 t -87.81 -40.0 14.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.037 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.83 165.27 15.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 0.0 110.041 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.404 ' HA ' ' CG1' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -80.97 -23.59 38.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.981 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.8 -60.57 2.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.319 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.586 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 22.2 mt-10 -44.78 -60.52 1.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.682 HG23 HD22 ' A' ' 30' ' ' LEU . 6.1 p -47.83 -47.0 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.168 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -54.4 -37.51 65.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.586 ' HB3' ' O ' ' A' ' 81' ' ' GLU . . . -57.98 -66.25 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -40.18 -53.36 2.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.497 ' SD ' ' CD2' ' A' ' 30' ' ' LEU . 95.6 mmm -48.31 -54.01 15.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.425 1.078 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.41 47.59 1.5 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.525 ' O ' ' CD2' ' A' ' 91' ' ' HIS . . . -148.67 57.63 1.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.487 ' HA ' ' C ' ' A' ' 90' ' ' PRO . 11.0 mtm-85 -106.47 155.7 38.32 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 110.313 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.487 ' C ' ' HA ' ' A' ' 89' ' ' ARG . 18.4 Cg_endo -75.0 -167.85 6.0 Favored 'Cis proline' 0 C--N 1.359 1.13 0 C-N-CA 121.056 -2.477 . . . . 0.0 110.993 0.05 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.535 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 0.8 OUTLIER -128.64 115.66 18.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.609 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.496 ' O ' ' CE1' ' A' ' 47' ' ' TYR . 81.1 p -109.47 120.48 42.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.978 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.812 HD11 ' CD2' ' A' ' 47' ' ' TYR . 33.2 mt -137.15 133.39 47.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 56.5 25.68 10.02 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 74.72 25.55 69.48 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.54 1.15 . . . . 0.0 110.972 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.475 ' HG3' ' CB ' ' A' ' 36' ' ' SER . 0.4 OUTLIER -119.42 144.69 46.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 0.772 . . . . 0.0 110.292 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.413 ' O ' HG12 ' A' ' 97' ' ' VAL . 73.4 t -86.19 76.01 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 109.235 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.774 HG12 ' O ' ' A' ' 34' ' ' GLY . 2.4 m -73.9 167.9 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -148.61 112.46 3.69 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.424 ' HG3' ' ND1' ' A' ' 91' ' ' HIS . 18.3 Cg_endo -75.02 157.16 42.84 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.465 1.771 . . . . 0.0 110.975 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -142.29 178.25 7.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.443 ' NH1' ' OE2' ' A' ' 107' ' ' GLU . 5.5 ttt180 -97.66 134.48 40.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.814 ' HB3' ' O ' ' A' ' 29' ' ' LYS . . . -98.93 61.66 1.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.431 HG22 ' HB3' ' A' ' 102' ' ' ARG . 30.2 m -128.31 170.74 17.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.428 ' HB2' ' HG2' ' A' ' 19' ' ' ARG . . . -75.28 -69.71 0.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.64 154.85 42.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.443 ' OE2' ' NH1' ' A' ' 102' ' ' ARG . 0.6 OUTLIER -102.25 154.32 19.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.329 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -172.63 -59.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.239 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -164.74 145.04 7.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.994 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -156.57 133.31 3.59 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.486 1.116 . . . . 0.0 110.952 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.5 t -146.47 157.87 43.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 0.793 . . . . 0.0 110.003 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -113.43 130.41 9.4 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -45.62 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.469 1.773 . . . . 0.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 45.5 m 63.16 124.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 110.065 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 46.7 t -140.27 159.57 41.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.014 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.541 1.151 . . . . 0.0 110.987 -179.972 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.0 t -177.57 117.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 0.76 . . . . 0.0 109.987 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.34 164.31 30.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.0 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.96 -166.12 23.39 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.513 1.133 . . . . 0.0 111.032 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.54 170.25 1.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 0.787 . . . . 0.0 109.946 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 t -168.3 166.9 12.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.027 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.88 142.65 8.19 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.481 1.113 . . . . 0.0 111.039 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -177.97 153.75 0.84 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 0.785 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -132.4 147.9 52.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.309 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -139.67 135.31 33.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.663 ' C ' HD22 ' A' ' 12' ' ' LEU . 2.0 m 62.18 123.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 110.407 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.663 HD22 ' C ' ' A' ' 11' ' ' THR . 2.9 mm? -118.61 174.01 6.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -148.15 -55.93 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 16.8 m 43.79 82.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 110.356 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.63 HG23 ' HD2' ' A' ' 16' ' ' PRO . 3.5 p -156.57 142.34 12.79 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.16 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.63 ' HD2' HG23 ' A' ' 15' ' ' VAL . 18.4 Cg_endo -74.94 144.43 30.48 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.503 1.791 . . . . 0.0 111.03 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -159.36 143.02 14.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.254 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -136.87 90.85 2.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.1 -57.21 3.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.272 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.5 mttp -150.66 102.23 3.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 109.3 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -113.09 155.98 23.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -148.75 146.1 27.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.158 . . . . 0.0 110.278 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.43 ' C ' ' N ' ' A' ' 25' ' ' GLU . 17.1 mt-10 -91.33 -59.35 2.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 110.266 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -41.16 -29.51 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.43 ' N ' ' C ' ' A' ' 23' ' ' GLU . 9.0 mm-40 -83.67 -51.97 6.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.335 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -40.62 -59.99 1.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 110.252 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.426 ' O ' ' NH2' ' A' ' 28' ' ' ARG . 47.3 m-85 -50.53 -43.58 56.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.982 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.606 ' CZ ' ' CE ' ' A' ' 79' ' ' MET . 5.3 mmp_? -100.55 36.9 1.8 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.118 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.689 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 9.0 ttpt -130.75 115.96 17.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.41 ' N ' ' CD1' ' A' ' 30' ' ' LEU . 0.4 OUTLIER -108.09 134.59 50.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.763 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 10.7 t80 -94.33 102.7 14.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 111.012 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.587 HD11 ' CG2' ' A' ' 74' ' ' VAL . 3.4 mm -76.94 134.46 28.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.29 126.64 5.82 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.468 1.105 . . . . 0.0 110.966 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.615 ' O ' HG12 ' A' ' 98' ' ' VAL . . . 90.57 78.02 1.35 Allowed Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.57 HD21 HG22 ' A' ' 32' ' ' ILE . 4.8 mt -104.84 1.14 28.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 0.0 109.304 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.515 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 78.38 -1.34 2.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 0.0 110.047 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.515 ' CG ' ' C ' ' A' ' 36' ' ' SER . 1.2 m-85 75.59 -2.33 2.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 40' ' ' THR . 0.6 OUTLIER -105.99 -63.88 1.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 0.0 110.27 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.684 HG21 HG21 ' A' ' 93' ' ' ILE . 2.2 m -38.37 97.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.357 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.43 ' N ' ' O ' ' A' ' 38' ' ' GLU . 36.7 p -68.33 -174.66 0.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 110.398 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.712 ' CG ' HG12 ' A' ' 59' ' ' VAL . 67.2 mt-10 -57.6 -49.73 75.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 110.294 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 45' ' ' ARG . 4.2 tt0 -65.6 -60.75 2.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.297 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.9 m -43.76 -29.47 0.53 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.016 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.564 HD21 ' CG1' ' A' ' 74' ' ' VAL . 0.4 OUTLIER -80.1 -43.52 21.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.276 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.957 ' HG2' HD12 ' A' ' 54' ' ' LEU . 22.0 mtm180 -62.42 -44.84 95.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -47.48 -27.21 1.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.793 ' CD2' HD11 ' A' ' 93' ' ' ILE . 75.1 t80 -91.53 -47.25 7.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.598 ' CB ' HD11 ' A' ' 54' ' ' LEU . 53.3 m-85 -89.29 26.68 1.59 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.965 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 45' ' ' ARG . 1.6 mt-10 -98.95 -13.7 19.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.459 ' CG ' ' N ' ' A' ' 51' ' ' TRP . 20.6 pt20 -82.92 -47.55 11.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.619 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 5.4 m-90 -65.26 -13.68 58.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 108.019 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 158.36 161.34 10.94 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.435 1.084 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.16 104.05 16.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 0.748 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.957 HD12 ' HG2' ' A' ' 45' ' ' ARG . 26.2 mt -59.08 115.02 2.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.438 ' H ' ' HG1' ' A' ' 55' ' ' THR . 62.4 p -72.14 -29.57 64.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.353 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -145.25 118.07 8.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 30.5 p -122.9 116.55 23.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.565 1.165 . . . . 0.0 108.324 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 8.1 t -123.66 140.86 45.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.16 . . . . 0.0 109.27 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.712 HG12 ' CG ' ' A' ' 41' ' ' GLU . 11.6 p -124.65 116.66 48.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.577 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 34.0 mmt -69.77 141.3 53.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 -133.87 153.56 51.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 110.307 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.443 ' CB ' ' HB2' ' A' ' 65' ' ' SER . 40.3 m-20 -61.65 132.89 93.28 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -20.1 17.25 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.519 1.8 . . . . 0.0 110.977 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -105.19 -43.8 4.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.443 ' HB2' ' CB ' ' A' ' 62' ' ' ASP . 0.1 OUTLIER -73.76 -32.82 64.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.981 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.68 11.89 7.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.3 134.26 55.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.337 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 42.0 m -39.17 132.74 1.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.983 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -72.37 -32.07 66.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 34' ' ' GLY . . . 112.78 25.12 4.67 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.534 1.146 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.763 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -160.08 145.01 14.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 0.738 . . . . 0.0 110.976 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -156.48 -159.05 9.18 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -128.64 149.38 50.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 0.767 . . . . 0.0 110.961 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.638 ' CG1' HD13 ' A' ' 54' ' ' LEU . 3.7 m -134.15 111.8 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 28' ' ' ARG . 3.5 m -96.67 107.96 20.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.105 . . . . 0.0 110.422 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.583 ' CB ' HG12 ' A' ' 82' ' ' VAL . 13.4 m-85 -74.02 172.9 10.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.6 -48.62 6.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.045 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.417 ' CB ' ' HG2' ' A' ' 81' ' ' GLU . 0.1 OUTLIER -96.19 170.65 9.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 110.002 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.606 ' CE ' ' CZ ' ' A' ' 28' ' ' ARG . 0.7 OUTLIER -88.12 -16.12 34.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -90.43 -29.25 18.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.565 ' HB3' ' CD1' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -63.55 -24.78 67.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.583 HG12 ' CB ' ' A' ' 76' ' ' PHE . 2.0 m -91.73 -44.48 14.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.75 -24.04 63.72 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 87' ' ' ALA . . . -74.23 -67.73 0.59 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -41.78 -45.59 3.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.424 ' CE ' ' HG3' ' A' ' 102' ' ' ARG . 0.7 OUTLIER -48.82 -42.8 37.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 110.996 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . -109.43 48.96 0.85 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.554 ' O ' ' CD2' ' A' ' 91' ' ' HIS . . . -133.56 41.98 3.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.479 ' CB ' ' HA ' ' A' ' 90' ' ' PRO . 0.4 OUTLIER -95.99 159.84 31.36 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.129 . . . . 0.0 110.27 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.479 ' HA ' ' CB ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -74.99 -174.89 14.94 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 120.985 -2.506 . . . . 0.0 111.036 -0.035 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.624 ' O ' HG22 ' A' ' 98' ' ' VAL . 6.9 m170 -130.99 114.78 15.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.594 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.449 ' O ' HD13 ' A' ' 93' ' ' ILE . 85.3 p -101.67 125.34 48.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 110.023 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.793 HD11 ' CD2' ' A' ' 47' ' ' TYR . 21.7 mm -133.53 123.25 45.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 22.9 t0 67.53 9.27 6.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 101.7 -14.75 57.54 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.503 1.127 . . . . 0.0 110.961 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 96' ' ' ARG . 0.0 OUTLIER -86.81 166.28 15.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.773 . . . . 0.0 110.287 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 79.1 t -99.6 102.41 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.624 HG22 ' O ' ' A' ' 91' ' ' HIS . 2.7 m -84.12 -174.28 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -158.86 109.3 1.6 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 153.47 41.65 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.509 1.794 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -139.9 172.81 12.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.504 ' HB3' HG22 ' A' ' 104' ' ' VAL . 6.2 mtt180 -100.54 139.4 36.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.338 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.689 ' HB3' ' O ' ' A' ' 29' ' ' LYS . . . -94.68 53.43 1.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.504 HG22 ' HB3' ' A' ' 102' ' ' ARG . 35.4 m -126.18 143.81 38.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 64.51 157.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.1 ptt-85 -145.45 134.19 22.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.157 . . . . 0.0 110.326 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.74 -54.9 0.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -39.85 -60.77 0.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.34 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 32.9 m 54.52 90.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.972 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -179.45 105.36 0.19 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.534 1.146 . . . . 0.0 110.978 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.5 t -163.47 -60.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 0.76 . . . . 0.0 109.993 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 54.97 87.85 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.475 1.109 . . . . 0.0 110.979 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 150.43 38.05 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.51 1.795 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.3 m -47.25 115.45 1.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.956 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 69.5 p -177.11 134.54 0.19 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.024 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 -179.974 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m 63.88 124.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 0.749 . . . . 0.0 110.028 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.0 p -179.23 121.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.002 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.44 67.68 0.17 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.543 1.152 . . . . 0.0 110.983 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.2 p -128.43 110.3 12.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 0.74 . . . . 0.0 109.996 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -131.04 154.77 47.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.965 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.33 161.51 32.61 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.518 1.136 . . . . 0.0 110.967 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.0 mtm 59.26 161.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 0.77 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -152.2 82.64 1.26 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.322 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -147.45 116.27 6.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.2 p -123.51 139.78 53.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.43 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.19 148.5 49.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.236 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -68.5 152.72 44.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 110.268 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.8 t -108.18 140.73 40.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.411 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.6 m -141.75 151.32 59.67 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 169.28 22.98 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.499 1.789 . . . . 0.0 111.046 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -124.65 -63.57 1.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -158.86 156.74 30.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.444 ' HD2' ' HB2' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -104.11 145.9 29.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.322 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.4 mttm -56.69 177.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 0.0 109.308 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.7 -69.22 0.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.5 106.55 0.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 110.307 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.422 ' HB3' ' CE1' ' A' ' 27' ' ' PHE . 2.5 mp0 -56.33 -41.03 75.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.264 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.1 -27.57 33.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -66.68 -68.02 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -59.63 -35.62 74.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.422 ' CE1' ' HB3' ' A' ' 23' ' ' GLU . 2.9 m-30 -52.39 -51.64 57.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 111.051 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.555 ' O ' HG23 ' A' ' 75' ' ' THR . 3.9 mtp180 -105.62 48.04 0.85 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.594 ' HE2' ' HB1' ' A' ' 103' ' ' ALA . 24.1 tttt -138.66 132.26 30.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.452 HD13 ' CG2' ' A' ' 82' ' ' VAL . 6.9 mp -123.42 157.62 33.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.79 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 14.0 t80 -111.76 101.89 10.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.735 HD11 ' CG2' ' A' ' 74' ' ' VAL . 4.1 mm -74.9 135.07 28.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.43 136.88 9.52 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.513 1.133 . . . . 0.0 111.031 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 70' ' ' GLY . . . 82.28 74.65 1.17 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.606 HD21 HG22 ' A' ' 32' ' ' ILE . 9.5 mt -102.66 -0.68 31.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 0.772 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.539 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 6.7 t 68.14 -0.35 2.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.962 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.539 ' CG ' ' C ' ' A' ' 36' ' ' SER . 1.7 m-85 69.09 -1.1 2.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -111.53 24.01 13.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.45 ' CG2' ' HB2' ' A' ' 44' ' ' LEU . 1.1 m -124.17 113.99 19.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.432 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 57.1 p -85.45 157.87 20.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.424 1.078 . . . . 0.0 110.415 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.701 ' CG ' HG12 ' A' ' 59' ' ' VAL . 60.0 mt-10 -41.31 -46.72 3.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.128 . . . . 0.0 110.288 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -63.71 -68.0 0.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.291 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.6 m -40.53 -34.37 0.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.999 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.451 HD21 ' CG1' ' A' ' 74' ' ' VAL . 0.2 OUTLIER -74.49 -57.51 3.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 109.333 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.88 ' HG2' HD12 ' A' ' 54' ' ' LEU . 5.3 mtp180 -48.93 -45.02 41.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 110.332 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -49.77 -26.17 3.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.267 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -87.18 -47.22 9.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 110.993 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.671 ' HB2' HD11 ' A' ' 54' ' ' LEU . 71.7 m-85 -90.93 24.06 2.92 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.5 1.125 . . . . 0.0 110.955 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 45' ' ' ARG . 1.4 mt-10 -99.15 -22.79 15.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.15 . . . . 0.0 110.338 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -76.0 -30.96 58.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 110.274 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.652 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 8.0 m0 -78.62 -43.83 25.38 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -170.91 153.78 21.47 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.543 1.152 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.42 113.36 13.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 0.747 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.88 HD12 ' HG2' ' A' ' 45' ' ' ARG . 19.3 mt -74.31 115.96 14.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.6 p -74.25 -29.93 61.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 110.427 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -143.17 118.48 10.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 8.7 p -128.01 118.55 23.73 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 108.323 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 8.5 t -124.58 140.82 46.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 109.27 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.701 HG12 ' CG ' ' A' ' 41' ' ' GLU . 9.8 p -124.41 120.33 58.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.584 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 35.1 mmt -73.1 150.33 42.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.418 ' HA ' ' N ' ' A' ' 69' ' ' ARG . 34.4 mtt180 -130.55 141.8 50.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.257 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -41.82 139.65 1.57 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -11.05 21.42 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.522 1.801 . . . . 0.0 110.974 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -111.65 -49.81 2.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.05 -44.18 55.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.977 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.22 25.75 5.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -129.99 77.29 1.78 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.405 ' C ' ' HA ' ' A' ' 61' ' ' ARG . 18.2 m 61.56 137.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.978 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -100.7 -23.07 14.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 34' ' ' GLY . . . 106.09 9.06 32.8 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.449 1.093 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.79 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -158.96 149.02 19.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 0.783 . . . . 0.0 110.989 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -156.05 -160.62 10.12 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.537 1.148 . . . . 0.0 110.954 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.575 ' CD2' ' HE3' ' A' ' 29' ' ' LYS . 5.7 m-85 -128.92 147.21 50.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.735 ' CG2' HD11 ' A' ' 32' ' ' ILE . 13.6 m -131.91 121.1 46.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.555 HG23 ' O ' ' A' ' 28' ' ' ARG . 5.4 m -107.48 105.02 14.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 110.395 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.569 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 57.3 m-85 -71.89 179.74 3.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.4 t -90.64 -48.27 7.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.981 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.2 m -117.92 167.98 10.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.107 . . . . 0.0 109.991 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.465 ' HA ' ' CG1' ' A' ' 82' ' ' VAL . 0.2 OUTLIER -80.53 -17.15 52.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.91 -56.12 5.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.509 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 41.8 mt-10 -51.09 -58.66 5.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.276 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.569 ' HB ' ' CD2' ' A' ' 76' ' ' PHE . 7.1 p -52.75 -41.05 37.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.28 -32.77 70.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 81' ' ' GLU . . . -65.78 -57.08 8.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -47.63 -48.62 28.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.2 mtp -49.92 -38.84 38.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -108.58 48.7 0.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.478 ' O ' ' CD2' ' A' ' 91' ' ' HIS . . . -137.62 35.68 2.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.481 ' HA ' ' C ' ' A' ' 90' ' ' PRO . 4.6 mtm-85 -90.94 159.55 39.88 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.318 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.481 ' C ' ' HA ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -75.05 -176.85 18.94 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 120.958 -2.517 . . . . 0.0 111.006 0.009 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.652 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 13.0 m170 -125.75 117.01 22.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.113 . . . . 0.0 109.563 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.4 p -108.26 116.07 31.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.032 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.542 ' HB ' HG11 ' A' ' 98' ' ' VAL . 10.4 mt -137.01 142.83 36.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 38.6 t70 63.46 13.84 7.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 85.68 5.09 84.68 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.495 ' CZ ' ' HB2' ' A' ' 96' ' ' ARG . 0.1 OUTLIER -112.65 168.5 9.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 0.793 . . . . 0.0 110.29 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 66.3 t -97.02 92.81 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.542 HG11 ' HB ' ' A' ' 93' ' ' ILE . 1.5 m -73.84 -175.76 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.405 ' OE1' ' C ' ' A' ' 98' ' ' VAL . 1.7 pm0 -158.35 109.71 1.69 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 110.313 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 153.72 42.1 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.529 1.805 . . . . 0.0 111.054 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.0 mmmt -138.48 166.16 25.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.253 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.403 ' NH1' ' HG2' ' A' ' 107' ' ' GLU . 1.7 ttt180 -91.84 134.87 34.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.594 ' HB1' ' HE2' ' A' ' 29' ' ' LYS . . . -100.88 50.67 0.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 27.4 m -126.74 -176.93 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.444 ' HB2' ' HD2' ' A' ' 19' ' ' ARG . . . -97.02 80.8 3.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 56.78 167.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.34 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.403 ' HG2' ' NH1' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -86.22 89.96 8.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.315 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.9 176.3 8.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 70.37 -71.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.008 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -48.72 -61.1 5.44 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.481 1.113 . . . . 0.0 111.041 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 28.8 p -67.81 114.67 6.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 110.003 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 120.91 -125.99 6.43 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.523 1.14 . . . . 0.0 111.019 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 173.7 14.07 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.573 1.828 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.9 p -156.24 171.98 19.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.99 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.4 m -97.62 165.97 11.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.996 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 -179.965 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.69 166.84 4.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 0.756 . . . . 0.0 110.011 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.4 p -160.72 167.8 26.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 109.971 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.46 -174.78 13.53 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.32 164.28 3.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 0.794 . . . . 0.0 110.027 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.84 168.83 25.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.028 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.14 -157.52 8.09 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.541 1.151 . . . . 0.0 111.013 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.0 mpp? 58.04 93.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 0.767 . . . . 0.0 111.024 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -136.43 165.97 24.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.468 ' HE3' ' CA ' ' A' ' 110' ' ' GLY . 0.0 OUTLIER -55.17 -177.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.0 t -113.29 -42.18 3.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.391 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.8 tp -161.34 146.7 13.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.344 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -146.7 122.65 10.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.9 m -134.35 146.21 49.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.363 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.612 HG23 ' HD2' ' A' ' 16' ' ' PRO . 2.6 p -159.47 140.78 9.43 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.612 ' HD2' HG23 ' A' ' 15' ' ' VAL . 18.0 Cg_endo -75.04 129.3 12.18 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.526 1.803 . . . . 0.0 111.006 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -93.15 179.69 5.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -145.62 -62.38 0.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.326 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.4 mtt180 -39.12 151.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 110.302 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.7 tttt -128.69 112.47 14.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -179.01 -62.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.2 -52.89 2.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.475 ' O ' ' CD1' ' A' ' 27' ' ' PHE . 69.0 mm-40 -50.93 -45.3 60.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.3 -25.65 62.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -69.2 -64.91 0.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.314 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.441 ' CG ' HG12 ' A' ' 104' ' ' VAL . 8.5 pt20 -58.95 -33.77 71.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.475 ' CD1' ' O ' ' A' ' 23' ' ' GLU . 0.7 OUTLIER -49.26 -47.12 46.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 111.029 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -98.33 -22.69 15.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.635 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -86.57 114.68 23.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.432 HD13 ' CG2' ' A' ' 82' ' ' VAL . 9.2 mp -109.43 137.94 46.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.649 ' CE2' ' CD1' ' A' ' 71' ' ' PHE . 29.2 t80 -96.73 110.56 22.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.638 HG22 HD21 ' A' ' 35' ' ' LEU . 8.3 mm -81.5 130.73 35.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.3 132.57 9.39 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 70' ' ' GLY . . . 82.83 74.94 1.18 Allowed Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.638 HD21 HG22 ' A' ' 32' ' ' ILE . 6.8 mt -99.01 0.87 44.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 0.773 . . . . 0.0 109.266 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.531 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 0.2 OUTLIER 71.95 -3.18 2.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 109.987 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.631 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 0.2 OUTLIER 71.21 -1.06 2.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.417 ' CB ' ' OD2' ' A' ' 94' ' ' ASP . 0.3 OUTLIER -116.52 22.16 12.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.575 1.172 . . . . 0.0 110.284 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.8 107.33 13.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.414 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -85.72 176.22 8.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.429 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.492 ' OE2' ' N ' ' A' ' 59' ' ' VAL . 64.3 mm-40 -51.44 -61.15 2.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.254 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -46.91 -45.65 20.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.319 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 75.7 m -64.09 -53.92 42.13 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.48 1.112 . . . . 0.0 109.988 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.714 HD21 ' CG1' ' A' ' 74' ' ' VAL . 1.1 tp -57.56 -39.66 77.18 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.471 ' O ' ' N ' ' A' ' 49' ' ' GLU . 1.3 mtm105 -69.15 -54.7 13.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -45.59 -25.92 0.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.744 ' CE2' HD11 ' A' ' 93' ' ' ILE . 87.3 t80 -88.84 -50.81 5.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.575 ' CB ' HD11 ' A' ' 54' ' ' LEU . 29.9 m-85 -88.58 24.44 1.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 45' ' ' ARG . 2.2 mt-10 -99.36 -24.66 14.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.415 ' CD ' ' O ' ' A' ' 47' ' ' TYR . 1.5 pt20 -74.67 -29.98 61.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.316 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.649 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 7.2 m0 -81.38 -36.1 30.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 108.007 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 178.82 163.38 29.89 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.474 1.108 . . . . 0.0 111.015 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.5 113.16 21.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 0.788 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.575 HD11 ' CB ' ' A' ' 48' ' ' TYR . 18.6 mt -69.98 113.01 6.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.423 ' N ' ' O ' ' A' ' 75' ' ' THR . 18.6 p -74.19 -13.29 60.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.417 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -159.39 115.67 2.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.408 ' SG ' ' OE1' ' A' ' 41' ' ' GLU . 28.4 p -128.04 119.86 26.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 108.28 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.2 t -128.97 129.92 68.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.492 ' N ' ' OE2' ' A' ' 41' ' ' GLU . 6.3 p -116.76 115.04 47.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.575 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 33.5 mmt -68.69 144.21 54.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.98 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -125.47 140.22 52.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 110.28 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.469 ' CB ' ' HB2' ' A' ' 65' ' ' SER . 2.9 m-20 -40.2 145.12 0.5 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -27.72 9.87 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.53 1.805 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -113.39 -49.09 2.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.511 ' O ' ' CG ' ' A' ' 67' ' ' ARG . 0.4 OUTLIER -66.44 -23.21 66.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.976 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.487 ' HG3' ' C ' ' A' ' 65' ' ' SER . 0.0 OUTLIER 35.21 33.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.511 ' CG ' ' O ' ' A' ' 65' ' ' SER . 6.0 mtt180 -121.14 46.32 2.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.6 m 71.28 132.71 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 110.019 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.31 -39.73 24.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.328 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 34' ' ' GLY . . . 114.12 13.49 9.95 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.649 ' CD1' ' CE2' ' A' ' 31' ' ' PHE . 0.5 OUTLIER -156.29 149.77 24.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 0.777 . . . . 0.0 110.997 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -156.37 -158.54 8.9 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.4 ' HA ' ' O ' ' A' ' 30' ' ' LEU . 12.7 m-85 -133.92 145.25 49.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 0.752 . . . . 0.0 111.016 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.714 ' CG1' HD21 ' A' ' 44' ' ' LEU . 16.7 m -133.68 114.63 20.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 55' ' ' THR . 1.8 m -105.29 105.63 15.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.367 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.517 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 40.4 m-85 -69.08 170.29 10.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.969 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.04 -41.63 17.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.952 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.6 160.55 21.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.992 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.404 ' O ' ' CG1' ' A' ' 82' ' ' VAL . 2.4 tpt -76.06 -23.01 55.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 110.974 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.76 -61.87 1.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.461 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 1.2 mp0 -43.07 -61.25 1.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.332 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.517 ' HB ' ' CD2' ' A' ' 76' ' ' PHE . 6.3 p -47.89 -37.96 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -62.47 -36.17 81.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 81' ' ' GLU . . . -60.36 -55.6 31.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.25 -42.58 66.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -55.47 -35.1 65.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -116.68 50.12 1.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -139.35 29.85 2.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.509 ' CB ' ' HA ' ' A' ' 90' ' ' PRO . 10.6 mtm180 -86.63 160.9 49.53 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.308 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.509 ' HA ' ' CB ' ' A' ' 89' ' ' ARG . 18.2 Cg_endo -74.97 178.79 33.12 Favored 'Cis proline' 0 C--N 1.359 1.118 0 C-N-CA 121.011 -2.495 . . . . 0.0 111.025 -0.011 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.649 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 9.7 m170 -121.83 128.82 52.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.56 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.404 ' HA ' ' O ' ' A' ' 96' ' ' ARG . 13.4 p -123.22 120.64 33.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.987 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.744 HD11 ' CE2' ' A' ' 47' ' ' TYR . 7.0 mt -137.06 148.72 26.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.417 ' OD2' ' CB ' ' A' ' 38' ' ' GLU . 4.6 t0 62.91 14.64 7.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.98 11.91 80.53 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.132 . . . . 0.0 110.97 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.508 ' CZ ' ' HB2' ' A' ' 96' ' ' ARG . 0.1 OUTLIER -121.63 168.65 11.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 0.75 . . . . 0.0 110.343 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.406 ' O ' ' NH2' ' A' ' 96' ' ' ARG . 47.8 t -94.77 105.95 17.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.477 HG23 ' N ' ' A' ' 99' ' ' GLU . 1.3 m -92.43 -172.05 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.477 ' N ' HG23 ' A' ' 98' ' ' VAL . 2.0 pm0 -158.43 109.46 1.67 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.411 ' HG3' ' ND1' ' A' ' 91' ' ' HIS . 18.3 Cg_endo -74.98 157.27 42.94 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.548 1.815 . . . . 0.0 111.004 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 11.9 mmtm -136.1 152.51 50.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.68 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 4.3 mtt180 -62.63 -35.71 80.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.256 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.68 ' HB3' ' O ' ' A' ' 102' ' ' ARG . . . 83.5 38.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.578 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 27.2 m -108.28 -47.39 7.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.14 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 104' ' ' VAL . . . 170.86 102.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 47.73 -170.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.298 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -89.93 112.4 23.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.322 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 56.22 98.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.403 ' OG ' ' N ' ' A' ' 110' ' ' GLY . 25.2 p -75.96 -62.91 1.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.003 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.468 ' CA ' ' HE3' ' A' ' 10' ' ' LYS . . . 65.29 106.95 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.462 1.101 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.9 t -168.33 86.82 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 0.79 . . . . 0.0 110.016 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -54.75 120.62 17.77 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.521 1.138 . . . . 0.0 110.945 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 174.01 13.52 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.487 1.783 . . . . 0.0 110.954 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.1 130.91 55.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.033 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 43.4 p -159.6 135.62 8.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.42 1.075 . . . . 0.0 110.001 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 O-C-N 124.491 1.119 . . . . 0.0 111.02 -179.964 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.17 121.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 0.767 . . . . 0.0 109.993 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -171.47 164.01 6.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.022 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.46 -97.54 0.11 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.6 p 60.24 158.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.76 . . . . 0.0 110.035 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -178.89 170.03 1.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 110.01 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.87 143.35 3.66 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.523 1.139 . . . . 0.0 111.003 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.39 150.59 9.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 0.773 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -177.24 131.91 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.34 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.43 178.4 6.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.2 m 55.54 107.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.421 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 178.13 97.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -166.36 170.78 12.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.247 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.7 t -166.32 154.7 10.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.389 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.434 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 1.6 p 177.98 133.19 0.22 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.244 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 15' ' ' VAL . 18.4 Cg_endo -75.01 162.08 37.68 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.497 1.788 . . . . 0.0 111.002 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 mt -113.25 171.43 7.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.29 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -126.13 165.5 18.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.256 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.3 ppt_? -92.55 173.24 7.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 0.0 110.332 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.39 -175.39 4.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.47 151.43 5.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 42.79 86.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.138 . . . . 0.0 110.293 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.574 ' O ' ' CD1' ' A' ' 27' ' ' PHE . 9.5 pt-20 -76.83 -35.34 57.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -29.24 70.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -70.71 -66.86 0.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 110.276 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -53.19 -35.21 59.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.313 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.574 ' CD1' ' O ' ' A' ' 23' ' ' GLU . 3.4 m-30 -51.3 -51.99 49.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.511 ' O ' HG23 ' A' ' 75' ' ' THR . 89.2 mtt180 -107.38 51.42 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.298 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.55 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -138.81 117.11 11.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.627 HD22 HG23 ' A' ' 82' ' ' VAL . 6.3 mp -112.25 162.64 15.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.798 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 33.1 t80 -118.23 101.86 8.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.984 HG21 HD11 ' A' ' 44' ' ' LEU . 15.0 mm -75.64 131.74 34.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -135.22 113.03 1.06 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.673 ' O ' HG12 ' A' ' 98' ' ' VAL . . . 127.19 38.26 0.43 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.775 HD11 HG22 ' A' ' 32' ' ' ILE . 1.3 mp -83.07 7.24 16.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 0.792 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.551 ' O ' ' CG ' ' A' ' 37' ' ' PHE . 0.3 OUTLIER 68.19 -64.43 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.979 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.551 ' CG ' ' O ' ' A' ' 36' ' ' SER . 0.2 OUTLIER 164.0 -27.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 111.033 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.535 ' O ' HG23 ' A' ' 40' ' ' THR . 3.4 tt0 -87.2 -53.12 5.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.348 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.645 ' OG1' HG22 ' A' ' 93' ' ' ILE . 1.2 m -37.91 99.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.391 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.535 HG23 ' O ' ' A' ' 38' ' ' GLU . 81.0 p -84.53 -158.8 0.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.417 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.675 ' CG ' HG12 ' A' ' 59' ' ' VAL . 53.2 mt-10 -67.87 -51.02 53.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.343 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 43' ' ' SER . 23.8 tt0 -63.58 -63.63 1.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.31 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 42' ' ' GLU . 28.8 m -38.63 -42.69 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.009 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.984 HD11 HG21 ' A' ' 32' ' ' ILE . 2.0 tp -70.15 -53.3 17.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.973 ' HG2' HD12 ' A' ' 54' ' ' LEU . 4.6 mtp-105 -53.92 -51.21 64.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.268 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -42.81 -28.08 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.757 ' CD2' HD11 ' A' ' 93' ' ' ILE . 31.8 t80 -94.43 -44.06 8.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.474 ' CB ' HD11 ' A' ' 54' ' ' LEU . 38.2 m-85 -87.26 21.44 2.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 45' ' ' ARG . 3.0 mt-10 -99.71 -43.72 6.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -49.55 -45.5 47.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.248 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.824 ' CZ2' ' HB1' ' A' ' 88' ' ' ALA . 3.8 m-90 -65.1 -45.46 85.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 107.981 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -174.2 153.34 16.5 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.41 120.28 22.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 0.779 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.973 HD12 ' HG2' ' A' ' 45' ' ' ARG . 7.5 mt -78.23 112.54 15.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 75' ' ' THR . 13.6 p -53.53 -26.43 21.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.402 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -161.06 134.21 6.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.431 ' SG ' HD23 ' A' ' 44' ' ' LEU . 35.5 t -128.39 122.41 31.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 108.33 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.4 t -119.16 137.46 53.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.675 HG12 ' CG ' ' A' ' 41' ' ' GLU . 10.4 p -124.75 113.72 37.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.575 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 35.5 mmt -64.07 146.72 53.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 111.026 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.407 ' HA ' ' N ' ' A' ' 69' ' ' ARG . 31.4 mtp180 -130.19 133.78 46.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.419 ' N ' ' HG2' ' A' ' 69' ' ' ARG . 44.0 m-20 -47.1 132.53 9.15 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.235 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -9.11 20.62 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.47 1.774 . . . . 0.0 110.991 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -108.81 -48.37 3.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 m -79.47 -43.91 22.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.006 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.5 mttp 67.92 28.61 6.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.8 mtp180 -126.89 56.96 1.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.272 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.6 m 63.64 131.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 110.037 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.419 ' HG2' ' N ' ' A' ' 62' ' ' ASP . 2.3 mtm180 -80.4 -18.3 49.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 98.1 14.89 37.69 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.798 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 1.8 p90 -160.78 154.14 21.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 0.782 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -161.7 -160.66 11.08 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.532 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 0.5 OUTLIER -127.94 148.92 50.52 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 0.774 . . . . 0.0 111.02 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.605 ' CG1' HD21 ' A' ' 44' ' ' LEU . 18.9 m -128.54 118.4 47.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.511 HG23 ' O ' ' A' ' 28' ' ' ARG . 2.8 m -102.76 100.02 10.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 110.424 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.542 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 11.2 m-85 -68.99 168.97 12.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 111.028 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.21 -51.69 8.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 110.017 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.47 172.16 7.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.982 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.41 ' HA ' ' CG1' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -82.52 -21.87 35.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.979 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.16 -64.13 0.93 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.535 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 2.5 mt-10 -41.93 -62.46 0.91 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.627 HG23 HD22 ' A' ' 30' ' ' LEU . 6.4 p -48.97 -48.83 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.85 -32.61 45.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.535 ' HB3' ' O ' ' A' ' 81' ' ' GLU . . . -70.85 -50.27 37.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.355 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -54.33 -48.4 71.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.325 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.473 ' HG2' HD21 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -48.2 -41.15 26.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 0.0 111.025 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -109.44 50.29 0.79 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.824 ' HB1' ' CZ2' ' A' ' 51' ' ' TRP . . . -131.91 30.08 4.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.497 ' CB ' ' HA ' ' A' ' 90' ' ' PRO . 4.2 mtm180 -89.45 161.15 40.49 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.339 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.497 ' HA ' ' CB ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -75.03 177.58 38.46 Favored 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 120.976 -2.51 . . . . 0.0 111.012 0.025 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.58 ' CD2' ' O ' ' A' ' 88' ' ' ALA . 22.1 m170 -124.57 132.5 53.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.601 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.804 ' O ' HD13 ' A' ' 93' ' ' ILE . 13.9 p -121.2 116.42 24.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.985 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.804 HD13 ' O ' ' A' ' 92' ' ' SER . 5.3 mm -130.7 146.17 34.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 22.7 t70 59.28 16.28 4.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 78.94 24.25 62.29 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.453 1.095 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.401 ' HD2' ' O ' ' A' ' 34' ' ' GLY . 0.0 OUTLIER -132.45 159.93 37.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 0.78 . . . . 0.0 110.3 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 74.6 t -84.35 107.89 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.673 HG12 ' O ' ' A' ' 34' ' ' GLY . 1.1 m -92.88 -168.45 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.588 ' N ' HG23 ' A' ' 98' ' ' VAL . 1.7 mt-10 -157.6 108.97 1.82 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.105 . . . . 0.0 110.271 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.446 ' HG3' ' ND1' ' A' ' 91' ' ' HIS . 18.4 Cg_endo -75.0 141.12 26.25 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.432 1.754 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -134.17 177.67 7.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.413 ' HB3' HG22 ' A' ' 104' ' ' VAL . 3.9 mtp180 -101.58 164.32 11.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 29' ' ' LYS . . . -122.38 56.51 1.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.413 HG22 ' HB3' ' A' ' 102' ' ' ARG . 18.9 m -127.13 160.02 36.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 62.76 108.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.331 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.43 154.04 45.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -121.27 155.36 34.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.272 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -175.89 147.45 0.78 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 110.269 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -158.84 170.26 22.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 110.004 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 158.59 98.6 0.14 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 24.2 p -150.42 150.65 31.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 0.779 . . . . 0.0 110.004 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 161.45 77.58 0.03 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 177.82 8.07 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.493 1.786 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 36.2 p -177.84 156.77 1.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.997 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.92 -59.01 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 0.0 110.01 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 179.984 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.8 m -157.88 161.6 38.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 0.745 . . . . 0.0 109.982 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.9 t -153.57 152.4 30.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 109.96 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.19 -102.45 0.18 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.6 t 61.21 112.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 0.781 . . . . 0.0 110.013 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.4 p -151.3 146.74 26.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.019 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.6 177.97 40.45 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.491 1.119 . . . . 0.0 110.989 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -150.06 -55.64 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.756 . . . . 0.0 111.021 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 63.24 106.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 110.316 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.08 135.08 48.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 70.0 p -134.68 132.84 39.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 0.0 110.426 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.61 173.72 11.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -84.04 137.08 33.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.327 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.0 m -94.79 112.3 24.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.382 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 32.6 m -138.26 153.73 73.28 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -47.37 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.554 1.818 . . . . 0.0 111.003 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.7 tt 72.0 -68.88 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.42 137.23 15.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.547 1.154 . . . . 0.0 110.283 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.38 66.04 9.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.0 mptt 56.54 79.77 0.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -136.75 116.99 13.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.0 mtm180 42.13 78.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.306 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -92.72 -53.88 3.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.577 1.173 . . . . 0.0 110.328 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -32.66 69.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -66.63 -57.62 6.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 110.293 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -65.6 -10.08 32.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.4 ' O ' ' CE ' ' A' ' 79' ' ' MET . 1.2 m-85 -82.44 -40.58 20.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.4 mtp85 -101.76 -8.24 21.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.277 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.571 ' HE2' ' CD1' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -86.06 114.86 23.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.773 HD22 HG23 ' A' ' 82' ' ' VAL . 1.1 mp -100.73 141.37 33.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.675 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 23.3 t80 -100.11 108.51 20.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 111.005 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.472 HG22 HD21 ' A' ' 35' ' ' LEU . 7.1 mm -87.05 129.43 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.5 128.03 6.0 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.464 1.102 . . . . 0.0 110.958 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.727 ' O ' HG12 ' A' ' 98' ' ' VAL . . . 102.41 68.83 0.81 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.551 HD13 HG22 ' A' ' 39' ' ' THR . 12.2 mt -107.7 0.89 22.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 0.763 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.537 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 2.0 t 63.28 10.5 4.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.984 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.537 ' CG ' ' C ' ' A' ' 36' ' ' SER . 3.1 m-85 74.62 -2.16 2.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 39' ' ' THR . 0.9 OUTLIER -94.83 -70.48 0.71 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.551 HG22 HD13 ' A' ' 35' ' ' LEU . 0.9 OUTLIER -36.69 99.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.423 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 38' ' ' GLU . 37.6 p -78.63 -166.91 0.95 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 110.444 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.432 ' CG ' HG12 ' A' ' 59' ' ' VAL . 43.9 mt-10 -61.52 -55.04 35.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 45' ' ' ARG . 2.9 mt-10 -59.24 -63.75 1.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.1 m -39.77 -49.42 2.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 110.016 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.775 HD21 ' CG1' ' A' ' 74' ' ' VAL . 4.9 tp -59.83 -44.9 93.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.481 ' O ' ' N ' ' A' ' 49' ' ' GLU . 5.1 mtm180 -62.63 -58.18 8.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -42.35 -28.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.698 ' CD2' HD11 ' A' ' 93' ' ' ILE . 75.2 t80 -91.45 -47.4 7.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.653 ' CB ' HD11 ' A' ' 54' ' ' LEU . 20.5 m-85 -87.95 23.54 2.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 45' ' ' ARG . 1.8 mt-10 -99.52 -16.22 18.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -71.12 -61.13 1.88 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.657 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 13.6 m-90 -49.79 -45.3 49.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 107.98 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -170.78 170.43 43.15 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.55 1.156 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.15 120.65 29.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 0.77 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.653 HD11 ' CB ' ' A' ' 48' ' ' TYR . 14.5 mt -77.28 116.04 17.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 75' ' ' THR . 33.9 p -74.01 -18.94 60.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.41 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -155.31 119.06 4.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 29.0 p -125.45 117.3 23.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 108.304 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.8 t -126.77 141.04 47.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.473 HG13 ' O ' ' A' ' 59' ' ' VAL . 14.8 p -123.88 113.02 35.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.572 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 34.9 mmt -64.75 152.89 41.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.412 ' HA ' ' N ' ' A' ' 69' ' ' ARG . 33.9 mtt180 -140.1 159.18 42.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.467 ' CB ' ' HB2' ' A' ' 65' ' ' SER . 38.4 m-20 -67.06 128.08 93.72 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -20.66 16.53 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.479 1.778 . . . . 0.0 110.993 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -95.55 -43.26 8.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.467 ' HB2' ' CB ' ' A' ' 62' ' ' ASP . 0.3 OUTLIER -77.38 -44.87 27.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.007 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 76.32 32.57 0.58 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.4 mtt85 -115.08 -87.6 0.59 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.535 1.147 . . . . 0.0 110.26 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.69 149.36 20.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.0 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.412 ' N ' ' HA ' ' A' ' 61' ' ' ARG . 0.7 OUTLIER -91.52 -27.7 18.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.323 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.94 16.21 36.6 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.675 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 1.1 p90 -156.98 153.44 28.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 0.746 . . . . 0.0 110.962 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -160.6 -164.47 15.63 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.468 1.105 . . . . 0.0 110.988 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.571 ' CD1' ' HE2' ' A' ' 29' ' ' LYS . 4.5 m-85 -123.94 154.98 38.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 0.739 . . . . 0.0 111.025 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.775 ' CG1' HD21 ' A' ' 44' ' ' LEU . 18.1 m -144.28 108.07 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 55' ' ' THR . 3.2 m -94.58 106.74 18.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.385 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.529 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 24.5 m-85 -73.07 172.27 11.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.57 -34.32 27.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.005 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.56 171.9 10.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.03 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.48 ' HA ' ' CG1' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -88.1 -28.51 21.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.955 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.51 -63.81 1.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.643 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 0.5 OUTLIER -43.52 -61.91 1.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.085 . . . . 0.0 110.29 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.773 HG23 HD22 ' A' ' 30' ' ' LEU . 7.6 p -51.13 -47.36 32.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.15 -26.88 52.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.643 ' HB3' ' O ' ' A' ' 81' ' ' GLU . . . -71.3 -61.1 1.89 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -42.66 -45.52 4.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.607 ' CG ' HD21 ' A' ' 30' ' ' LEU . 5.3 mtp -50.74 -50.51 55.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -96.93 50.32 1.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.432 1.083 . . . . 0.0 109.28 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -141.23 41.67 1.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.516 ' NE ' ' HA ' ' A' ' 90' ' ' PRO . 5.7 mtp180 -92.1 156.67 41.93 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.516 ' HA ' ' NE ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -75.0 -173.69 12.78 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 120.986 -2.506 . . . . 0.0 110.968 0.01 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.657 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 0.4 OUTLIER -128.53 112.69 14.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.597 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.47 ' HA ' ' O ' ' A' ' 96' ' ' ARG . 94.2 p -106.78 121.97 45.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.037 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.698 HD11 ' CD2' ' A' ' 47' ' ' TYR . 53.6 mt -133.1 125.21 51.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.8 t70 60.49 16.17 6.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.25 16.73 56.99 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.47 1.106 . . . . 0.0 110.976 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.491 ' HG3' ' CB ' ' A' ' 36' ' ' SER . 0.1 OUTLIER -109.73 140.51 43.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 0.779 . . . . 0.0 110.324 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 84.8 t -84.19 75.98 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.727 HG12 ' O ' ' A' ' 34' ' ' GLY . 2.5 m -72.9 160.39 5.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.475 ' HG3' ' CZ ' ' A' ' 89' ' ' ARG . 2.7 mt-10 -133.19 108.62 12.5 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.424 ' HG3' ' ND1' ' A' ' 91' ' ' HIS . 18.2 Cg_endo -74.96 150.34 38.21 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.529 1.805 . . . . 0.0 110.971 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp -135.4 145.62 47.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.996 ' NE ' ' HB2' ' A' ' 105' ' ' ALA . 7.3 ptp180 -66.42 -9.0 29.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.681 ' HB3' ' O ' ' A' ' 102' ' ' ARG . . . 84.27 -59.5 0.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.502 HG12 ' N ' ' A' ' 105' ' ' ALA . 96.7 t -61.93 -100.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.996 ' HB2' ' NE ' ' A' ' 102' ' ' ARG . . . 50.65 -176.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 4.9 ptt85 -51.04 152.2 2.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.308 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -55.61 150.98 11.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.309 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 110' ' ' GLY . 9.8 tt0 -141.94 126.95 18.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 27.3 t 62.24 -82.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 110.029 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 108' ' ' GLU . . . 155.38 -158.99 28.85 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.116 . . . . 0.0 110.986 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 52.6 p -154.9 -167.21 2.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 110.045 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -127.36 100.92 0.56 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.456 1.097 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 138.56 23.32 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.501 1.79 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.09 96.03 4.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.994 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.8 t -94.06 145.26 24.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.045 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.488 1.118 . . . . 0.0 110.979 -179.956 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.9 p 58.58 112.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 110.0 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.6 t -177.56 124.87 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.035 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.53 -59.32 0.57 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.478 1.111 . . . . 0.0 111.01 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 m -56.53 -58.4 8.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 0.759 . . . . 0.0 110.032 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 t -46.83 147.54 1.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 110.018 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.59 -157.77 7.29 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.469 1.106 . . . . 0.0 111.027 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.5 159.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 0.0 110.971 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -173.81 -59.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.256 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.8 mttt -116.63 150.48 38.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.339 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.9 t -86.82 49.27 1.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 110.428 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.9 tp -161.34 89.53 0.77 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -84.76 58.32 4.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 110.274 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 58.2 p -131.11 86.87 2.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.404 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.5 m -70.25 155.42 93.47 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 159.8 40.81 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.501 1.79 . . . . 0.0 111.019 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 pp -125.36 126.55 45.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -164.72 76.48 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.268 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.1 ttt180 -178.2 168.32 1.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.26 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.17 63.81 0.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 22' ' ' ARG . 0.9 OUTLIER -129.64 113.86 15.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 21' ' ' LYS . 1.2 mpt_? 38.96 83.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.47 ' O ' ' CD1' ' A' ' 27' ' ' PHE . 1.7 mt-10 -93.74 -58.22 2.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.287 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.21 -21.63 62.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -77.81 -64.71 1.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -57.58 -18.84 21.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 110.327 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.47 ' CD1' ' O ' ' A' ' 23' ' ' GLU . 1.8 m-85 -70.87 -43.84 67.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.55 -10.73 26.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.264 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.493 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 13.3 tttt -93.4 114.68 27.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.457 HD21 ' HG2' ' A' ' 86' ' ' MET . 8.3 mp -104.87 165.59 10.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.646 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 18.9 t80 -120.24 110.6 16.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 111.032 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.869 HG21 HD11 ' A' ' 44' ' ' LEU . 10.2 mm -82.87 126.03 40.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.36 118.35 2.78 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.893 ' O ' HG12 ' A' ' 98' ' ' VAL . . . 121.72 33.15 0.95 Allowed Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.657 HD11 HG22 ' A' ' 32' ' ' ILE . 2.1 mp -76.67 -1.36 27.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 0.786 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.566 ' O ' ' CD2' ' A' ' 37' ' ' PHE . 3.3 t 57.7 15.38 2.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.097 . . . . 0.0 110.0 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.566 ' CD2' ' O ' ' A' ' 36' ' ' SER . 4.1 m-85 74.83 -2.26 2.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.504 ' O ' HG23 ' A' ' 40' ' ' THR . 0.8 OUTLIER -97.13 -67.93 0.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.456 ' CG2' ' HB2' ' A' ' 44' ' ' LEU . 1.0 OUTLIER -37.86 96.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.399 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.504 HG23 ' O ' ' A' ' 38' ' ' GLU . 33.2 p -78.67 -167.23 1.04 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 110.421 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.658 ' CG ' HG12 ' A' ' 59' ' ' VAL . 22.3 mt-10 -59.09 -54.57 45.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.345 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 43' ' ' SER . 6.2 tt0 -62.85 -64.82 0.8 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 42' ' ' GLU . 16.4 m -38.0 -48.17 1.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 109.953 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.869 HD11 HG21 ' A' ' 32' ' ' ILE . 4.7 tp -60.26 -53.08 61.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.679 ' HG2' HD12 ' A' ' 54' ' ' LEU . 80.5 mtm180 -57.59 -48.77 78.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.33 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -45.07 -28.42 0.71 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.148 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.691 ' CD2' ' CD1' ' A' ' 93' ' ' ILE . 65.1 t80 -94.38 -44.65 7.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.85 ' CZ ' HD12 ' A' ' 32' ' ' ILE . 36.4 m-85 -86.94 22.14 2.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 45' ' ' ARG . 2.9 mt-10 -99.44 -31.87 11.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 0.0 110.311 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.411 ' HG2' ' N ' ' A' ' 51' ' ' TRP . 1.6 pt20 -64.82 -30.99 72.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.249 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.678 ' CZ3' ' CE1' ' A' ' 91' ' ' HIS . 8.3 m0 -79.8 -42.81 23.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 107.997 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.08 160.87 29.95 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.55 1.156 . . . . 0.0 111.002 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.12 116.35 22.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 0.799 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.716 HD13 ' CG1' ' A' ' 74' ' ' VAL . 14.8 mt -76.89 102.34 6.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.407 ' N ' ' O ' ' A' ' 75' ' ' THR . 26.1 p -64.52 -13.15 51.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.389 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -153.45 111.15 3.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.578 ' SG ' HD23 ' A' ' 44' ' ' LEU . 46.0 t -126.31 120.43 29.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 108.308 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 12.2 t -128.76 143.66 40.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.658 HG12 ' CG ' ' A' ' 41' ' ' GLU . 13.9 p -124.44 112.69 33.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.264 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.578 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 34.9 mmt -66.88 150.54 49.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.98 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.43 ' HA ' ' N ' ' A' ' 69' ' ' ARG . 20.0 mtt180 -140.34 128.2 21.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 110.263 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.495 ' CB ' ' HB2' ' A' ' 65' ' ' SER . 29.4 m-20 -40.15 120.16 1.52 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.16 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -18.24 18.72 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.47 1.774 . . . . 0.0 110.972 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -94.66 -46.67 6.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.495 ' HB2' ' CB ' ' A' ' 62' ' ' ASP . 4.0 m -80.46 -48.5 12.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.996 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 62' ' ' ASP . 0.7 OUTLIER 76.46 31.99 0.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 0.0 109.243 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 68' ' ' SER . 9.3 mtp-105 -129.35 49.69 2.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.262 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 67' ' ' ARG . 18.6 m 60.72 145.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 110.005 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.454 ' NE ' ' OD1' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -92.66 -28.95 16.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.291 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 98.34 21.72 16.61 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.646 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -160.94 151.63 18.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 0.788 . . . . 0.0 110.976 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -154.74 -160.44 9.87 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.486 1.117 . . . . 0.0 110.978 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.414 ' HA ' ' O ' ' A' ' 30' ' ' LEU . 9.9 m-85 -131.47 148.23 52.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.774 . . . . 0.0 110.981 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.716 ' CG1' HD13 ' A' ' 54' ' ' LEU . 21.8 m -130.25 120.88 50.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.255 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 55' ' ' THR . 6.9 m -107.04 98.13 7.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.367 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.549 ' CD1' ' HB ' ' A' ' 82' ' ' VAL . 65.2 m-85 -65.44 167.88 8.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 111.059 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.5 t -83.14 -46.82 12.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.3 p -115.05 164.23 14.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.043 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.408 ' HA ' ' CG1' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -77.18 -25.06 51.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.09 . . . . 0.0 111.002 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.1 -65.58 0.66 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 109.261 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.706 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 81.3 mt-10 -40.79 -62.48 0.79 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.549 ' HB ' ' CD1' ' A' ' 76' ' ' PHE . 7.6 p -48.75 -51.18 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.444 ' N ' HG13 ' A' ' 82' ' ' VAL . 0.4 OUTLIER -51.82 -27.67 13.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.706 ' HB3' ' O ' ' A' ' 81' ' ' GLU . . . -68.87 -65.75 0.66 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.402 ' HB1' ' HE1' ' A' ' 91' ' ' HIS . . . -45.01 -42.85 8.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.457 ' HG2' HD21 ' A' ' 30' ' ' LEU . 1.2 mtp -52.15 -45.36 64.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 110.978 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -105.8 51.31 0.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -142.82 30.08 1.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.482 ' HA ' ' C ' ' A' ' 90' ' ' PRO . 2.3 mtm180 -84.54 159.18 59.02 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.469 1.106 . . . . 0.0 110.272 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.482 ' C ' ' HA ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -75.0 -178.6 23.95 Favored 'Cis proline' 0 C--N 1.361 1.184 0 C-N-CA 121.023 -2.49 . . . . 0.0 110.967 0.033 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.678 ' CE1' ' CZ3' ' A' ' 51' ' ' TRP . 8.0 m170 -118.47 118.83 32.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.601 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.601 ' O ' ' CE1' ' A' ' 47' ' ' TYR . 79.5 p -109.75 117.58 34.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.015 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.691 ' CD1' ' CD2' ' A' ' 47' ' ' TYR . 7.2 mt -137.24 134.22 47.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 57.03 25.74 11.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 74.43 23.44 75.52 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.57 1.169 . . . . 0.0 111.025 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.468 ' HG3' ' CB ' ' A' ' 36' ' ' SER . 0.0 OUTLIER -117.4 144.95 44.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 0.783 . . . . 0.0 110.333 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.407 ' O ' HG12 ' A' ' 97' ' ' VAL . 83.6 t -86.37 74.77 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.893 HG12 ' O ' ' A' ' 34' ' ' GLY . 1.7 m -72.68 168.55 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.406 ' HB3' ' NH1' ' A' ' 89' ' ' ARG . 2.7 pt-20 -151.06 113.81 3.11 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.429 ' HG3' ' ND1' ' A' ' 91' ' ' HIS . 18.3 Cg_endo -75.06 162.94 36.17 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.532 1.806 . . . . 0.0 110.964 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -139.9 155.7 47.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.514 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 3.2 mtt180 -57.65 -35.92 71.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.566 1.166 . . . . 0.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 102' ' ' ARG . . . 72.58 52.9 0.16 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.1 . . . . 0.0 109.345 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 31.0 m -118.43 171.93 6.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 109.273 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.94 83.64 6.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.76 138.97 52.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.342 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 49.57 83.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -140.84 168.95 18.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 110.331 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.0 110.66 7.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 109.991 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -153.91 118.68 0.88 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.7 m -68.28 -58.78 3.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.759 . . . . 0.0 110.015 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 62.2 -177.07 5.81 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.515 1.135 . . . . 0.0 110.987 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 146.9 33.21 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.502 1.79 . . . . 0.0 110.977 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.0 t -132.67 146.05 51.56 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.44 1.088 . . . . 0.0 109.997 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.6 t -133.86 161.34 35.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.0 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.945 0 O-C-N 124.45 1.094 . . . . 0.0 111.014 179.976 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.38 157.66 4.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 0.74 . . . . 0.0 109.991 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.2 p -168.46 166.3 12.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.974 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.73 -142.29 5.74 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.457 1.098 . . . . 0.0 111.011 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.54 159.04 0.86 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 0.787 . . . . 0.0 109.983 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -128.36 168.28 15.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.964 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.52 120.99 1.18 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.441 ' N ' ' SD ' ' A' ' 8' ' ' MET . 0.3 OUTLIER -173.46 158.8 3.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 0.745 . . . . 0.0 111.037 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 179.68 -43.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 110.322 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 63.81 142.33 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.9 t -140.84 63.44 1.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.386 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.7 mt -156.78 129.15 7.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.21 -65.83 1.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 60.41 104.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 110.402 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 23.7 m -43.6 142.39 1.85 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 164.97 32.3 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.524 1.802 . . . . 0.0 110.996 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 mt -140.33 159.48 42.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.259 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -152.35 168.37 25.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -179.79 87.68 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -130.27 171.05 13.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.44 -55.59 1.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.61 104.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 110.29 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -94.79 -6.24 43.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.305 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.91 -22.83 33.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.315 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 29' ' ' LYS . 6.0 mt-10 -85.06 -55.16 4.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.343 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.457 ' CG ' HG12 ' A' ' 104' ' ' VAL . 21.3 tt0 -38.61 -29.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 110.284 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.488 ' O ' ' CE ' ' A' ' 79' ' ' MET . 1.8 m-30 -52.24 -53.65 41.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.706 ' HG3' HG22 ' A' ' 75' ' ' THR . 0.1 OUTLIER -116.04 5.29 13.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.536 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -89.31 113.42 24.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.64 HD21 ' SD ' ' A' ' 86' ' ' MET . 6.1 mp -103.97 140.48 37.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.756 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 17.2 t80 -98.38 112.26 24.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 111.031 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.604 HG21 HD11 ' A' ' 44' ' ' LEU . 9.5 mm -83.94 135.95 23.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.82 149.96 18.39 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.441 1.088 . . . . 0.0 111.022 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.573 ' O ' HG12 ' A' ' 98' ' ' VAL . . . 60.37 84.1 0.05 OUTLIER Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.046 -0.821 . . . . 0.0 111.046 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.602 HD21 HG22 ' A' ' 32' ' ' ILE . 7.3 mt -104.26 0.96 29.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 0.782 . . . . 0.0 109.261 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.554 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 0.5 OUTLIER 74.63 1.8 3.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.973 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.554 ' CG ' ' C ' ' A' ' 36' ' ' SER . 2.8 m-85 75.54 -2.3 2.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.1 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 39' ' ' THR . 52.9 mt-10 -108.14 -59.77 1.81 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 38' ' ' GLU . 1.8 m -36.44 100.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.389 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 69.8 p -78.06 -165.64 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.377 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -63.79 -51.0 66.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 110.323 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.449 ' C ' ' N ' ' A' ' 44' ' ' LEU . 49.2 tt0 -64.42 -64.46 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 42' ' ' GLU . 14.8 m -38.93 -30.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.032 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.604 HD11 HG21 ' A' ' 32' ' ' ILE . 11.0 tp -79.87 -62.43 1.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.477 ' HG2' HD12 ' A' ' 54' ' ' LEU . 4.3 mtp180 -50.23 -42.34 51.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.273 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -47.14 -30.31 2.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.351 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.738 ' CD2' HD11 ' A' ' 93' ' ' ILE . 83.3 t80 -94.05 -42.09 9.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 111.036 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.531 ' CZ ' HD12 ' A' ' 32' ' ' ILE . 37.4 m-85 -87.55 21.66 2.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.957 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 45' ' ' ARG . 2.1 mt-10 -99.0 -31.24 11.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.15 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.408 ' CD ' ' O ' ' A' ' 47' ' ' TYR . 1.1 pt20 -63.92 -34.99 79.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 110.344 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.65 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 5.6 m-90 -77.25 -45.77 25.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 107.986 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -171.81 160.88 32.83 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.141 . . . . 0.0 110.999 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.28 118.0 23.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.572 HD13 ' CG1' ' A' ' 74' ' ' VAL . 14.0 mt -74.8 99.32 3.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 75' ' ' THR . 69.9 p -45.52 -26.36 0.57 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.093 . . . . 0.0 110.433 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -160.87 132.23 5.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.34 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 6.4 t -128.46 131.76 48.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 108.322 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.9 t -133.99 139.86 47.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.549 HG23 HD12 ' A' ' 35' ' ' LEU . 10.3 p -122.99 112.55 34.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.57 ' HG3' ' CE1' ' A' ' 71' ' ' PHE . 32.3 mmt -65.8 153.45 41.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.407 ' HA ' ' N ' ' A' ' 69' ' ' ARG . 10.8 mtt180 -140.19 142.64 35.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 110.269 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -40.3 125.34 1.74 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 0.0 109.268 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -15.74 20.65 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.498 1.788 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -102.65 -43.4 5.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.7 -31.12 41.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 110.034 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.35 42.15 15.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.082 . . . . 0.0 109.256 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 45.6 mtt-85 -123.68 -79.25 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 110.275 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.2 p -159.44 144.01 15.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.998 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.407 ' N ' ' HA ' ' A' ' 61' ' ' ARG . 2.1 mtm180 -94.32 -40.39 9.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.31 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 109.14 19.52 8.45 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.458 1.098 . . . . 0.0 110.996 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.756 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 1.1 p90 -160.35 151.41 19.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 0.743 . . . . 0.0 111.012 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -155.67 -158.74 8.95 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.512 1.132 . . . . 0.0 111.042 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.408 ' HA ' ' O ' ' A' ' 30' ' ' LEU . 7.3 m-85 -131.77 151.72 51.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 0.749 . . . . 0.0 111.016 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.572 ' CG1' HD13 ' A' ' 54' ' ' LEU . 15.9 m -140.62 111.75 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.706 HG22 ' HG3' ' A' ' 28' ' ' ARG . 4.3 m -100.16 112.9 25.22 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.106 . . . . 0.0 110.387 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -78.86 167.2 21.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 110.977 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.39 -39.97 18.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.023 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.2 t -115.55 156.66 25.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.027 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.488 ' CE ' ' O ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -82.75 -11.43 58.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 111.011 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -80.22 -46.0 17.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.127 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.654 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 18.7 mt-10 -60.44 -52.49 65.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.273 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.639 HG23 HD22 ' A' ' 30' ' ' LEU . 7.4 p -53.57 -51.57 41.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.46 ' N ' HG13 ' A' ' 82' ' ' VAL . 0.2 OUTLIER -51.0 -32.21 20.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.654 ' HB3' ' O ' ' A' ' 81' ' ' GLU . . . -64.64 -64.99 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -41.85 -47.66 4.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.26 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.64 ' SD ' HD21 ' A' ' 30' ' ' LEU . 93.0 mmm -49.76 -54.4 19.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 111.023 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -92.97 50.59 1.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -144.13 37.48 1.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.489 ' CB ' ' HA ' ' A' ' 90' ' ' PRO . 2.0 mtm180 -90.22 160.7 39.41 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.283 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.489 ' HA ' ' CB ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -75.02 -177.13 19.64 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.985 -2.506 . . . . 0.0 111.018 0.053 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.65 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 3.8 m170 -121.56 110.16 15.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.593 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.704 ' O ' HD13 ' A' ' 93' ' ' ILE . 94.1 p -101.56 126.2 48.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.967 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.738 HD11 ' CD2' ' A' ' 47' ' ' TYR . 10.7 mm -131.91 120.67 45.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.58 15.17 5.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 93.95 14.28 52.51 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.51 ' O ' ' HA ' ' A' ' 92' ' ' SER . 0.6 OUTLIER -105.98 139.74 40.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 0.761 . . . . 0.0 110.313 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 89.3 t -84.63 76.72 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.337 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.644 HG22 ' O ' ' A' ' 91' ' ' HIS . 1.8 m -71.9 165.0 3.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 109.32 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -134.35 108.16 11.23 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.261 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.431 ' HG3' ' ND1' ' A' ' 91' ' ' HIS . 18.3 Cg_endo -75.02 157.57 42.61 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.55 1.816 . . . . 0.0 111.026 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -143.56 156.95 44.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.691 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -68.7 -34.34 75.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.261 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.691 ' HB3' ' O ' ' A' ' 102' ' ' ARG . . . 84.1 24.41 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.15 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.457 HG12 ' CG ' ' A' ' 26' ' ' GLN . 33.3 m -98.5 -174.77 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 104' ' ' VAL . . . 67.93 110.78 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.28 -68.57 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 64.74 133.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.318 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -146.31 98.18 3.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 110.341 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -84.23 165.09 18.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.004 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -131.35 -156.05 8.34 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.476 1.11 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 37.9 p -146.51 141.51 27.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 0.79 . . . . 0.0 109.99 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 143.69 157.41 7.16 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.472 1.107 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 169.54 22.41 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.497 1.788 . . . . 0.0 110.985 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.4 -59.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.014 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.6 158.89 0.84 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.991 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 O-C-N 124.49 1.119 . . . . 0.0 111.032 -179.998 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -133.17 113.24 12.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.466 HD13 ' CG2' ' A' ' 82' ' ' VAL . 9.2 mp -106.24 138.79 41.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.799 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 16.4 t80 -96.62 112.37 24.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.951 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.68 HG22 HD21 ' A' ' 35' ' ' LEU . 9.1 mm -84.41 128.06 39.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.85 134.32 11.0 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.523 1.14 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.96 74.16 1.11 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.68 HD21 HG22 ' A' ' 32' ' ' ILE . 6.1 mt -95.85 -4.76 43.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 0.793 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.531 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER 81.15 -7.77 1.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.993 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.608 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 0.5 OUTLIER 75.22 -2.17 2.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.4 ' CB ' ' OD2' ' A' ' 94' ' ' ASP . 0.5 OUTLIER -111.41 4.12 18.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 110.3 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.413 ' CG2' ' HB2' ' A' ' 44' ' ' LEU . 1.1 m -106.14 109.79 21.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 110.421 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 24.7 p -81.94 178.68 8.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.429 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.484 ' CG ' HG12 ' A' ' 59' ' ' VAL . 82.8 mt-10 -53.72 -52.75 59.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -62.41 -64.04 1.05 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 110.317 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.5 m -39.86 -37.35 0.55 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 110.01 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.503 HD21 ' CG1' ' A' ' 74' ' ' VAL . 1.3 tp -72.64 -57.9 3.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.839 ' HG2' HD12 ' A' ' 54' ' ' LEU . 12.2 mtp180 -49.09 -43.52 41.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 110.265 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -47.89 -24.72 1.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.655 ' CD2' HD11 ' A' ' 93' ' ' ILE . 33.0 t80 -92.82 -47.69 6.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.534 ' HB2' HD11 ' A' ' 54' ' ' LEU . 51.3 m-85 -89.1 24.42 2.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 45' ' ' ARG . 2.5 mt-10 -98.95 -18.47 17.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.305 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -72.92 -61.48 1.8 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 110.328 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.641 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 7.3 m-90 -49.99 -41.08 46.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 108.021 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.54 160.91 29.61 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.501 1.125 . . . . 0.0 110.958 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.56 124.62 30.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 0.74 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.839 HD12 ' HG2' ' A' ' 45' ' ' ARG . 20.4 mt -79.27 117.76 20.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 75' ' ' THR . 22.4 p -72.17 -18.07 61.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.374 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -160.32 123.01 3.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 26.2 p -128.09 119.04 24.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 108.288 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.0 t -120.78 139.03 49.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.484 HG12 ' CG ' ' A' ' 41' ' ' GLU . 13.7 p -124.37 113.58 37.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.575 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 34.1 mmt -67.75 141.75 56.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.2 mtm105 -119.78 143.75 47.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.471 ' CB ' ' HB2' ' A' ' 65' ' ' SER . 30.1 m-20 -42.21 125.96 2.77 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -10.27 21.2 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.483 1.781 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -110.91 -42.19 4.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.471 ' HB2' ' CB ' ' A' ' 62' ' ' ASP . 0.5 OUTLIER -81.49 -35.54 30.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.028 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 62' ' ' ASP . 2.2 mmtp 65.8 42.35 3.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.1 mmt85 -126.73 -77.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.319 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.5 m -155.81 133.07 10.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.024 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.23 -35.81 23.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 103.43 19.18 12.73 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.482 1.114 . . . . 0.0 111.031 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.799 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -160.12 148.22 16.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 0.744 . . . . 0.0 110.99 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -156.85 -157.57 8.43 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.494 1.121 . . . . 0.0 111.025 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -132.27 143.69 50.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.57 HG21 HD11 ' A' ' 32' ' ' ILE . 3.7 m -124.84 115.53 44.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 55' ' ' THR . 2.5 m -102.06 104.88 15.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 110.4 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.534 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 13.4 m-85 -70.48 171.04 10.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.2 t -84.71 -39.97 17.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.01 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.95 164.44 19.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 0.0 110.01 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.403 ' HA ' ' CG1' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -80.47 -14.33 58.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.97 -58.19 3.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.257 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.401 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 3.7 mp0 -48.22 -57.87 5.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.534 ' HB ' ' CD2' ' A' ' 76' ' ' PHE . 7.5 p -50.04 -45.74 23.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.352 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.41 -38.55 69.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 81' ' ' GLU . . . -67.28 -40.11 86.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.24 -34.61 76.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.419 ' HG2' HD21 ' A' ' 30' ' ' LEU . 0.7 OUTLIER -62.86 -41.7 99.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 111.006 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -98.76 49.75 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.577 ' O ' ' CD2' ' A' ' 91' ' ' HIS . . . -141.61 52.29 1.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.487 ' HA ' ' C ' ' A' ' 90' ' ' PRO . 12.6 mtm105 -109.63 158.38 34.92 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.334 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.487 ' C ' ' HA ' ' A' ' 89' ' ' ARG . 18.1 Cg_endo -75.04 -172.3 10.6 Favored 'Cis proline' 0 C--N 1.361 1.191 0 C-N-CA 120.968 -2.513 . . . . 0.0 110.965 0.018 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.641 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 4.2 m170 -125.87 124.45 40.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.582 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.0 p -118.17 117.22 28.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.067 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.655 HD11 ' CD2' ' A' ' 47' ' ' TYR . 15.0 mt -136.91 145.1 30.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.4 ' OD2' ' CB ' ' A' ' 38' ' ' GLU . 5.2 t0 63.26 13.42 6.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.15 17.5 69.32 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.496 1.123 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.44 ' HD2' HG12 ' A' ' 98' ' ' VAL . 0.0 OUTLIER -125.25 161.36 27.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 0.759 . . . . 0.0 110.249 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 60.1 t -91.41 111.81 24.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.499 HG23 ' N ' ' A' ' 99' ' ' GLU . 1.1 m -99.22 -172.82 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.499 ' N ' HG23 ' A' ' 98' ' ' VAL . 0.1 OUTLIER -158.43 109.31 1.67 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.263 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 161.52 38.55 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.487 1.783 . . . . 0.0 111.032 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.87 155.77 45.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 110.286 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.405 ' O ' ' HA ' ' A' ' 75' ' ' THR . 1.2 mpp_? . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.989 ' C ' HD13 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -140.88 119.23 12.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 1.001 HD21 HG23 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -116.44 148.4 40.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.796 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 14.1 t80 -96.75 105.27 17.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.967 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.66 HG22 HD21 ' A' ' 35' ' ' LEU . 7.9 mm -79.35 131.48 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.11 136.87 9.82 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.466 1.104 . . . . 0.0 111.034 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.448 ' C ' HD23 ' A' ' 35' ' ' LEU . . . 83.88 68.29 1.42 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.66 HD21 HG22 ' A' ' 32' ' ' ILE . 4.6 mt -95.58 -1.77 49.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 0.769 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.559 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER 79.97 -1.35 2.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.985 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.559 ' CG ' ' C ' ' A' ' 36' ' ' SER . 2.4 m-85 75.7 -2.35 2.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 40' ' ' THR . 0.1 OUTLIER -105.1 -62.32 1.36 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.517 HG22 ' O ' ' A' ' 39' ' ' THR . 0.9 OUTLIER -39.05 97.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.362 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.438 ' N ' ' O ' ' A' ' 38' ' ' GLU . 73.1 p -73.95 -173.62 1.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.363 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -53.38 -54.63 33.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.322 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 45' ' ' ARG . 5.7 tt0 -61.68 -63.49 1.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.265 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.9 m -43.06 -31.55 0.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.012 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.575 HD13 HD13 ' A' ' 35' ' ' LEU . 0.9 OUTLIER -79.64 -43.92 21.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.338 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.829 ' HG2' HD12 ' A' ' 54' ' ' LEU . 26.8 mtm180 -63.13 -48.17 79.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -47.89 -24.54 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.421 1.076 . . . . 0.0 109.321 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.536 ' CE1' ' O ' ' A' ' 92' ' ' SER . 26.8 t80 -88.26 -52.79 5.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.961 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.609 ' HB2' HD11 ' A' ' 54' ' ' LEU . 50.5 m-85 -89.1 28.19 1.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 45' ' ' ARG . 2.0 mt-10 -99.31 -19.64 16.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.098 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -72.0 -61.22 1.86 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.278 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.638 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 6.2 m-90 -50.15 -43.4 52.08 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -174.6 157.87 25.61 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 0.0 111.034 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.84 121.96 25.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 0.787 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.829 HD12 ' HG2' ' A' ' 45' ' ' ARG . 37.4 mt -73.71 109.49 7.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 75' ' ' THR . 16.5 p -71.86 -15.27 62.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.387 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -158.97 111.15 2.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.412 ' O ' ' SG ' ' A' ' 57' ' ' CYS . 14.1 p -128.27 125.6 39.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 108.315 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.4 t -130.82 141.57 45.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.471 HG13 ' O ' ' A' ' 59' ' ' VAL . 13.6 p -119.81 114.17 43.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.584 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 33.8 mmt -69.18 146.65 52.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 64.6 mtt180 -128.34 134.94 48.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.286 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.462 ' CB ' ' HB2' ' A' ' 65' ' ' SER . 10.4 m-20 -40.75 130.86 1.85 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -8.3 19.91 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.508 1.793 . . . . 0.0 111.032 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -113.13 -40.35 3.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.462 ' HB2' ' CB ' ' A' ' 62' ' ' ASP . 0.6 OUTLIER -85.67 -37.07 19.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.945 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER 59.06 26.95 15.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 68' ' ' SER . 20.5 mtt180 -128.17 61.5 1.45 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 110.305 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 67' ' ' ARG . 15.5 m 61.44 129.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 110.001 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.03 -36.31 19.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 34' ' ' GLY . . . 113.68 17.36 7.53 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.426 1.079 . . . . 0.0 110.975 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.796 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -159.38 148.41 18.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 0.775 . . . . 0.0 110.988 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -155.75 -163.34 12.1 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -125.24 146.11 49.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 0.745 . . . . 0.0 111.03 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.464 ' CG1' HD21 ' A' ' 44' ' ' LEU . 18.9 m -131.6 120.59 45.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 55' ' ' THR . 1.7 m -112.78 111.57 22.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.386 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -78.55 172.92 12.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.22 -46.36 11.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.98 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.5 m -111.54 155.75 22.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.984 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.497 ' HA ' ' CG1' ' A' ' 82' ' ' VAL . 34.0 tpp -79.25 -11.69 59.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.983 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.89 -51.96 11.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.558 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 7.9 mm-40 -56.25 -56.26 23.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 110.286 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 1.001 HG23 HD21 ' A' ' 30' ' ' LEU . 7.4 p -48.33 -48.28 13.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.405 ' N ' HG13 ' A' ' 82' ' ' VAL . 0.2 OUTLIER -56.73 -27.41 59.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.284 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' A' ' 81' ' ' GLU . . . -76.76 -58.54 3.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -51.62 -42.28 61.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -54.05 -48.36 70.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -101.18 48.65 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.503 ' O ' ' CD2' ' A' ' 91' ' ' HIS . . . -130.71 41.11 3.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.506 ' CB ' ' HA ' ' A' ' 90' ' ' PRO . 4.9 mtm180 -91.3 161.14 35.59 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.246 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.506 ' HA ' ' CB ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -74.99 178.85 32.87 Favored 'Cis proline' 0 C--N 1.36 1.14 0 C-N-CA 121.021 -2.491 . . . . 0.0 111.003 -0.027 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.638 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 8.4 m170 -128.2 120.22 26.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.551 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.536 ' O ' ' CE1' ' A' ' 47' ' ' TYR . 14.5 p -115.34 119.21 35.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.038 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.528 HG12 ' CE1' ' A' ' 47' ' ' TYR . 16.3 mt -134.99 147.74 29.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.571 1.169 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.441 ' OD2' ' N ' ' A' ' 39' ' ' THR . 0.4 OUTLIER 62.65 14.27 7.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 88.18 -4.85 85.37 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.451 ' NH2' ' OE2' ' A' ' 99' ' ' GLU . 7.2 ptm180 -105.3 168.36 9.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 0.792 . . . . 0.0 110.275 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 61.0 t -97.54 104.41 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.44 HG23 ' N ' ' A' ' 99' ' ' GLU . 1.2 m -85.45 -175.1 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.137 . . . . 0.0 109.339 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.451 ' OE2' ' NH2' ' A' ' 96' ' ' ARG . 2.0 pm0 -158.77 109.97 1.61 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.169 . . . . 0.0 110.277 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.51 ' O ' ' CD ' ' A' ' 101' ' ' LYS . 18.2 Cg_endo -75.07 158.92 41.68 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.486 1.782 . . . . 0.0 110.971 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.51 ' CD ' ' O ' ' A' ' 100' ' ' PRO . 0.1 OUTLIER -143.49 168.89 18.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 179.932 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.35 118.11 34.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.641 HD13 ' CG2' ' A' ' 82' ' ' VAL . 8.4 mp -107.61 124.02 49.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.785 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 9.6 t80 -86.87 109.65 19.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.538 HG22 HD21 ' A' ' 35' ' ' LEU . 6.3 mm -84.47 133.82 28.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.66 134.89 10.19 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.512 1.132 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.459 ' C ' HD23 ' A' ' 35' ' ' LEU . . . 79.48 76.01 0.99 Allowed Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.538 HD21 HG22 ' A' ' 32' ' ' ILE . 3.7 mt -98.45 2.34 47.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 0.769 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.551 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 78.03 0.34 2.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.032 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.551 ' CG ' ' C ' ' A' ' 36' ' ' SER . 1.9 m-85 75.67 -2.33 2.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 39' ' ' THR . 0.1 OUTLIER -106.12 -64.93 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 110.33 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.45 HG22 ' O ' ' A' ' 39' ' ' THR . 0.9 OUTLIER -37.66 99.5 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 0.0 110.428 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.4 ' N ' ' O ' ' A' ' 38' ' ' GLU . 60.3 p -77.34 -164.79 0.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.435 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -61.18 -54.24 46.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.083 . . . . 0.0 110.306 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 45' ' ' ARG . 3.2 mt-10 -59.68 -66.58 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.271 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.8 m -40.14 -33.31 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.994 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.816 HD21 ' CG1' ' A' ' 74' ' ' VAL . 9.2 tp -70.94 -51.14 27.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.5 OUTLIER -58.39 -52.54 65.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.311 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -43.16 -27.7 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.628 ' CD2' HD11 ' A' ' 93' ' ' ILE . 40.1 t80 -92.59 -46.46 7.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 111.047 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.504 ' OH ' HD12 ' A' ' 32' ' ' ILE . 21.4 m-85 -88.59 23.83 2.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.585 1.178 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 45' ' ' ARG . 2.1 mt-10 -99.48 -27.99 13.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.407 ' CD ' ' O ' ' A' ' 47' ' ' TYR . 1.9 pt20 -70.94 -14.24 62.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 110.302 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.643 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 8.9 m0 -98.17 -35.54 10.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 108.019 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 175.06 162.5 26.57 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.44 1.088 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.78 124.55 29.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.776 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.475 HD11 ' CB ' ' A' ' 48' ' ' TYR . 24.1 mt -82.64 109.93 17.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 17.8 p -74.84 -9.34 58.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 0.0 110.426 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -160.51 112.78 1.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.087 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 24.6 p -126.59 119.04 26.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 108.291 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.4 t -128.45 139.64 51.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.457 HG13 ' O ' ' A' ' 59' ' ' VAL . 14.7 p -124.38 114.66 41.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.577 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 34.9 mmt -67.27 147.39 53.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 0.0 111.008 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 41.1 mtt180 -126.41 142.68 51.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 110.29 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 66' ' ' LYS . 2.8 t70 -49.6 128.77 19.11 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -13.69 21.39 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.44 1.758 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -105.13 -40.37 5.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.81 -34.65 26.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.019 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER 61.11 40.15 15.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -125.3 -74.81 0.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.323 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.6 t -164.45 132.79 3.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 110.042 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.49 -43.89 22.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 34' ' ' GLY . . . 113.93 19.3 6.47 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.545 1.153 . . . . 0.0 110.976 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.785 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 0.4 OUTLIER -158.03 147.99 20.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 0.803 . . . . 0.0 111.044 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -155.56 -158.75 8.94 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 4.1 m-85 -131.6 145.11 51.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 0.78 . . . . 0.0 110.966 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.816 ' CG1' HD21 ' A' ' 44' ' ' LEU . 17.0 m -131.33 111.79 20.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.6 m -100.75 111.67 23.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.374 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.492 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 36.8 m-85 -77.41 170.06 17.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.977 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 t -81.16 -46.48 14.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.993 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.64 157.36 24.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.006 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.83 -16.82 61.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 111.049 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.72 -58.71 3.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.618 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 1.0 OUTLIER -46.83 -59.61 2.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.333 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.641 ' CG2' HD13 ' A' ' 30' ' ' LEU . 6.6 p -47.61 -48.87 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.405 ' N ' HG13 ' A' ' 82' ' ' VAL . 1.3 t70 -53.23 -34.68 58.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.618 ' HB3' ' O ' ' A' ' 81' ' ' GLU . . . -62.4 -61.56 2.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -44.07 -42.17 6.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.137 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.419 ' HG2' HD21 ' A' ' 30' ' ' LEU . 1.2 mtp -57.3 -40.81 78.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . -102.55 46.61 0.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.422 ' O ' ' CD2' ' A' ' 91' ' ' HIS . . . -142.86 41.13 1.54 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.102 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.503 ' CB ' ' HA ' ' A' ' 90' ' ' PRO . 14.6 mtm180 -96.0 160.92 28.94 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.503 ' HA ' ' CB ' ' A' ' 89' ' ' ARG . 18.2 Cg_endo -75.08 -173.15 11.83 Favored 'Cis proline' 0 C--N 1.359 1.13 0 C-N-CA 121.008 -2.497 . . . . 0.0 110.942 0.038 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.643 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 17.0 m170 -123.89 123.52 40.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.591 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.6 ' O ' ' CE1' ' A' ' 47' ' ' TYR . 6.2 p -119.54 116.97 27.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.049 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.628 HD11 ' CD2' ' A' ' 47' ' ' TYR . 15.5 mt -137.09 145.94 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 64.48 12.51 7.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.73 19.8 65.01 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.563 1.165 . . . . 0.0 111.002 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.479 ' CZ ' ' HB2' ' A' ' 96' ' ' ARG . 0.0 OUTLIER -130.31 157.26 43.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 0.742 . . . . 0.0 110.299 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 40.5 t -85.51 113.25 23.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.428 HG23 ' N ' ' A' ' 99' ' ' GLU . 1.5 m -97.45 -172.77 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.428 ' N ' HG23 ' A' ' 98' ' ' VAL . 0.0 OUTLIER -156.0 108.98 2.11 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 110.311 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 159.41 41.38 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.463 1.77 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -138.48 137.78 37.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.132 . . . . 0.0 110.336 -179.977 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 71.6 mtt180 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.47 113.78 22.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.581 HD13 ' CG2' ' A' ' 82' ' ' VAL . 6.8 mp -106.41 134.24 49.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.798 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 25.0 t80 -96.42 108.86 21.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.595 HG22 HD21 ' A' ' 35' ' ' LEU . 9.3 mm -82.42 123.7 38.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.32 135.12 12.59 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.506 1.129 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.794 ' O ' HG12 ' A' ' 98' ' ' VAL . . . 81.74 80.94 0.89 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.595 HD21 HG22 ' A' ' 32' ' ' ILE . 3.0 mt -106.98 3.25 25.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.75 . . . . 0.0 109.337 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.577 ' O ' ' CD2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 74.69 1.31 3.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.995 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.577 ' CD2' ' O ' ' A' ' 36' ' ' SER . 4.2 m-85 75.2 -2.21 2.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 40' ' ' THR . 1.5 mt-10 -106.03 -64.51 1.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.289 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.561 HG22 HD13 ' A' ' 35' ' ' LEU . 0.9 OUTLIER -37.8 97.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.367 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.434 ' N ' ' O ' ' A' ' 38' ' ' GLU . 18.3 p -72.7 -166.98 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.374 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.519 ' CG ' HG12 ' A' ' 59' ' ' VAL . 65.5 mt-10 -60.69 -54.25 47.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.428 ' C ' ' N ' ' A' ' 44' ' ' LEU . 4.7 tt0 -61.71 -62.41 1.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.0 m -40.52 -29.48 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.964 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.661 HD21 ' CG1' ' A' ' 74' ' ' VAL . 14.6 tp -77.58 -61.64 1.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -46.34 -48.73 18.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.334 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.3 t30 -47.54 -25.5 1.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.567 ' CE2' HG12 ' A' ' 93' ' ' ILE . 23.4 t80 -93.98 -45.4 7.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.492 ' CE2' HD11 ' A' ' 44' ' ' LEU . 27.1 m-85 -88.77 22.73 2.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 45' ' ' ARG . 2.9 mt-10 -99.01 -14.18 19.57 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 110.26 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.408 ' CD ' ' O ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -83.51 -8.28 59.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.335 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.491 ' CH2' ' CD2' ' A' ' 91' ' ' HIS . 6.5 m0 -103.44 -37.8 7.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 107.995 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 179.3 160.13 24.55 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.81 114.61 18.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 0.777 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 20.3 mt -72.01 125.49 27.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.435 ' H ' ' HG1' ' A' ' 55' ' ' THR . 69.7 p -82.38 -14.37 55.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.377 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -160.96 120.7 2.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.538 ' SG ' HD23 ' A' ' 44' ' ' LEU . 8.0 t -127.93 119.36 25.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 108.332 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.3 t -127.14 140.91 47.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.519 HG12 ' CG ' ' A' ' 41' ' ' GLU . 11.4 p -124.1 112.86 34.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.571 ' HG3' ' CE1' ' A' ' 71' ' ' PHE . 33.0 mmt -68.67 148.31 50.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.42 ' HA ' ' N ' ' A' ' 69' ' ' ARG . 10.1 mtt180 -140.03 127.24 21.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 110.29 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 66' ' ' LYS . 57.3 m-20 -40.88 122.4 1.9 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -21.08 16.27 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.515 1.798 . . . . 0.0 111.023 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -93.36 -43.54 8.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.52 -48.03 13.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.992 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER 73.59 28.79 1.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 55.9 mtt180 -128.06 48.71 2.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.2 m 60.58 146.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 110.003 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.57 ' HD3' ' CE2' ' A' ' 71' ' ' PHE . 3.1 mtt180 -92.2 -37.28 12.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.266 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' GLY . . . 107.59 20.85 8.24 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.523 1.139 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.798 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 1.3 p90 -160.25 151.61 19.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 0.735 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -156.27 -161.01 10.39 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.52 1.137 . . . . 0.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -131.36 147.15 52.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 0.773 . . . . 0.0 111.029 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.661 ' CG1' HD21 ' A' ' 44' ' ' LEU . 30.8 m -135.13 110.96 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 109.237 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 21.0 m -97.91 104.34 16.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.358 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.508 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 30.0 m-85 -69.28 169.94 11.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.73 -46.42 12.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 109.983 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.65 170.61 8.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.029 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.441 ' HA ' ' CG1' ' A' ' 82' ' ' VAL . 6.1 tpt -81.29 -28.36 34.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.34 -64.66 0.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.347 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.568 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 2.3 mp0 -41.11 -60.12 1.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.581 ' CG2' HD13 ' A' ' 30' ' ' LEU . 7.4 p -53.3 -45.65 56.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.24 -27.91 56.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.351 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.568 ' HB3' ' O ' ' A' ' 81' ' ' GLU . . . -72.88 -48.83 34.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -55.25 -39.85 70.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.435 ' CE ' ' HG3' ' A' ' 102' ' ' ARG . 1.2 mtp -56.86 -41.14 77.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -112.22 40.11 2.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.455 ' HB2' ' O ' ' A' ' 84' ' ' ALA . . . -110.99 -19.12 12.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.479 ' HA ' ' C ' ' A' ' 90' ' ' PRO . 3.5 mtm180 -46.18 159.15 0.34 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.323 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.479 ' C ' ' HA ' ' A' ' 89' ' ' ARG . 18.5 Cg_endo -75.01 -176.99 19.23 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 120.983 -2.507 . . . . 0.0 111.007 -0.008 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.491 ' CD2' ' CH2' ' A' ' 51' ' ' TRP . 32.8 m170 -140.71 128.77 22.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.604 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.3 p -119.19 111.08 17.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.057 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.567 HG12 ' CE2' ' A' ' 47' ' ' TYR . 19.3 mt -127.4 137.09 58.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.4 t70 68.35 9.75 7.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.084 . . . . 0.0 109.305 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 94.3 -8.07 72.24 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.504 1.127 . . . . 0.0 111.028 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.475 ' HD2' ' CB ' ' A' ' 36' ' ' SER . 0.3 OUTLIER -105.7 160.71 15.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 0.745 . . . . 0.0 110.282 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 43.1 t -89.77 116.73 31.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.794 HG12 ' O ' ' A' ' 34' ' ' GLY . 8.4 m -93.46 -179.3 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.36 108.94 2.05 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 156.89 42.97 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.472 1.775 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.9 mmtm -134.23 150.5 51.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.435 ' HG3' ' CE ' ' A' ' 86' ' ' MET . 10.0 mtt180 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.7 mtm-85 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.84 118.92 35.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.479 HD13 HG21 ' A' ' 82' ' ' VAL . 9.0 mp -111.43 160.2 17.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.1 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.794 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 19.2 t80 -122.41 109.97 15.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.532 HG21 HD11 ' A' ' 44' ' ' LEU . 5.4 mm -82.5 132.91 30.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.43 114.73 2.21 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.446 1.091 . . . . 0.0 110.991 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.704 ' C ' HD23 ' A' ' 35' ' ' LEU . . . 111.7 70.02 0.58 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.704 HD23 ' C ' ' A' ' 34' ' ' GLY . 4.0 mt -106.68 8.92 31.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.599 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 1.1 t 66.83 -73.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.988 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 36' ' ' SER . 0.3 OUTLIER 161.98 -25.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 110.996 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -99.22 30.1 3.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.573 1.171 . . . . 0.0 110.277 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.1 m -113.88 112.3 23.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.377 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 38.2 p -92.99 165.37 12.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.396 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -47.99 -53.86 14.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.251 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -54.31 -62.17 1.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 m -39.39 -57.01 1.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.998 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.532 HD11 HG21 ' A' ' 32' ' ' ILE . 0.9 OUTLIER -56.57 -48.45 77.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.25 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 49' ' ' GLU . 43.5 mtp180 -55.52 -57.28 12.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -42.11 -29.01 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.679 ' CE2' HD11 ' A' ' 93' ' ' ILE . 11.6 t80 -87.6 -52.81 5.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 111.018 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.44 ' CB ' HD11 ' A' ' 54' ' ' LEU . 32.1 m-85 -89.62 31.66 0.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 111.054 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 45' ' ' ARG . 1.0 OUTLIER -98.23 -30.49 12.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.32 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.414 ' CG ' ' N ' ' A' ' 51' ' ' TRP . 21.6 pt20 -67.54 -53.46 28.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.611 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 6.4 m0 -54.96 -21.34 11.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 107.967 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 164.16 163.31 16.84 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.514 1.133 . . . . 0.0 110.976 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.83 111.06 20.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 0.776 . . . . 0.0 109.259 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.517 HD13 ' CG1' ' A' ' 74' ' ' VAL . 21.0 mt -67.58 99.59 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 75' ' ' THR . 72.2 p -52.93 -23.46 7.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.425 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -161.17 129.26 4.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 48.8 t -127.5 118.86 24.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 108.323 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.1 t -118.1 134.78 60.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.593 HG23 HD12 ' A' ' 35' ' ' LEU . 11.8 p -124.09 114.11 39.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.579 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 34.6 mmt -67.31 143.72 56.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.408 ' HA ' ' N ' ' A' ' 69' ' ' ARG . 31.1 mtm180 -133.77 149.18 51.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.451 ' CB ' ' HB2' ' A' ' 65' ' ' SER . 66.1 m-20 -41.54 133.75 2.14 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 -10.77 21.3 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.485 1.782 . . . . 0.0 110.974 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -112.64 -41.64 3.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.451 ' HB2' ' CB ' ' A' ' 62' ' ' ASP . 0.3 OUTLIER -81.0 -36.67 30.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.007 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 61.9 32.22 17.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 16.6 mtt85 -105.35 -67.4 0.92 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.596 ' O ' ' CE1' ' A' ' 37' ' ' PHE . 46.2 t -169.47 148.42 3.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.528 1.143 . . . . 0.0 110.027 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.408 ' N ' ' HA ' ' A' ' 61' ' ' ARG . 0.2 OUTLIER -98.46 -39.79 8.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.262 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 113.59 11.83 12.5 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.494 1.121 . . . . 0.0 110.986 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.794 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 1.8 p90 -157.8 152.95 25.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -161.03 -157.79 8.95 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.46 1.1 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.477 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 1.3 m-85 -135.1 151.97 51.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 0.761 . . . . 0.0 111.017 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.517 ' CG1' HD13 ' A' ' 54' ' ' LEU . 15.7 m -135.07 112.25 14.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 55' ' ' THR . 2.6 m -96.54 103.62 15.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.377 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.469 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 15.9 m-85 -68.6 -175.57 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.3 t -94.18 -52.69 4.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.988 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 69.5 m -118.88 168.91 10.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.958 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.48 ' O ' ' CG1' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -69.43 -42.53 74.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.52 1.137 . . . . 0.0 110.961 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.05 -61.35 2.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -43.19 -64.41 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.249 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.48 ' CG1' ' O ' ' A' ' 79' ' ' MET . 7.5 p -53.6 -33.88 23.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 79' ' ' MET . 0.3 OUTLIER -61.38 -36.16 79.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.25 -53.48 29.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -50.45 -35.99 31.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.77 -29.19 69.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.968 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -123.93 39.31 4.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.475 ' CB ' ' HE2' ' A' ' 91' ' ' HIS . . . -109.76 -21.55 12.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.508 ' CB ' ' HA ' ' A' ' 90' ' ' PRO . 3.3 mtm105 -46.6 160.97 0.3 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.508 ' HA ' ' CB ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -74.97 177.1 40.53 Favored 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 121.006 -2.498 . . . . 0.0 111.008 -0.049 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.611 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 39.7 m170 -138.98 133.1 31.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.639 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.914 ' O ' HD13 ' A' ' 93' ' ' ILE . 4.3 p -119.06 121.14 39.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.03 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.914 HD13 ' O ' ' A' ' 92' ' ' SER . 9.7 mm -129.41 138.33 54.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.4 t0 64.88 12.14 7.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 86.25 18.6 58.83 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.483 1.114 . . . . 0.0 110.963 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.452 ' CG ' ' O ' ' A' ' 93' ' ' ILE . 0.4 OUTLIER -126.68 154.02 44.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 0.749 . . . . 0.0 110.316 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 13.0 t -82.06 104.56 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.666 HG12 ' O ' ' A' ' 34' ' ' GLY . 2.1 m -86.49 -179.92 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -154.45 109.28 2.4 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 160.08 40.55 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.509 1.794 . . . . 0.0 110.976 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -136.42 163.53 30.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.303 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.2 mtm-85 . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.297 -0.261 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.14 117.32 26.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.486 HD22 HG23 ' A' ' 82' ' ' VAL . 4.8 mp -111.22 165.7 11.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.799 ' CZ ' ' CD2' ' A' ' 71' ' ' PHE . 45.4 t80 -114.57 103.58 11.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.984 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.729 HG21 HD11 ' A' ' 44' ' ' LEU . 6.7 mm -78.69 130.76 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.248 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.25 138.56 11.35 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.531 1.145 . . . . 0.0 110.974 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.443 ' O ' HG12 ' A' ' 98' ' ' VAL . . . 86.79 67.81 1.34 Allowed Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.668 HD21 HG22 ' A' ' 32' ' ' ILE . 10.4 mt -103.42 9.14 37.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 0.749 . . . . 0.0 109.325 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.592 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 1.3 t 66.46 -69.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.595 ' CD1' ' O ' ' A' ' 68' ' ' SER . 0.3 OUTLIER 162.05 -25.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 111.0 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.605 ' O ' HG23 ' A' ' 40' ' ' THR . 1.6 mp0 -89.42 -45.69 9.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.262 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 38' ' ' GLU . 1.8 m -37.75 96.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 110.399 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.605 HG23 ' O ' ' A' ' 38' ' ' GLU . 72.8 p -83.33 178.16 8.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.42 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.505 ' CG ' HG12 ' A' ' 59' ' ' VAL . 75.8 mt-10 -53.22 -50.37 64.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.269 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -63.07 -62.56 1.63 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.273 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.8 m -39.3 -47.55 1.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.019 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.729 HD11 HG21 ' A' ' 32' ' ' ILE . 2.2 tp -61.13 -65.08 0.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.849 ' HG2' HD12 ' A' ' 54' ' ' LEU . 8.1 mtp180 -46.61 -47.28 19.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.283 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -47.01 -25.15 0.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.403 ' N ' ' C ' ' A' ' 45' ' ' ARG . 27.8 t80 -93.55 -47.35 6.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.561 ' CB ' HD11 ' A' ' 54' ' ' LEU . 43.3 m-85 -89.92 26.06 1.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 45' ' ' ARG . 3.5 mt-10 -99.07 -13.67 19.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.277 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -76.26 -61.17 2.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 110.313 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.627 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 9.1 m-90 -50.66 -37.07 38.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 108.005 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -178.33 165.34 34.59 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.533 1.145 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.21 118.09 27.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 0.752 . . . . 0.0 109.349 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.849 HD12 ' HG2' ' A' ' 45' ' ' ARG . 12.5 mt -75.29 99.66 4.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.44 ' N ' ' O ' ' A' ' 75' ' ' THR . 61.4 p -46.76 -25.86 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.435 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -159.39 126.72 4.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.426 ' CB ' ' HG3' ' A' ' 45' ' ' ARG . 28.8 p -128.08 117.55 21.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 108.294 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.436 HG12 ' HE2' ' A' ' 60' ' ' MET . 7.4 t -115.64 142.31 29.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.336 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.505 HG12 ' CG ' ' A' ' 41' ' ' GLU . 7.3 p -124.06 121.89 63.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.573 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 36.3 mmt -73.93 136.47 43.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -134.72 138.24 44.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.293 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.53 134.97 13.18 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -21.55 15.87 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.477 1.777 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -99.38 -47.96 4.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.256 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.91 -37.1 72.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.47 1.106 . . . . 0.0 109.999 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 75.9 19.25 1.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.341 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.1 mtt-85 -121.21 148.33 44.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.298 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.595 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 66.8 m -42.32 129.1 3.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.993 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.09 -28.11 67.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 117.1 11.94 8.68 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.556 1.16 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.799 ' CD2' ' CZ ' ' A' ' 31' ' ' PHE . 9.3 p90 -158.28 154.41 27.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -158.42 -162.71 12.07 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.498 1.124 . . . . 0.0 111.059 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.4 ' HA ' ' O ' ' A' ' 30' ' ' LEU . 8.1 m-85 -128.61 149.55 50.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 110.99 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.614 ' CG2' HD11 ' A' ' 32' ' ' ILE . 12.3 m -135.73 123.33 35.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 55' ' ' THR . 2.4 m -110.24 99.85 8.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.421 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.477 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 19.6 m-85 -65.73 175.34 1.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 111.039 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.1 t -86.41 -48.64 8.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.101 . . . . 0.0 109.992 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.91 -179.69 3.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.991 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.465 ' O ' ' CG1' ' A' ' 82' ' ' VAL . 0.6 OUTLIER -88.23 -31.88 18.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 111.019 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.76 -62.13 2.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -43.61 -62.51 1.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.294 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.486 HG23 HD22 ' A' ' 30' ' ' LEU . 7.3 p -50.31 -35.37 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.16 -34.65 78.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.359 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.537 ' O ' ' HB2' ' A' ' 88' ' ' ALA . . . -72.27 -37.99 68.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.97 -34.16 76.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.459 ' CE ' ' HG3' ' A' ' 102' ' ' ARG . 0.7 OUTLIER -65.59 -34.2 77.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -114.7 51.98 0.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.549 ' O ' ' CD2' ' A' ' 91' ' ' HIS . . . -138.64 50.73 1.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.482 ' CB ' ' HA ' ' A' ' 90' ' ' PRO . 5.3 mtm105 -111.59 160.06 30.87 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.347 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.482 ' HA ' ' CB ' ' A' ' 89' ' ' ARG . 18.2 Cg_endo -75.04 -168.91 6.88 Favored 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 121.003 -2.499 . . . . 0.0 110.965 0.029 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.627 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 5.0 m170 -132.87 139.86 47.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 109.578 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.3 p -125.31 111.4 15.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.996 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.479 ' O ' ' CG ' ' A' ' 96' ' ' ARG . 9.9 mt -137.21 150.33 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.469 ' OD2' ' CB ' ' A' ' 36' ' ' SER . 41.5 t0 57.96 28.52 16.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 66.59 19.99 69.56 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.485 ' CZ ' ' HB2' ' A' ' 96' ' ' ARG . 0.1 OUTLIER -128.31 168.21 15.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 0.76 . . . . 0.0 110.339 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.429 ' O ' ' NH2' ' A' ' 96' ' ' ARG . 60.5 t -97.06 103.98 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.51 HG22 ' HB3' ' A' ' 91' ' ' HIS . 1.4 m -89.86 -174.39 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.414 ' N ' HG23 ' A' ' 98' ' ' VAL . 2.0 pm0 -158.67 109.53 1.63 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.258 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.437 ' HD2' ' CD ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -74.99 150.33 38.06 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.485 1.782 . . . . 0.0 111.035 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt -141.43 178.64 7.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.459 ' HG3' ' CE ' ' A' ' 86' ' ' MET . 1.5 ttt180 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.7 mtm105 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.47 116.67 29.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.52 HD21 ' HG2' ' A' ' 86' ' ' MET . 5.2 mp -110.49 146.12 36.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.36 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.642 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 30.2 t80 -98.32 103.6 15.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.974 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.733 HD11 ' CG2' ' A' ' 74' ' ' VAL . 3.9 mm -82.17 133.91 28.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.29 131.65 6.65 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.509 1.131 . . . . 0.0 111.017 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.639 ' O ' HG12 ' A' ' 98' ' ' VAL . . . 100.61 57.92 0.86 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.466 HD13 HD13 ' A' ' 44' ' ' LEU . 3.9 mt -99.41 9.31 43.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 0.762 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.587 ' O ' ' CG ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 74.11 -72.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.021 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.587 ' CG ' ' O ' ' A' ' 36' ' ' SER . 0.2 OUTLIER 164.34 -28.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.991 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.464 ' O ' HG23 ' A' ' 40' ' ' THR . 2.0 tt0 -87.97 -55.39 3.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.253 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 38' ' ' GLU . 1.1 m -36.9 98.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.116 . . . . 0.0 110.416 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.464 HG23 ' O ' ' A' ' 38' ' ' GLU . 80.7 p -81.63 -166.81 1.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.394 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.503 ' CG ' HG12 ' A' ' 59' ' ' VAL . 65.7 mt-10 -59.44 -55.34 35.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 43' ' ' SER . 2.2 mt-10 -57.35 -66.29 0.48 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 110.324 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 42' ' ' GLU . 3.3 m -38.58 -38.85 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.466 HD13 HD13 ' A' ' 35' ' ' LEU . 6.5 tp -74.6 -59.93 2.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -46.15 -46.17 17.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 110.309 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -46.83 -25.56 0.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.402 ' N ' ' C ' ' A' ' 45' ' ' ARG . 9.8 t80 -91.71 -47.33 7.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.613 ' CB ' HD11 ' A' ' 54' ' ' LEU . 39.1 m-85 -88.55 23.28 2.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 111.005 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 45' ' ' ARG . 1.1 mt-10 -98.81 -18.78 17.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -73.24 -60.64 2.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.351 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.635 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 7.3 m-90 -50.09 -36.34 29.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 107.988 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 179.97 155.81 16.36 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.506 1.129 . . . . 0.0 110.945 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.08 119.77 21.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.613 HD11 ' CB ' ' A' ' 48' ' ' TYR . 13.8 mt -75.62 125.87 29.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 34.5 p -86.11 -27.77 24.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.39 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -143.65 113.08 6.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 11.7 t -127.96 121.87 30.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 0.0 108.317 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.7 t -124.05 139.72 49.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.533 HG13 ' O ' ' A' ' 59' ' ' VAL . 11.9 p -124.43 108.98 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.365 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.579 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 34.3 mmt -57.76 149.25 22.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.474 ' NH1' HG13 ' A' ' 59' ' ' VAL . 2.0 mtm-85 -135.65 123.9 23.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.422 ' N ' ' HG3' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -40.99 124.2 2.0 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -25.6 11.64 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.52 1.8 . . . . 0.0 110.956 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -90.14 -49.18 6.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.6 m -72.09 -48.14 46.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 110.011 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 75.29 20.99 1.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.4 mtt85 -126.57 58.34 1.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.32 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.7 m 60.32 148.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.137 . . . . 0.0 109.966 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.562 ' HD3' ' CE2' ' A' ' 71' ' ' PHE . 3.4 mtt180 -91.93 -45.71 8.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.345 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 117.69 12.22 8.07 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.642 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 1.3 p90 -158.29 155.62 29.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 0.763 . . . . 0.0 110.978 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -164.85 -160.7 12.59 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.423 ' HA ' ' O ' ' A' ' 30' ' ' LEU . 4.5 m-85 -124.16 151.67 43.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.733 ' CG2' HD11 ' A' ' 32' ' ' ILE . 6.7 m -132.65 119.39 38.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.3 m -111.26 109.37 19.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.411 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.413 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 28.7 m-85 -73.16 -178.21 2.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.984 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.45 -44.41 10.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.998 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.55 176.32 5.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.01 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.45 ' O ' ' CG1' ' A' ' 82' ' ' VAL . 3.6 tpt -85.09 -30.17 24.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.435 ' O ' ' CB ' ' A' ' 83' ' ' ASP . . . -60.68 -62.34 1.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -43.03 -61.81 1.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.48 HG23 HD22 ' A' ' 30' ' ' LEU . 7.6 p -50.45 -32.72 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.435 ' CB ' ' O ' ' A' ' 80' ' ' ALA . 2.7 t0 -65.85 -35.1 79.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.14 -45.8 72.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.2 -48.04 81.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.52 ' HG2' HD21 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -50.12 -38.72 40.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -109.16 48.51 0.86 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.58 ' O ' ' CD2' ' A' ' 91' ' ' HIS . . . -136.59 46.35 2.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.505 ' CB ' ' HA ' ' A' ' 90' ' ' PRO . 4.1 mtm105 -106.25 160.88 24.64 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.323 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.505 ' HA ' ' CB ' ' A' ' 89' ' ' ARG . 18.4 Cg_endo -74.96 -174.91 14.95 Favored 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 121.004 -2.498 . . . . 0.0 110.998 0.013 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.635 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 7.1 m170 -127.13 126.3 42.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.603 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.4 p -115.88 112.88 22.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.971 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 5.4 mt -137.13 149.98 26.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.2 t70 64.51 12.55 7.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 85.12 1.25 88.61 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.553 1.158 . . . . 0.0 111.041 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.442 ' NH1' ' HB2' ' A' ' 96' ' ' ARG . 0.0 OUTLIER -115.71 162.4 17.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 0.731 . . . . 0.0 110.271 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 58.4 t -88.34 107.21 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.639 HG12 ' O ' ' A' ' 34' ' ' GLY . 1.6 m -88.03 -170.53 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.455 ' N ' HG23 ' A' ' 98' ' ' VAL . 3.6 pt-20 -158.25 109.44 1.71 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.153 . . . . 0.0 110.32 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 149.33 36.62 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.536 1.808 . . . . 0.0 110.995 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 25.7 mmtt -137.63 169.96 16.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.455 ' HG3' ' CE ' ' A' ' 86' ' ' MET . 5.8 mtp180 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.28 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.439 ' O ' HG23 ' A' ' 75' ' ' THR . 1.9 mtt-85 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -127.68 112.65 15.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.588 HD22 HG23 ' A' ' 82' ' ' VAL . 6.8 mp -104.26 141.8 35.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.62 ' CE2' ' CD1' ' A' ' 71' ' ' PHE . 29.4 t80 -102.61 108.66 20.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.627 HG22 HD21 ' A' ' 35' ' ' LEU . 6.5 mm -81.37 131.2 34.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.243 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.89 130.23 8.17 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 70' ' ' GLY . . . 81.62 76.26 1.08 Allowed Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.627 HD21 HG22 ' A' ' 32' ' ' ILE . 6.7 mt -97.0 -3.52 41.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 0.787 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.571 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 0.3 OUTLIER 83.82 -9.89 0.97 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.971 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.571 ' CG ' ' C ' ' A' ' 36' ' ' SER . 1.8 m-85 75.21 -2.35 2.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -113.98 4.71 15.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.3 m -102.24 108.91 20.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.415 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 35.2 p -77.81 158.47 29.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 110.407 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.683 ' CG ' HG12 ' A' ' 59' ' ' VAL . 85.8 mt-10 -40.44 -54.13 2.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 110.311 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 43' ' ' SER . 3.7 tt0 -56.8 -60.8 3.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 110.301 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 42' ' ' GLU . 0.6 OUTLIER -38.76 -53.54 1.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.981 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.602 HD21 ' CG1' ' A' ' 74' ' ' VAL . 1.9 tp -57.23 -50.97 71.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.541 ' CG ' HD12 ' A' ' 54' ' ' LEU . 8.8 mtm180 -52.63 -56.03 18.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 110.319 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.4 t30 -39.83 -29.95 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.666 ' CD2' HD11 ' A' ' 93' ' ' ILE . 13.5 t80 -90.82 -44.67 9.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 111.022 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -89.22 24.47 2.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 45' ' ' ARG . 0.5 OUTLIER -99.11 -31.81 11.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -63.23 -51.81 64.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.625 ' CZ2' ' NE2' ' A' ' 91' ' ' HIS . 5.2 m-90 -54.63 -41.27 69.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.122 . . . . 0.0 108.026 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.02 167.18 39.2 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.492 1.12 . . . . 0.0 111.048 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -85.94 116.97 24.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 0.781 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.541 HD12 ' CG ' ' A' ' 45' ' ' ARG . 30.8 mt -72.3 131.58 42.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.344 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 30.5 p -95.6 -15.44 22.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.397 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -159.08 118.16 2.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.45 ' SG ' ' NE ' ' A' ' 45' ' ' ARG . 6.2 p -125.7 121.65 34.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 108.316 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.2 t -130.7 138.62 53.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.683 HG12 ' CG ' ' A' ' 41' ' ' GLU . 7.3 p -124.46 115.78 45.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.574 ' HG3' ' CE1' ' A' ' 71' ' ' PHE . 36.6 mmt -68.17 136.27 53.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 111.037 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 62' ' ' ASP . 7.1 mtp180 -133.96 128.49 34.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.353 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 67' ' ' ARG . 0.4 OUTLIER -39.92 129.34 1.56 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -32.62 5.26 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.491 1.785 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -87.17 -46.32 9.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.36 -36.92 68.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.993 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 74.86 23.53 1.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 62' ' ' ASP . 6.2 mtp180 -122.11 154.61 37.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 0.0 110.341 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 18.8 m -58.96 124.78 21.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.022 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -65.18 -24.58 67.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.318 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' GLY . . . 100.07 25.13 9.16 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.62 ' CD1' ' CE2' ' A' ' 31' ' ' PHE . 2.1 p90 -160.34 148.8 16.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 0.761 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -159.77 -158.41 9.15 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.541 1.151 . . . . 0.0 110.974 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.4 ' HA ' ' O ' ' A' ' 30' ' ' LEU . 6.2 m-85 -131.39 145.78 51.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.762 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.602 ' CG1' HD21 ' A' ' 44' ' ' LEU . 26.4 m -131.13 108.75 15.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.439 HG23 ' O ' ' A' ' 28' ' ' ARG . 1.9 m -96.94 108.99 21.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.402 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.465 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 21.6 m-85 -73.51 -176.16 2.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.55 -32.25 10.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.034 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.6 t -123.29 170.8 9.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.02 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.441 ' HA ' ' CG1' ' A' ' 82' ' ' VAL . 0.1 OUTLIER -85.8 -33.29 21.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 111.005 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.13 -60.33 3.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.563 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 83.6 mt-10 -44.84 -60.67 1.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.588 HG23 HD22 ' A' ' 30' ' ' LEU . 7.5 p -52.88 -44.63 49.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.5 -31.3 61.92 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.658 ' O ' ' HB2' ' A' ' 88' ' ' ALA . . . -68.25 -52.15 37.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.426 1.079 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -51.01 -35.77 35.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.559 ' SD ' HD21 ' A' ' 30' ' ' LEU . 93.1 mmm -64.24 -58.07 7.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -92.18 37.03 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.658 ' HB2' ' O ' ' A' ' 84' ' ' ALA . . . -112.39 -31.93 6.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.507 ' CG ' ' HA ' ' A' ' 90' ' ' PRO . 0.3 OUTLIER -40.26 160.75 0.11 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.327 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.594 ' O ' ' CD2' ' A' ' 91' ' ' HIS . 18.3 Cg_endo -75.03 -179.29 26.17 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 121.008 -2.497 . . . . 0.0 110.96 0.032 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.625 ' NE2' ' CZ2' ' A' ' 51' ' ' TRP . 32.8 m170 -145.82 147.81 32.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.644 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.791 ' O ' HD13 ' A' ' 93' ' ' ILE . 50.7 m -132.39 134.86 45.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.961 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.791 HD13 ' O ' ' A' ' 92' ' ' SER . 10.6 mm -133.14 133.43 58.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.9 t70 69.78 7.59 6.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.092 . . . . 0.0 109.246 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 100.94 -9.96 58.44 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.49 1.118 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.495 ' CZ ' ' HB2' ' A' ' 96' ' ' ARG . 0.0 OUTLIER -94.33 162.67 13.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 0.0 110.287 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 17.3 t -95.32 112.98 28.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 1.9 m -94.03 -179.0 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -155.53 108.58 2.2 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.411 ' HD2' ' NE ' ' A' ' 89' ' ' ARG . 18.1 Cg_endo -75.02 161.88 37.99 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.492 1.785 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt -139.94 155.66 47.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.081 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.453 ' NH2' ' O ' ' A' ' 76' ' ' PHE . 10.9 mtp-105 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.13 118.15 32.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.635 HD22 HG23 ' A' ' 82' ' ' VAL . 6.9 mp -106.6 149.73 26.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.801 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 6.9 t80 -111.29 112.23 23.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.53 HG22 HD21 ' A' ' 35' ' ' LEU . 8.3 mm -84.67 133.64 28.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.68 130.13 7.77 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.517 1.135 . . . . 0.0 111.015 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.52 ' C ' HD23 ' A' ' 35' ' ' LEU . . . 86.2 74.98 1.26 Allowed Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.53 HD21 HG22 ' A' ' 32' ' ' ILE . 2.9 mt -98.76 1.0 45.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 0.78 . . . . 0.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.525 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 0.2 OUTLIER 72.38 -3.33 2.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 110.038 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.525 ' CG ' ' C ' ' A' ' 36' ' ' SER . 0.8 OUTLIER 71.87 -0.96 3.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 111.042 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.404 ' C ' ' OD2' ' A' ' 94' ' ' ASP . 0.0 OUTLIER -115.35 19.51 15.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.316 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.23 106.71 12.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.377 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 41.6 p -78.66 168.8 19.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.404 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.487 ' CG ' HG12 ' A' ' 59' ' ' VAL . 58.2 mt-10 -45.63 -55.16 6.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.278 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 45' ' ' ARG . 0.3 OUTLIER -59.6 -59.44 5.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.264 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.2 m -43.11 -31.27 0.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 109.994 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.591 HD23 ' SG ' ' A' ' 57' ' ' CYS . 0.8 OUTLIER -82.62 -42.09 18.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.653 ' HG2' HD12 ' A' ' 54' ' ' LEU . 8.3 mtm-85 -61.08 -45.61 94.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 0.0 110.275 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 29.4 t30 -52.22 -21.81 3.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.246 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.673 ' CD2' HD11 ' A' ' 93' ' ' ILE . 27.7 t80 -93.45 -43.67 8.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.982 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.741 ' CB ' HD11 ' A' ' 54' ' ' LEU . 24.2 m-85 -93.1 22.75 4.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 111.044 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 45' ' ' ARG . 3.1 mt-10 -98.9 -23.53 15.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.507 1.129 . . . . 0.0 110.33 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -72.24 -36.32 69.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.66 ' CH2' ' CE1' ' A' ' 91' ' ' HIS . 6.5 m0 -74.38 -45.54 46.24 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -169.02 165.66 39.09 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.07 110.18 19.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 0.794 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.741 HD11 ' CB ' ' A' ' 48' ' ' TYR . 18.2 mt -69.78 112.48 6.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 75' ' ' THR . 40.0 p -55.38 -32.72 62.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 110.416 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -160.79 138.63 9.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.591 ' SG ' HD23 ' A' ' 44' ' ' LEU . 32.2 t -128.48 123.77 34.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 108.325 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.9 t -119.66 136.55 56.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.487 HG12 ' CG ' ' A' ' 41' ' ' GLU . 14.7 p -124.6 119.46 56.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.565 ' HG3' ' CE1' ' A' ' 71' ' ' PHE . 33.4 mmt -71.82 135.47 46.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -133.28 126.36 31.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.335 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 66' ' ' LYS . 1.6 t0 -41.14 124.52 2.09 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.259 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -21.12 16.21 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.465 1.771 . . . . 0.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -95.94 -46.42 6.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.78 -32.69 57.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.997 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 62' ' ' ASP . 0.3 OUTLIER 75.47 15.69 2.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -113.99 145.22 41.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.7 t -46.18 133.06 9.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.02 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -27.16 66.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.334 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 102.12 16.37 23.43 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.801 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 1.3 p90 -159.18 147.11 17.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 0.749 . . . . 0.0 110.961 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -153.06 -159.82 9.3 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.478 1.111 . . . . 0.0 110.972 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.447 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 1.6 m-85 -133.93 151.24 51.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 111.056 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.543 ' CG1' HD21 ' A' ' 44' ' ' LEU . 26.7 m -135.28 122.54 36.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 55' ' ' THR . 5.6 m -104.98 104.94 14.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 110.38 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.562 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 27.2 m-85 -68.88 169.5 11.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.977 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.25 -34.26 17.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.961 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.3 m -127.83 171.87 11.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.01 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.457 ' HA ' ' CG1' ' A' ' 82' ' ' VAL . 1.3 tpt -83.28 -26.76 30.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.138 . . . . 0.0 110.991 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.21 -60.6 3.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.667 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 6.3 mt-10 -45.76 -61.25 1.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.34 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.635 HG23 HD22 ' A' ' 30' ' ' LEU . 7.6 p -51.29 -47.2 34.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.31 -21.9 38.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.667 ' HB3' ' O ' ' A' ' 81' ' ' GLU . . . -77.23 -65.69 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.356 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -40.3 -47.68 2.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.581 ' SD ' HD21 ' A' ' 30' ' ' LEU . 95.0 mmm -51.13 -54.82 21.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -92.75 51.08 1.66 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.52 ' O ' ' CD2' ' A' ' 91' ' ' HIS . . . -141.88 40.3 1.67 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.506 ' CB ' ' HA ' ' A' ' 90' ' ' PRO . 26.2 mtm-85 -95.4 161.02 29.27 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.27 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.506 ' HA ' ' CB ' ' A' ' 89' ' ' ARG . 18.4 Cg_endo -74.96 -177.53 20.76 Favored 'Cis proline' 0 C--N 1.361 1.194 0 C-N-CA 120.986 -2.506 . . . . 0.0 111.0 -0.063 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.66 ' CE1' ' CH2' ' A' ' 51' ' ' TRP . 7.9 m170 -125.36 130.28 51.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.613 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 p -121.74 114.41 21.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.673 HD11 ' CD2' ' A' ' 47' ' ' TYR . 9.6 mt -137.12 148.34 26.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.404 ' OD2' ' C ' ' A' ' 38' ' ' GLU . 7.3 t0 65.65 12.3 8.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 85.67 7.24 82.0 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -121.5 168.11 12.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 0.741 . . . . 0.0 110.322 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 98.2 t -93.65 105.92 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.447 HG12 ' O ' ' A' ' 34' ' ' GLY . 1.5 m -90.3 -173.22 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.414 ' N ' HG23 ' A' ' 98' ' ' VAL . 4.4 pt-20 -155.79 108.73 2.15 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.301 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.418 ' HG3' ' ND1' ' A' ' 91' ' ' HIS . 18.3 Cg_endo -74.98 160.79 39.79 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.493 1.786 . . . . 0.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.3 mttm -138.75 158.67 43.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 10.4 ttt180 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 110.311 -180.0 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.4 mtm180 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -87.19 112.91 22.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.882 HD21 ' SD ' ' A' ' 86' ' ' MET . 0.9 OUTLIER -102.48 165.69 10.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.736 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 11.6 t80 -121.74 112.4 18.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.991 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.652 HD12 ' CZ ' ' A' ' 48' ' ' TYR . 8.1 mm -87.66 120.2 36.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.68 119.63 4.01 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.509 1.131 . . . . 0.0 111.015 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.61 ' O ' HG12 ' A' ' 98' ' ' VAL . . . 121.1 34.04 0.92 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.712 HD21 HD13 ' A' ' 44' ' ' LEU . 2.2 mp -79.2 2.6 20.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 0.762 . . . . 0.0 109.339 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.559 ' O ' ' CG ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 72.04 -66.26 0.31 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 110.015 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.559 ' CG ' ' O ' ' A' ' 36' ' ' SER . 0.2 OUTLIER 166.74 -28.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.659 ' O ' HG23 ' A' ' 40' ' ' THR . 6.9 mt-10 -83.78 -55.61 4.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 110.274 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 38' ' ' GLU . 1.0 OUTLIER -37.49 96.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.392 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.659 HG23 ' O ' ' A' ' 38' ' ' GLU . 79.3 p -86.12 -159.88 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.417 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.666 ' CG ' HG12 ' A' ' 59' ' ' VAL . 34.2 mt-10 -65.13 -51.38 61.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.16 . . . . 0.0 110.328 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 45' ' ' ARG . 1.6 tt0 -58.11 -69.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 110.322 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 42' ' ' GLU . 4.8 m -38.6 -55.4 1.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 110.02 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.766 HD21 ' CG1' ' A' ' 74' ' ' VAL . 0.9 OUTLIER -51.15 -46.98 62.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.604 ' CG ' HD12 ' A' ' 54' ' ' LEU . 9.2 mtp180 -66.66 -50.71 62.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -46.32 -25.59 0.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.769 ' CD2' HD11 ' A' ' 93' ' ' ILE . 77.3 t80 -92.7 -45.76 7.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.652 ' CZ ' HD12 ' A' ' 32' ' ' ILE . 20.6 m-85 -87.98 20.74 2.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.976 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 45' ' ' ARG . 2.8 mt-10 -99.28 -16.73 18.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.266 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.401 ' CD ' ' O ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -83.36 -7.67 59.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.312 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.623 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 7.9 m0 -105.33 -36.95 7.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 108.023 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.99 166.42 37.59 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.487 1.117 . . . . 0.0 111.042 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.59 109.35 20.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 0.767 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.637 HD13 ' CG1' ' A' ' 74' ' ' VAL . 17.8 mt -69.11 104.27 2.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 75' ' ' THR . 36.0 p -59.92 -14.73 17.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 110.407 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -160.92 117.77 2.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.404 ' O ' ' SG ' ' A' ' 57' ' ' CYS . 27.3 p -122.61 116.6 24.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 108.275 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.8 t -121.75 139.04 50.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.108 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.666 HG12 ' CG ' ' A' ' 41' ' ' GLU . 7.7 p -124.56 112.32 31.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.564 ' HG3' ' CE1' ' A' ' 71' ' ' PHE . 35.4 mmt -64.03 147.15 52.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 111.027 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.415 ' HA ' ' N ' ' A' ' 69' ' ' ARG . 19.3 mtt180 -139.3 132.1 29.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.27 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 66' ' ' LYS . 46.2 m-20 -45.6 124.98 6.22 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.354 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -18.55 18.54 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.48 1.779 . . . . 0.0 110.978 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -97.78 -41.86 7.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.88 -47.86 12.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.977 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER 72.06 26.78 2.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 45.7 mtt-85 -124.95 48.12 2.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 49.2 m 61.15 145.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.039 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.425 ' HG2' ' N ' ' A' ' 62' ' ' ASP . 0.2 OUTLIER -90.63 -41.13 11.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.317 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 115.22 17.81 6.55 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.736 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 1.8 p90 -160.29 152.14 20.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 0.777 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -157.99 -158.46 8.99 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.525 1.141 . . . . 0.0 110.98 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.408 ' HA ' ' O ' ' A' ' 30' ' ' LEU . 3.1 m-85 -132.4 151.07 52.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 0.759 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.766 ' CG1' HD21 ' A' ' 44' ' ' LEU . 28.7 m -134.33 112.5 16.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 55' ' ' THR . 19.9 m -100.5 98.26 8.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.514 1.134 . . . . 0.0 110.387 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.573 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 30.1 m-85 -67.26 172.48 4.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.27 -54.5 6.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.936 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.3 m -112.61 174.05 6.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.984 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.441 ' HA ' ' CG1' ' A' ' 82' ' ' VAL . 0.8 OUTLIER -87.83 -10.91 49.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.34 -59.54 2.7 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 109.339 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.624 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 3.8 mm-40 -48.51 -60.4 2.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.573 ' HB ' ' CD2' ' A' ' 76' ' ' PHE . 6.4 p -49.16 -44.6 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.45 -30.61 65.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.624 ' HB3' ' O ' ' A' ' 81' ' ' GLU . . . -63.72 -60.46 3.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.351 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -45.32 -50.64 11.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.882 ' SD ' HD21 ' A' ' 30' ' ' LEU . 98.8 mmm -47.68 -51.56 21.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 111.025 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -91.52 47.33 1.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -141.77 27.38 1.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.486 ' HA ' ' C ' ' A' ' 90' ' ' PRO . 0.5 OUTLIER -82.84 158.79 64.54 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.486 ' C ' ' HA ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -75.03 -174.91 14.99 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 121.016 -2.493 . . . . 0.0 111.001 0.02 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.623 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 18.8 m170 -127.06 136.93 52.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.581 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.532 ' O ' ' CE1' ' A' ' 47' ' ' TYR . 4.6 p -127.88 114.75 17.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.971 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.769 HD11 ' CD2' ' A' ' 47' ' ' TYR . 15.9 mt -134.61 150.6 30.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.1 t0 62.93 14.31 7.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.9 12.21 81.57 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.479 1.112 . . . . 0.0 110.96 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.444 ' HD3' ' CB ' ' A' ' 36' ' ' SER . 7.0 ptm180 -127.75 168.15 15.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 72.7 t -88.53 116.5 30.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.61 HG12 ' O ' ' A' ' 34' ' ' GLY . 1.5 m -99.16 -173.17 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.354 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.421 ' N ' HG23 ' A' ' 98' ' ' VAL . 5.9 pt-20 -159.19 109.39 1.54 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 110.266 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 162.43 37.19 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.458 1.767 . . . . 0.0 111.004 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.401 ' HD2' ' CD1' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -141.91 140.67 32.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.273 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 68.5 mtt180 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.433 ' NZ ' ' CD1' ' A' ' 73' ' ' PHE . 0.5 OUTLIER -90.53 114.44 26.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.543 HD22 HG23 ' A' ' 82' ' ' VAL . 10.7 mp -107.06 136.38 47.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.738 ' CE2' ' CD1' ' A' ' 71' ' ' PHE . 23.0 t80 -93.13 109.49 20.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.989 HG21 HD11 ' A' ' 44' ' ' LEU . 15.8 mm -78.71 126.7 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.96 112.57 1.49 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.886 ' O ' HG12 ' A' ' 98' ' ' VAL . . . 123.91 36.74 0.61 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.688 HD13 ' HA ' ' A' ' 71' ' ' PHE . 5.5 mp -77.37 -8.79 58.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 0.78 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.538 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER 65.91 9.98 6.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.988 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.538 ' CG ' ' C ' ' A' ' 36' ' ' SER . 2.5 m-85 75.43 -2.25 2.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.143 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.463 ' O ' HG23 ' A' ' 40' ' ' THR . 4.2 mt-10 -101.2 -52.06 3.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.468 HG22 ' O ' ' A' ' 39' ' ' THR . 0.9 OUTLIER -49.98 97.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.442 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.463 HG23 ' O ' ' A' ' 38' ' ' GLU . 18.6 p -82.01 -172.67 4.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.395 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -54.05 -55.8 24.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.327 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -56.02 -70.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.327 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.5 m -38.24 -58.35 0.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 110.032 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.989 HD11 HG21 ' A' ' 32' ' ' ILE . 13.6 tp -45.75 -60.36 2.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.524 ' HG2' HD12 ' A' ' 54' ' ' LEU . 14.7 mtp180 -56.56 -50.0 73.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.173 . . . . 0.0 110.306 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 45' ' ' ARG . 5.6 t30 -40.25 -29.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.59 ' CE1' ' O ' ' A' ' 92' ' ' SER . 65.7 t80 -94.37 -43.4 8.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.761 ' CZ ' HD12 ' A' ' 32' ' ' ILE . 41.8 m-85 -87.1 21.96 2.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 45' ' ' ARG . 2.1 mt-10 -99.08 -17.23 18.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.246 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -74.45 -61.87 1.72 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.607 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 7.6 m-90 -51.31 -40.62 59.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 107.999 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 48' ' ' TYR . . . -175.86 170.62 43.6 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.08 127.3 37.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 0.732 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.57 HD11 ' CB ' ' A' ' 48' ' ' TYR . 10.5 mt -81.71 110.23 16.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 75' ' ' THR . 34.2 p -59.43 -21.14 59.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 110.398 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -160.9 127.08 3.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.544 ' SG ' HD23 ' A' ' 44' ' ' LEU . 8.4 t -128.29 122.37 31.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 108.311 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.3 t -127.33 139.53 51.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.3 p -124.26 118.54 54.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.335 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.567 ' HG3' ' CE1' ' A' ' 71' ' ' PHE . 34.5 mmt -68.57 142.85 55.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.5 mtp180 -136.7 137.74 40.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.256 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 66' ' ' LYS . 1.6 t0 -53.56 124.34 40.93 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -13.5 21.44 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.514 1.797 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -104.73 -43.23 5.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.76 -17.17 42.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.999 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 62' ' ' ASP . 6.2 mmtt 56.31 38.15 29.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.59 144.73 42.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.46 130.73 5.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -66.13 -27.44 68.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.257 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 108.14 17.5 10.8 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.738 ' CD1' ' CE2' ' A' ' 31' ' ' PHE . 4.7 p90 -161.05 154.75 22.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 0.774 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -156.72 -161.25 10.62 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.472 1.107 . . . . 0.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.433 ' CD1' ' NZ ' ' A' ' 29' ' ' LYS . 8.7 m-85 -131.59 144.92 51.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 0.744 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.558 ' CG1' HD13 ' A' ' 54' ' ' LEU . 27.4 m -131.97 115.96 28.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 55' ' ' THR . 12.9 m -101.12 98.96 9.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 110.411 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.52 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 17.4 m-85 -65.26 156.59 31.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.415 ' HA ' ' CG2' ' A' ' 55' ' ' THR . 1.0 OUTLIER -69.76 -51.45 33.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.001 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 t -111.62 175.69 5.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.009 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.461 ' O ' ' CG1' ' A' ' 82' ' ' VAL . 0.6 OUTLIER -87.39 -30.19 20.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.963 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.11 -62.55 1.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -42.96 -62.45 1.02 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.543 HG23 HD22 ' A' ' 30' ' ' LEU . 7.4 p -51.23 -43.45 28.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.342 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.13 -37.43 66.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.577 ' O ' ' HB2' ' A' ' 88' ' ' ALA . . . -70.76 -41.07 72.24 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.52 1.137 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.09 -29.34 69.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.358 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.411 ' HG2' HD21 ' A' ' 30' ' ' LEU . 1.1 mtp -67.28 -39.12 86.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.997 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -110.85 38.94 2.36 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.15 . . . . 0.0 109.307 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.577 ' HB2' ' O ' ' A' ' 84' ' ' ALA . . . -111.05 -23.81 10.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.501 ' HA ' ' C ' ' A' ' 90' ' ' PRO . 0.1 OUTLIER -42.0 154.35 0.26 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -75.05 155.1 99.93 Favored 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 120.987 -2.506 . . . . 0.0 111.045 0.02 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.607 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 8.0 m170 -103.0 118.98 38.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.63 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.59 ' O ' ' CE1' ' A' ' 47' ' ' TYR . 74.7 p -106.82 125.53 51.13 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.507 1.129 . . . . 0.0 110.047 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.561 HG12 ' CD2' ' A' ' 47' ' ' TYR . 12.7 mt -134.51 123.7 43.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 59.28 29.99 19.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 109.273 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.43 -8.77 60.55 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.488 1.118 . . . . 0.0 110.987 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.447 ' O ' ' HA ' ' A' ' 92' ' ' SER . 0.0 OUTLIER -80.48 158.46 25.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.776 . . . . 0.0 110.32 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 99.3 t -105.84 84.58 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.886 HG12 ' O ' ' A' ' 34' ' ' GLY . 1.1 m -83.58 170.54 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -151.52 111.2 2.98 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.287 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.466 ' HD2' ' CD ' ' A' ' 89' ' ' ARG . 18.2 Cg_endo -75.01 157.72 42.56 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.518 1.799 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.4 mmmt -134.44 160.21 38.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.43 ' O ' HG23 ' A' ' 75' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.267 -0.271 . . . . 0.0 110.267 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.442 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -125.69 121.82 34.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.6 HD22 HG23 ' A' ' 82' ' ' VAL . 6.7 mp -119.18 149.21 42.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.589 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 20.9 t80 -109.8 104.59 13.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 111.027 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.661 HG22 HD21 ' A' ' 35' ' ' LEU . 5.6 mm -82.19 131.66 33.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.55 142.0 13.27 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.488 1.117 . . . . 0.0 110.973 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.51 ' O ' HG12 ' A' ' 98' ' ' VAL . . . 87.77 58.8 1.77 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.661 HD21 HG22 ' A' ' 32' ' ' ILE . 7.0 mt -95.95 8.83 42.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 0.796 . . . . 0.0 109.345 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.569 ' O ' ' CG ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 76.26 -69.91 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.047 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.569 ' CG ' ' O ' ' A' ' 36' ' ' SER . 0.2 OUTLIER 159.86 -25.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 39' ' ' THR . 0.0 OUTLIER -85.66 -49.48 7.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 110.256 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.407 ' CG2' HD13 ' A' ' 35' ' ' LEU . 1.0 OUTLIER -36.88 99.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.387 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 41' ' ' GLU . 0.7 OUTLIER -84.55 160.98 20.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 110.388 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.515 ' HG3' HG12 ' A' ' 59' ' ' VAL . 1.2 tt0 -37.54 -66.42 0.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -48.16 -59.09 3.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.105 . . . . 0.0 110.264 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.8 m -40.74 -56.83 2.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.955 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.508 HD13 ' CD1' ' A' ' 35' ' ' LEU . 7.1 tp -49.08 -52.73 23.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.519 ' CG ' HD12 ' A' ' 54' ' ' LEU . 14.9 mtp180 -55.52 -49.96 71.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -47.93 -25.8 1.48 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.823 ' CD2' HD11 ' A' ' 93' ' ' ILE . 18.4 t80 -91.76 -45.34 8.47 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.49 1.119 . . . . 0.0 111.031 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.471 ' CB ' HD11 ' A' ' 54' ' ' LEU . 21.5 m-85 -89.47 23.08 2.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.137 . . . . 0.0 111.013 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 45' ' ' ARG . 1.4 mt-10 -99.32 -22.28 15.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.424 ' HG2' ' N ' ' A' ' 51' ' ' TRP . 0.4 OUTLIER -76.05 -30.8 58.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.638 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 7.8 m0 -79.34 -38.65 34.64 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -179.56 155.57 16.06 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 111.027 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.12 118.11 19.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 0.793 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.519 HD12 ' CG ' ' A' ' 45' ' ' ARG . 11.1 mt -77.0 105.05 7.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 73.2 p -63.89 -28.74 70.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.431 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -146.71 115.85 6.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 43.1 t -127.76 127.13 43.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 108.292 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.0 t -127.06 131.31 70.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.515 HG12 ' HG3' ' A' ' 41' ' ' GLU . 10.8 p -114.26 113.86 45.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.579 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 33.6 mmt -68.77 145.92 53.36 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.5 mtt85 -126.4 161.81 27.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.322 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.474 ' HB3' ' CB ' ' A' ' 65' ' ' SER . 7.5 t0 -72.9 128.33 88.22 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -11.21 21.43 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.515 1.797 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -107.57 -36.1 6.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.474 ' CB ' ' HB3' ' A' ' 62' ' ' ASP . 0.1 OUTLIER -85.57 -40.73 15.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.983 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 62' ' ' ASP . 21.8 mttp 67.68 40.07 2.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -127.31 -73.24 0.61 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.28 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 m -164.81 144.47 7.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.981 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.1 -28.09 20.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 95.98 18.19 32.66 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.451 1.094 . . . . 0.0 111.027 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.602 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.2 OUTLIER -160.27 150.95 18.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 0.741 . . . . 0.0 110.97 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -162.17 -159.75 10.49 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.475 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 1.5 m-85 -127.8 143.37 51.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 0.804 . . . . 0.0 111.005 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.501 ' CG1' HD21 ' A' ' 44' ' ' LEU . 21.1 m -124.62 110.58 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.43 HG23 ' O ' ' A' ' 28' ' ' ARG . 12.9 m -96.28 103.39 15.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.352 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.562 ' CE2' ' HA ' ' A' ' 82' ' ' VAL . 28.3 m-85 -68.95 167.77 15.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 111.037 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.4 t -79.49 -49.83 11.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.033 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.55 173.91 6.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 109.991 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.428 ' HA ' ' CG1' ' A' ' 82' ' ' VAL . 0.3 OUTLIER -83.68 -17.74 40.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.984 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.69 -60.87 2.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.607 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 1.3 mt-10 -45.69 -61.68 1.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.108 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.6 HG23 HD22 ' A' ' 30' ' ' LEU . 6.0 p -47.02 -49.37 7.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.411 ' N ' HG13 ' A' ' 82' ' ' VAL . 0.2 OUTLIER -53.06 -33.43 51.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.607 ' HB3' ' O ' ' A' ' 81' ' ' GLU . . . -65.94 -63.33 1.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -43.08 -46.84 5.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.423 ' HG2' HD21 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -51.82 -45.38 63.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -104.38 50.71 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -138.74 30.03 2.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.501 ' CB ' ' HA ' ' A' ' 90' ' ' PRO . 7.4 mtm180 -89.19 160.94 41.8 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.279 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.501 ' HA ' ' CB ' ' A' ' 89' ' ' ARG . 18.4 Cg_endo -74.99 -174.29 13.85 Favored 'Cis proline' 0 C--N 1.359 1.131 0 C-N-CA 120.979 -2.509 . . . . 0.0 111.009 -0.039 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.638 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 23.1 m170 -129.34 124.56 34.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.549 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' A' ' 96' ' ' ARG . 8.8 p -114.9 115.62 27.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 110.032 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.823 HD11 ' CD2' ' A' ' 47' ' ' TYR . 9.4 mt -136.89 142.01 39.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.0 t0 65.47 16.11 10.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.145 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.98 5.44 89.31 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.53 1.143 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.494 ' CZ ' ' HB2' ' A' ' 96' ' ' ARG . 0.1 OUTLIER -113.9 169.64 8.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 0.759 . . . . 0.0 110.257 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.43 ' O ' ' NH2' ' A' ' 96' ' ' ARG . 62.2 t -98.38 98.49 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.51 HG12 ' O ' ' A' ' 34' ' ' GLY . 3.0 m -75.02 -174.74 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -158.52 109.35 1.66 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 155.17 42.82 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.522 1.801 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 21.3 mttp -142.14 160.61 39.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.308 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.3 mtt180 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.71 114.66 16.26 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.682 HD22 HG23 ' A' ' 82' ' ' VAL . 5.8 mp -107.95 155.77 19.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.8 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 35.0 t80 -112.84 103.81 11.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 110.979 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.67 HG22 HD21 ' A' ' 35' ' ' LEU . 9.1 mm -77.65 130.6 36.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.1 134.26 8.56 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.449 1.093 . . . . 0.0 111.038 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.774 ' O ' HG12 ' A' ' 98' ' ' VAL . . . 89.93 72.29 1.26 Allowed Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.67 HD21 HG22 ' A' ' 32' ' ' ILE . 5.7 mt -104.81 -1.15 26.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 0.769 . . . . 0.0 109.32 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.539 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 0.3 OUTLIER 65.12 8.98 5.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.981 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.539 ' CG ' ' C ' ' A' ' 36' ' ' SER . 3.2 m-85 74.04 -2.01 2.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 40' ' ' THR . 9.2 mt-10 -98.04 -67.85 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.473 HG22 ' HB2' ' A' ' 44' ' ' LEU . 1.4 m -37.99 97.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.455 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.438 ' N ' ' O ' ' A' ' 38' ' ' GLU . 70.9 p -79.33 -172.51 3.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.407 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.435 ' CG ' HG12 ' A' ' 59' ' ' VAL . 51.6 mt-10 -56.31 -51.27 68.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 110.307 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 43' ' ' SER . 3.9 tt0 -65.22 -67.86 0.41 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 110.321 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 42' ' ' GLU . 13.9 m -37.91 -41.35 0.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.155 . . . . 0.0 109.97 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.659 HD21 ' CG1' ' A' ' 74' ' ' VAL . 1.5 tp -64.76 -63.23 1.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.485 ' CG ' HD12 ' A' ' 54' ' ' LEU . 9.9 mtp180 -47.6 -46.83 28.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 110.262 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -44.09 -27.12 0.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.812 ' CD2' HD11 ' A' ' 93' ' ' ILE . 45.6 t80 -94.47 -45.6 7.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.653 ' CB ' HD11 ' A' ' 54' ' ' LEU . 81.5 m-85 -87.88 23.16 2.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.974 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 45' ' ' ARG . 3.9 mt-10 -99.46 -18.69 17.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 110.279 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -72.24 -58.49 3.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 110.273 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.535 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 6.8 m-90 -54.7 -44.39 73.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 108.012 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -169.63 163.44 36.97 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.01 114.27 24.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 0.747 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.723 HD13 ' CG1' ' A' ' 74' ' ' VAL . 14.9 mt -70.38 106.87 3.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 75' ' ' THR . 3.4 p -56.88 -21.12 27.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.401 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -160.84 126.16 3.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.352 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 30.8 p -127.29 120.0 27.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 108.312 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.8 t -122.13 141.58 41.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.485 HG13 ' O ' ' A' ' 59' ' ' VAL . 13.4 p -124.3 112.9 34.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.303 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.58 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 33.7 mmt -64.3 155.29 32.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.1 mtt85 -140.05 137.71 34.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.317 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.53 126.64 1.83 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -16.41 20.2 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.447 1.761 . . . . 0.0 110.972 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -104.58 -46.21 4.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.83 -31.95 61.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.003 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 58.03 36.26 25.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 28.5 mtt-85 -117.46 -72.63 0.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.563 1.164 . . . . 0.0 110.288 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.9 m -174.94 135.71 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.044 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.5 mtm180 -84.07 -39.83 19.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 106.9 22.66 7.49 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.469 1.106 . . . . 0.0 111.03 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.8 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 0.4 OUTLIER -157.44 151.2 24.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 0.0 110.963 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -158.33 -161.89 11.38 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.4 ' HA ' ' O ' ' A' ' 30' ' ' LEU . 4.6 m-85 -126.39 150.31 48.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 0.763 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.723 ' CG1' HD13 ' A' ' 54' ' ' LEU . 4.1 m -134.62 107.93 9.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 55' ' ' THR . 6.7 m -95.17 100.82 12.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 110.444 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.552 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 22.0 m-85 -67.42 172.86 4.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.1 t -87.81 -40.0 14.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.037 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.83 165.27 15.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 0.0 110.041 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.404 ' HA ' ' CG1' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -80.97 -23.59 38.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.981 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.8 -60.57 2.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.319 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.586 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 22.2 mt-10 -44.78 -60.52 1.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.682 HG23 HD22 ' A' ' 30' ' ' LEU . 6.1 p -47.83 -47.0 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.168 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -54.4 -37.51 65.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.586 ' HB3' ' O ' ' A' ' 81' ' ' GLU . . . -57.98 -66.25 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -40.18 -53.36 2.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.497 ' SD ' ' CD2' ' A' ' 30' ' ' LEU . 95.6 mmm -48.31 -54.01 15.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.425 1.078 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.41 47.59 1.5 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.525 ' O ' ' CD2' ' A' ' 91' ' ' HIS . . . -148.67 57.63 1.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.487 ' HA ' ' C ' ' A' ' 90' ' ' PRO . 11.0 mtm-85 -106.47 155.7 38.32 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 110.313 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.487 ' C ' ' HA ' ' A' ' 89' ' ' ARG . 18.4 Cg_endo -75.0 -167.85 6.0 Favored 'Cis proline' 0 C--N 1.359 1.13 0 C-N-CA 121.056 -2.477 . . . . 0.0 110.993 0.05 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.535 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 0.8 OUTLIER -128.64 115.66 18.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.609 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.496 ' O ' ' CE1' ' A' ' 47' ' ' TYR . 81.1 p -109.47 120.48 42.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.978 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.812 HD11 ' CD2' ' A' ' 47' ' ' TYR . 33.2 mt -137.15 133.39 47.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 56.5 25.68 10.02 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 74.72 25.55 69.48 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.54 1.15 . . . . 0.0 110.972 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.475 ' HG3' ' CB ' ' A' ' 36' ' ' SER . 0.4 OUTLIER -119.42 144.69 46.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 0.772 . . . . 0.0 110.292 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.413 ' O ' HG12 ' A' ' 97' ' ' VAL . 73.4 t -86.19 76.01 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 109.235 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.774 HG12 ' O ' ' A' ' 34' ' ' GLY . 2.4 m -73.9 167.9 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -148.61 112.46 3.69 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.424 ' HG3' ' ND1' ' A' ' 91' ' ' HIS . 18.3 Cg_endo -75.02 157.16 42.84 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.465 1.771 . . . . 0.0 110.975 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -142.29 178.25 7.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 179.992 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.606 ' CZ ' ' CE ' ' A' ' 79' ' ' MET . 5.3 mmp_? . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.0 ttpt -130.75 115.96 17.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.41 ' N ' ' CD1' ' A' ' 30' ' ' LEU . 0.4 OUTLIER -108.09 134.59 50.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.763 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 10.7 t80 -94.33 102.7 14.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 111.012 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.587 HD11 ' CG2' ' A' ' 74' ' ' VAL . 3.4 mm -76.94 134.46 28.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.29 126.64 5.82 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.468 1.105 . . . . 0.0 110.966 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.615 ' O ' HG12 ' A' ' 98' ' ' VAL . . . 90.57 78.02 1.35 Allowed Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.57 HD21 HG22 ' A' ' 32' ' ' ILE . 4.8 mt -104.84 1.14 28.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 0.0 109.304 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.515 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 78.38 -1.34 2.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 0.0 110.047 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.515 ' CG ' ' C ' ' A' ' 36' ' ' SER . 1.2 m-85 75.59 -2.33 2.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 40' ' ' THR . 0.6 OUTLIER -105.99 -63.88 1.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 0.0 110.27 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.684 HG21 HG21 ' A' ' 93' ' ' ILE . 2.2 m -38.37 97.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.357 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.43 ' N ' ' O ' ' A' ' 38' ' ' GLU . 36.7 p -68.33 -174.66 0.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 110.398 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.712 ' CG ' HG12 ' A' ' 59' ' ' VAL . 67.2 mt-10 -57.6 -49.73 75.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 110.294 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 45' ' ' ARG . 4.2 tt0 -65.6 -60.75 2.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.297 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.9 m -43.76 -29.47 0.53 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.016 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.564 HD21 ' CG1' ' A' ' 74' ' ' VAL . 0.4 OUTLIER -80.1 -43.52 21.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.276 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.957 ' HG2' HD12 ' A' ' 54' ' ' LEU . 22.0 mtm180 -62.42 -44.84 95.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.454 ' ND2' ' C ' ' A' ' 46' ' ' ASN . 0.8 OUTLIER -47.48 -27.21 1.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.793 ' CD2' HD11 ' A' ' 93' ' ' ILE . 75.1 t80 -91.53 -47.25 7.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.598 ' CB ' HD11 ' A' ' 54' ' ' LEU . 53.3 m-85 -89.29 26.68 1.59 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.965 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 45' ' ' ARG . 1.6 mt-10 -98.95 -13.7 19.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.459 ' CG ' ' N ' ' A' ' 51' ' ' TRP . 20.6 pt20 -82.92 -47.55 11.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.619 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 5.4 m-90 -65.26 -13.68 58.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 108.019 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 158.36 161.34 10.94 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.435 1.084 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.16 104.05 16.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 0.748 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.957 HD12 ' HG2' ' A' ' 45' ' ' ARG . 26.2 mt -59.08 115.02 2.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.438 ' H ' ' HG1' ' A' ' 55' ' ' THR . 62.4 p -72.14 -29.57 64.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.353 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -145.25 118.07 8.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 30.5 p -122.9 116.55 23.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.565 1.165 . . . . 0.0 108.324 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 8.1 t -123.66 140.86 45.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.16 . . . . 0.0 109.27 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.712 HG12 ' CG ' ' A' ' 41' ' ' GLU . 11.6 p -124.65 116.66 48.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.577 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 34.0 mmt -69.77 141.3 53.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 -133.87 153.56 51.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 110.307 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.443 ' CB ' ' HB2' ' A' ' 65' ' ' SER . 40.3 m-20 -61.65 132.89 93.28 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -20.1 17.25 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.519 1.8 . . . . 0.0 110.977 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -105.19 -43.8 4.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.443 ' HB2' ' CB ' ' A' ' 62' ' ' ASP . 0.1 OUTLIER -73.76 -32.82 64.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.981 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.68 11.89 7.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.3 134.26 55.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.337 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 42.0 m -39.17 132.74 1.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.983 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -72.37 -32.07 66.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 34' ' ' GLY . . . 112.78 25.12 4.67 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.534 1.146 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.763 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -160.08 145.01 14.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 0.738 . . . . 0.0 110.976 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -156.48 -159.05 9.18 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -128.64 149.38 50.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 0.767 . . . . 0.0 110.961 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.638 ' CG1' HD13 ' A' ' 54' ' ' LEU . 3.7 m -134.15 111.8 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 28' ' ' ARG . 3.5 m -96.67 107.96 20.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.105 . . . . 0.0 110.422 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.583 ' CB ' HG12 ' A' ' 82' ' ' VAL . 13.4 m-85 -74.02 172.9 10.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.6 -48.62 6.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.045 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.417 ' CB ' ' HG2' ' A' ' 81' ' ' GLU . 0.1 OUTLIER -96.19 170.65 9.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 110.002 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.606 ' CE ' ' CZ ' ' A' ' 28' ' ' ARG . 0.7 OUTLIER -88.12 -16.12 34.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -90.43 -29.25 18.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.565 ' HB3' ' CD1' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -63.55 -24.78 67.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.583 HG12 ' CB ' ' A' ' 76' ' ' PHE . 2.0 m -91.73 -44.48 14.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.75 -24.04 63.72 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 87' ' ' ALA . . . -74.23 -67.73 0.59 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -41.78 -45.59 3.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.424 ' CE ' ' HG3' ' A' ' 102' ' ' ARG . 0.7 OUTLIER -48.82 -42.8 37.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 110.996 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . -109.43 48.96 0.85 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.554 ' O ' ' CD2' ' A' ' 91' ' ' HIS . . . -133.56 41.98 3.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.479 ' CB ' ' HA ' ' A' ' 90' ' ' PRO . 0.4 OUTLIER -95.99 159.84 31.36 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.129 . . . . 0.0 110.27 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.479 ' HA ' ' CB ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -74.99 -174.89 14.94 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 120.985 -2.506 . . . . 0.0 111.036 -0.035 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.624 ' O ' HG22 ' A' ' 98' ' ' VAL . 6.9 m170 -130.99 114.78 15.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.594 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.449 ' O ' HD13 ' A' ' 93' ' ' ILE . 85.3 p -101.67 125.34 48.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 110.023 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.793 HD11 ' CD2' ' A' ' 47' ' ' TYR . 21.7 mm -133.53 123.25 45.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 22.9 t0 67.53 9.27 6.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 101.7 -14.75 57.54 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.503 1.127 . . . . 0.0 110.961 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 96' ' ' ARG . 0.0 OUTLIER -86.81 166.28 15.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.773 . . . . 0.0 110.287 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 79.1 t -99.6 102.41 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.624 HG22 ' O ' ' A' ' 91' ' ' HIS . 2.7 m -84.12 -174.28 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -158.86 109.3 1.6 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 153.47 41.65 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.509 1.794 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -139.9 172.81 12.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.424 ' HG3' ' CE ' ' A' ' 86' ' ' MET . 6.2 mtt180 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.338 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.555 ' O ' HG23 ' A' ' 75' ' ' THR . 3.9 mtp180 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.575 ' HE3' ' CD2' ' A' ' 73' ' ' PHE . 24.1 tttt -138.66 132.26 30.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.452 HD13 ' CG2' ' A' ' 82' ' ' VAL . 6.9 mp -123.42 157.62 33.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.79 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 14.0 t80 -111.76 101.89 10.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.735 HD11 ' CG2' ' A' ' 74' ' ' VAL . 4.1 mm -74.9 135.07 28.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.43 136.88 9.52 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.513 1.133 . . . . 0.0 111.031 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 70' ' ' GLY . . . 82.28 74.65 1.17 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.606 HD21 HG22 ' A' ' 32' ' ' ILE . 9.5 mt -102.66 -0.68 31.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 0.772 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.539 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 6.7 t 68.14 -0.35 2.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.962 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.539 ' CG ' ' C ' ' A' ' 36' ' ' SER . 1.7 m-85 69.09 -1.1 2.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -111.53 24.01 13.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.45 ' CG2' ' HB2' ' A' ' 44' ' ' LEU . 1.1 m -124.17 113.99 19.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.432 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 57.1 p -85.45 157.87 20.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.424 1.078 . . . . 0.0 110.415 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.701 ' CG ' HG12 ' A' ' 59' ' ' VAL . 60.0 mt-10 -41.31 -46.72 3.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.128 . . . . 0.0 110.288 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -63.71 -68.0 0.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.291 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.6 m -40.53 -34.37 0.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.999 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.451 HD21 ' CG1' ' A' ' 74' ' ' VAL . 0.2 OUTLIER -74.49 -57.51 3.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 109.333 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.88 ' HG2' HD12 ' A' ' 54' ' ' LEU . 5.3 mtp180 -48.93 -45.02 41.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 110.332 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -49.77 -26.17 3.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.267 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -87.18 -47.22 9.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 110.993 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.671 ' HB2' HD11 ' A' ' 54' ' ' LEU . 71.7 m-85 -90.93 24.06 2.92 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.5 1.125 . . . . 0.0 110.955 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 45' ' ' ARG . 1.4 mt-10 -99.15 -22.79 15.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.15 . . . . 0.0 110.338 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -76.0 -30.96 58.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 110.274 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.652 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 8.0 m0 -78.62 -43.83 25.38 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -170.91 153.78 21.47 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.543 1.152 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.42 113.36 13.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 0.747 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.88 HD12 ' HG2' ' A' ' 45' ' ' ARG . 19.3 mt -74.31 115.96 14.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.6 p -74.25 -29.93 61.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 110.427 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -143.17 118.48 10.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 8.7 p -128.01 118.55 23.73 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 108.323 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 8.5 t -124.58 140.82 46.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 109.27 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.701 HG12 ' CG ' ' A' ' 41' ' ' GLU . 9.8 p -124.41 120.33 58.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.584 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 35.1 mmt -73.1 150.33 42.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.418 ' HA ' ' N ' ' A' ' 69' ' ' ARG . 34.4 mtt180 -130.55 141.8 50.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.257 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -41.82 139.65 1.57 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -11.05 21.42 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.522 1.801 . . . . 0.0 110.974 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -111.65 -49.81 2.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.05 -44.18 55.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.977 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.22 25.75 5.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -129.99 77.29 1.78 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.405 ' C ' ' HA ' ' A' ' 61' ' ' ARG . 18.2 m 61.56 137.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.978 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -100.7 -23.07 14.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 34' ' ' GLY . . . 106.09 9.06 32.8 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.449 1.093 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.79 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -158.96 149.02 19.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 0.783 . . . . 0.0 110.989 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -156.05 -160.62 10.12 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.537 1.148 . . . . 0.0 110.954 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.575 ' CD2' ' HE3' ' A' ' 29' ' ' LYS . 5.7 m-85 -128.92 147.21 50.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.735 ' CG2' HD11 ' A' ' 32' ' ' ILE . 13.6 m -131.91 121.1 46.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.555 HG23 ' O ' ' A' ' 28' ' ' ARG . 5.4 m -107.48 105.02 14.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 110.395 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.569 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 57.3 m-85 -71.89 179.74 3.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.4 t -90.64 -48.27 7.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.981 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.2 m -117.92 167.98 10.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.107 . . . . 0.0 109.991 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.465 ' HA ' ' CG1' ' A' ' 82' ' ' VAL . 0.2 OUTLIER -80.53 -17.15 52.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.91 -56.12 5.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.509 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 41.8 mt-10 -51.09 -58.66 5.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.276 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.569 ' HB ' ' CD2' ' A' ' 76' ' ' PHE . 7.1 p -52.75 -41.05 37.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.28 -32.77 70.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 81' ' ' GLU . . . -65.78 -57.08 8.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -47.63 -48.62 28.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.2 mtp -49.92 -38.84 38.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -108.58 48.7 0.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.478 ' O ' ' CD2' ' A' ' 91' ' ' HIS . . . -137.62 35.68 2.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.481 ' HA ' ' C ' ' A' ' 90' ' ' PRO . 4.6 mtm-85 -90.94 159.55 39.88 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.318 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.481 ' C ' ' HA ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -75.05 -176.85 18.94 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 120.958 -2.517 . . . . 0.0 111.006 0.009 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.652 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 13.0 m170 -125.75 117.01 22.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.113 . . . . 0.0 109.563 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.4 p -108.26 116.07 31.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.032 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.542 ' HB ' HG11 ' A' ' 98' ' ' VAL . 10.4 mt -137.01 142.83 36.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 38.6 t70 63.46 13.84 7.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 85.68 5.09 84.68 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.495 ' CZ ' ' HB2' ' A' ' 96' ' ' ARG . 0.1 OUTLIER -112.65 168.5 9.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 0.793 . . . . 0.0 110.29 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 66.3 t -97.02 92.81 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.542 HG11 ' HB ' ' A' ' 93' ' ' ILE . 1.5 m -73.84 -175.76 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.405 ' OE1' ' C ' ' A' ' 98' ' ' VAL . 1.7 pm0 -158.35 109.71 1.69 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 110.313 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 153.72 42.1 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.529 1.805 . . . . 0.0 111.054 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.0 mmmt -138.48 166.16 25.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.253 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 -179.967 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.57 114.68 23.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.432 HD13 ' CG2' ' A' ' 82' ' ' VAL . 9.2 mp -109.43 137.94 46.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.649 ' CE2' ' CD1' ' A' ' 71' ' ' PHE . 29.2 t80 -96.73 110.56 22.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.638 HG22 HD21 ' A' ' 35' ' ' LEU . 8.3 mm -81.5 130.73 35.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.3 132.57 9.39 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 70' ' ' GLY . . . 82.83 74.94 1.18 Allowed Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.638 HD21 HG22 ' A' ' 32' ' ' ILE . 6.8 mt -99.01 0.87 44.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 0.773 . . . . 0.0 109.266 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.531 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 0.2 OUTLIER 71.95 -3.18 2.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 109.987 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.631 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 0.2 OUTLIER 71.21 -1.06 2.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.417 ' CB ' ' OD2' ' A' ' 94' ' ' ASP . 0.3 OUTLIER -116.52 22.16 12.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.575 1.172 . . . . 0.0 110.284 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.8 107.33 13.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.414 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -85.72 176.22 8.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.429 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.492 ' OE2' ' N ' ' A' ' 59' ' ' VAL . 64.3 mm-40 -51.44 -61.15 2.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.254 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -46.91 -45.65 20.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.319 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 75.7 m -64.09 -53.92 42.13 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.48 1.112 . . . . 0.0 109.988 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.714 HD21 ' CG1' ' A' ' 74' ' ' VAL . 1.1 tp -57.56 -39.66 77.18 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.471 ' O ' ' N ' ' A' ' 49' ' ' GLU . 1.3 mtm105 -69.15 -54.7 13.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -45.59 -25.92 0.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.744 ' CE2' HD11 ' A' ' 93' ' ' ILE . 87.3 t80 -88.84 -50.81 5.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.575 ' CB ' HD11 ' A' ' 54' ' ' LEU . 29.9 m-85 -88.58 24.44 1.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 45' ' ' ARG . 2.2 mt-10 -99.36 -24.66 14.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.415 ' CD ' ' O ' ' A' ' 47' ' ' TYR . 1.5 pt20 -74.67 -29.98 61.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.316 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.649 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 7.2 m0 -81.38 -36.1 30.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 108.007 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 178.82 163.38 29.89 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.474 1.108 . . . . 0.0 111.015 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.5 113.16 21.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 0.788 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.575 HD11 ' CB ' ' A' ' 48' ' ' TYR . 18.6 mt -69.98 113.01 6.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.423 ' N ' ' O ' ' A' ' 75' ' ' THR . 18.6 p -74.19 -13.29 60.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.417 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -159.39 115.67 2.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.408 ' SG ' ' OE1' ' A' ' 41' ' ' GLU . 28.4 p -128.04 119.86 26.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 108.28 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.2 t -128.97 129.92 68.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.492 ' N ' ' OE2' ' A' ' 41' ' ' GLU . 6.3 p -116.76 115.04 47.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.575 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 33.5 mmt -68.69 144.21 54.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.98 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -125.47 140.22 52.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 110.28 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.469 ' CB ' ' HB2' ' A' ' 65' ' ' SER . 2.9 m-20 -40.2 145.12 0.5 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -27.72 9.87 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.53 1.805 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -113.39 -49.09 2.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.511 ' O ' ' CG ' ' A' ' 67' ' ' ARG . 0.4 OUTLIER -66.44 -23.21 66.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.976 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.487 ' HG3' ' C ' ' A' ' 65' ' ' SER . 0.0 OUTLIER 35.21 33.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.511 ' CG ' ' O ' ' A' ' 65' ' ' SER . 6.0 mtt180 -121.14 46.32 2.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.6 m 71.28 132.71 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 110.019 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.31 -39.73 24.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.328 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 34' ' ' GLY . . . 114.12 13.49 9.95 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.649 ' CD1' ' CE2' ' A' ' 31' ' ' PHE . 0.5 OUTLIER -156.29 149.77 24.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 0.777 . . . . 0.0 110.997 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -156.37 -158.54 8.9 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.4 ' HA ' ' O ' ' A' ' 30' ' ' LEU . 12.7 m-85 -133.92 145.25 49.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 0.752 . . . . 0.0 111.016 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.714 ' CG1' HD21 ' A' ' 44' ' ' LEU . 16.7 m -133.68 114.63 20.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 55' ' ' THR . 1.8 m -105.29 105.63 15.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.367 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.517 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 40.4 m-85 -69.08 170.29 10.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.969 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.04 -41.63 17.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.952 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.6 160.55 21.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.992 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.404 ' O ' ' CG1' ' A' ' 82' ' ' VAL . 2.4 tpt -76.06 -23.01 55.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 110.974 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.76 -61.87 1.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.461 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 1.2 mp0 -43.07 -61.25 1.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.332 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.517 ' HB ' ' CD2' ' A' ' 76' ' ' PHE . 6.3 p -47.89 -37.96 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -62.47 -36.17 81.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 81' ' ' GLU . . . -60.36 -55.6 31.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.25 -42.58 66.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -55.47 -35.1 65.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -116.68 50.12 1.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -139.35 29.85 2.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.509 ' CB ' ' HA ' ' A' ' 90' ' ' PRO . 10.6 mtm180 -86.63 160.9 49.53 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.308 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.509 ' HA ' ' CB ' ' A' ' 89' ' ' ARG . 18.2 Cg_endo -74.97 178.79 33.12 Favored 'Cis proline' 0 C--N 1.359 1.118 0 C-N-CA 121.011 -2.495 . . . . 0.0 111.025 -0.011 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.649 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 9.7 m170 -121.83 128.82 52.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.56 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.404 ' HA ' ' O ' ' A' ' 96' ' ' ARG . 13.4 p -123.22 120.64 33.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.987 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.744 HD11 ' CE2' ' A' ' 47' ' ' TYR . 7.0 mt -137.06 148.72 26.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.417 ' OD2' ' CB ' ' A' ' 38' ' ' GLU . 4.6 t0 62.91 14.64 7.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.98 11.91 80.53 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.132 . . . . 0.0 110.97 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.508 ' CZ ' ' HB2' ' A' ' 96' ' ' ARG . 0.1 OUTLIER -121.63 168.65 11.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 0.75 . . . . 0.0 110.343 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.406 ' O ' ' NH2' ' A' ' 96' ' ' ARG . 47.8 t -94.77 105.95 17.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.477 HG23 ' N ' ' A' ' 99' ' ' GLU . 1.3 m -92.43 -172.05 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.477 ' N ' HG23 ' A' ' 98' ' ' VAL . 2.0 pm0 -158.43 109.46 1.67 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.411 ' HG3' ' ND1' ' A' ' 91' ' ' HIS . 18.3 Cg_endo -74.98 157.27 42.94 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.548 1.815 . . . . 0.0 111.004 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 11.9 mmtm -136.1 152.51 50.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.256 -179.968 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.511 ' O ' HG23 ' A' ' 75' ' ' THR . 89.2 mtt180 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.81 117.11 11.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.627 HD22 HG23 ' A' ' 82' ' ' VAL . 6.3 mp -112.25 162.64 15.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.798 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 33.1 t80 -118.23 101.86 8.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.984 HG21 HD11 ' A' ' 44' ' ' LEU . 15.0 mm -75.64 131.74 34.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -135.22 113.03 1.06 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.673 ' O ' HG12 ' A' ' 98' ' ' VAL . . . 127.19 38.26 0.43 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.775 HD11 HG22 ' A' ' 32' ' ' ILE . 1.3 mp -83.07 7.24 16.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 0.792 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.551 ' O ' ' CG ' ' A' ' 37' ' ' PHE . 0.3 OUTLIER 68.19 -64.43 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.979 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.551 ' CG ' ' O ' ' A' ' 36' ' ' SER . 0.2 OUTLIER 164.0 -27.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 111.033 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.535 ' O ' HG23 ' A' ' 40' ' ' THR . 3.4 tt0 -87.2 -53.12 5.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.348 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.645 ' OG1' HG22 ' A' ' 93' ' ' ILE . 1.2 m -37.91 99.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.391 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.535 HG23 ' O ' ' A' ' 38' ' ' GLU . 81.0 p -84.53 -158.8 0.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.417 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.675 ' CG ' HG12 ' A' ' 59' ' ' VAL . 53.2 mt-10 -67.87 -51.02 53.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.343 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 43' ' ' SER . 23.8 tt0 -63.58 -63.63 1.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.31 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 42' ' ' GLU . 28.8 m -38.63 -42.69 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.009 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.984 HD11 HG21 ' A' ' 32' ' ' ILE . 2.0 tp -70.15 -53.3 17.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.973 ' HG2' HD12 ' A' ' 54' ' ' LEU . 4.6 mtp-105 -53.92 -51.21 64.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.268 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -42.81 -28.08 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.757 ' CD2' HD11 ' A' ' 93' ' ' ILE . 31.8 t80 -94.43 -44.06 8.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.474 ' CB ' HD11 ' A' ' 54' ' ' LEU . 38.2 m-85 -87.26 21.44 2.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 45' ' ' ARG . 3.0 mt-10 -99.71 -43.72 6.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -49.55 -45.5 47.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.248 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.824 ' CZ2' ' HB1' ' A' ' 88' ' ' ALA . 3.8 m-90 -65.1 -45.46 85.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 107.981 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -174.2 153.34 16.5 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.41 120.28 22.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 0.779 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.973 HD12 ' HG2' ' A' ' 45' ' ' ARG . 7.5 mt -78.23 112.54 15.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 75' ' ' THR . 13.6 p -53.53 -26.43 21.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.402 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -161.06 134.21 6.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.431 ' SG ' HD23 ' A' ' 44' ' ' LEU . 35.5 t -128.39 122.41 31.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 108.33 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.4 t -119.16 137.46 53.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.675 HG12 ' CG ' ' A' ' 41' ' ' GLU . 10.4 p -124.75 113.72 37.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.575 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 35.5 mmt -64.07 146.72 53.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 111.026 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.407 ' HA ' ' N ' ' A' ' 69' ' ' ARG . 31.4 mtp180 -130.19 133.78 46.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.419 ' N ' ' HG2' ' A' ' 69' ' ' ARG . 44.0 m-20 -47.1 132.53 9.15 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.235 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -9.11 20.62 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.47 1.774 . . . . 0.0 110.991 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -108.81 -48.37 3.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 m -79.47 -43.91 22.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.006 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.5 mttp 67.92 28.61 6.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.8 mtp180 -126.89 56.96 1.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.272 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.6 m 63.64 131.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 110.037 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.419 ' HG2' ' N ' ' A' ' 62' ' ' ASP . 2.3 mtm180 -80.4 -18.3 49.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 98.1 14.89 37.69 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.798 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 1.8 p90 -160.78 154.14 21.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 0.782 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -161.7 -160.66 11.08 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.532 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 0.5 OUTLIER -127.94 148.92 50.52 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 0.774 . . . . 0.0 111.02 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.605 ' CG1' HD21 ' A' ' 44' ' ' LEU . 18.9 m -128.54 118.4 47.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.511 HG23 ' O ' ' A' ' 28' ' ' ARG . 2.8 m -102.76 100.02 10.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 110.424 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.542 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 11.2 m-85 -68.99 168.97 12.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 111.028 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.21 -51.69 8.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 110.017 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.47 172.16 7.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.982 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.41 ' HA ' ' CG1' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -82.52 -21.87 35.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.979 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.16 -64.13 0.93 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.535 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 2.5 mt-10 -41.93 -62.46 0.91 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.627 HG23 HD22 ' A' ' 30' ' ' LEU . 6.4 p -48.97 -48.83 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.85 -32.61 45.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.535 ' HB3' ' O ' ' A' ' 81' ' ' GLU . . . -70.85 -50.27 37.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.355 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -54.33 -48.4 71.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.325 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.473 ' HG2' HD21 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -48.2 -41.15 26.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 0.0 111.025 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -109.44 50.29 0.79 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.824 ' HB1' ' CZ2' ' A' ' 51' ' ' TRP . . . -131.91 30.08 4.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.497 ' CB ' ' HA ' ' A' ' 90' ' ' PRO . 4.2 mtm180 -89.45 161.15 40.49 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.339 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.497 ' HA ' ' CB ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -75.03 177.58 38.46 Favored 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 120.976 -2.51 . . . . 0.0 111.012 0.025 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.58 ' CD2' ' O ' ' A' ' 88' ' ' ALA . 22.1 m170 -124.57 132.5 53.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.601 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.804 ' O ' HD13 ' A' ' 93' ' ' ILE . 13.9 p -121.2 116.42 24.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.985 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.804 HD13 ' O ' ' A' ' 92' ' ' SER . 5.3 mm -130.7 146.17 34.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 22.7 t70 59.28 16.28 4.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 78.94 24.25 62.29 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.453 1.095 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.401 ' HD2' ' O ' ' A' ' 34' ' ' GLY . 0.0 OUTLIER -132.45 159.93 37.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 0.78 . . . . 0.0 110.3 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 74.6 t -84.35 107.89 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.673 HG12 ' O ' ' A' ' 34' ' ' GLY . 1.1 m -92.88 -168.45 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.588 ' N ' HG23 ' A' ' 98' ' ' VAL . 1.7 mt-10 -157.6 108.97 1.82 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.105 . . . . 0.0 110.271 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.446 ' HG3' ' ND1' ' A' ' 91' ' ' HIS . 18.4 Cg_endo -75.0 141.12 26.25 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.432 1.754 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -134.17 177.67 7.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.4 mtp85 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.571 ' HE2' ' CD1' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -86.06 114.86 23.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.773 HD22 HG23 ' A' ' 82' ' ' VAL . 1.1 mp -100.73 141.37 33.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.675 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 23.3 t80 -100.11 108.51 20.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 111.005 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.472 HG22 HD21 ' A' ' 35' ' ' LEU . 7.1 mm -87.05 129.43 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.5 128.03 6.0 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.464 1.102 . . . . 0.0 110.958 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.727 ' O ' HG12 ' A' ' 98' ' ' VAL . . . 102.41 68.83 0.81 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.551 HD13 HG22 ' A' ' 39' ' ' THR . 12.2 mt -107.7 0.89 22.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 0.763 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.537 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 2.0 t 63.28 10.5 4.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.984 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.537 ' CG ' ' C ' ' A' ' 36' ' ' SER . 3.1 m-85 74.62 -2.16 2.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 39' ' ' THR . 0.9 OUTLIER -94.83 -70.48 0.71 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.551 HG22 HD13 ' A' ' 35' ' ' LEU . 0.9 OUTLIER -36.69 99.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.423 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 38' ' ' GLU . 37.6 p -78.63 -166.91 0.95 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 110.444 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.432 ' CG ' HG12 ' A' ' 59' ' ' VAL . 43.9 mt-10 -61.52 -55.04 35.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 45' ' ' ARG . 2.9 mt-10 -59.24 -63.75 1.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.1 m -39.77 -49.42 2.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 110.016 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.775 HD21 ' CG1' ' A' ' 74' ' ' VAL . 4.9 tp -59.83 -44.9 93.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.481 ' O ' ' N ' ' A' ' 49' ' ' GLU . 5.1 mtm180 -62.63 -58.18 8.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -42.35 -28.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.698 ' CD2' HD11 ' A' ' 93' ' ' ILE . 75.2 t80 -91.45 -47.4 7.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.653 ' CB ' HD11 ' A' ' 54' ' ' LEU . 20.5 m-85 -87.95 23.54 2.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 45' ' ' ARG . 1.8 mt-10 -99.52 -16.22 18.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -71.12 -61.13 1.88 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.657 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 13.6 m-90 -49.79 -45.3 49.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 107.98 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -170.78 170.43 43.15 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.55 1.156 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.15 120.65 29.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 0.77 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.653 HD11 ' CB ' ' A' ' 48' ' ' TYR . 14.5 mt -77.28 116.04 17.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 75' ' ' THR . 33.9 p -74.01 -18.94 60.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.41 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -155.31 119.06 4.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 29.0 p -125.45 117.3 23.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 108.304 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.8 t -126.77 141.04 47.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.473 HG13 ' O ' ' A' ' 59' ' ' VAL . 14.8 p -123.88 113.02 35.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.572 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 34.9 mmt -64.75 152.89 41.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.412 ' HA ' ' N ' ' A' ' 69' ' ' ARG . 33.9 mtt180 -140.1 159.18 42.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.467 ' CB ' ' HB2' ' A' ' 65' ' ' SER . 38.4 m-20 -67.06 128.08 93.72 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -20.66 16.53 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.479 1.778 . . . . 0.0 110.993 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -95.55 -43.26 8.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.467 ' HB2' ' CB ' ' A' ' 62' ' ' ASP . 0.3 OUTLIER -77.38 -44.87 27.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.007 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 76.32 32.57 0.58 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.4 mtt85 -115.08 -87.6 0.59 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.535 1.147 . . . . 0.0 110.26 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.69 149.36 20.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.0 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.412 ' N ' ' HA ' ' A' ' 61' ' ' ARG . 0.7 OUTLIER -91.52 -27.7 18.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.323 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.94 16.21 36.6 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.675 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 1.1 p90 -156.98 153.44 28.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 0.746 . . . . 0.0 110.962 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -160.6 -164.47 15.63 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.468 1.105 . . . . 0.0 110.988 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.571 ' CD1' ' HE2' ' A' ' 29' ' ' LYS . 4.5 m-85 -123.94 154.98 38.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 0.739 . . . . 0.0 111.025 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.775 ' CG1' HD21 ' A' ' 44' ' ' LEU . 18.1 m -144.28 108.07 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 55' ' ' THR . 3.2 m -94.58 106.74 18.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.385 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.529 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 24.5 m-85 -73.07 172.27 11.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.57 -34.32 27.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.005 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.56 171.9 10.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.03 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.48 ' HA ' ' CG1' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -88.1 -28.51 21.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.955 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.51 -63.81 1.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.643 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 0.5 OUTLIER -43.52 -61.91 1.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.085 . . . . 0.0 110.29 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.773 HG23 HD22 ' A' ' 30' ' ' LEU . 7.6 p -51.13 -47.36 32.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.15 -26.88 52.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.643 ' HB3' ' O ' ' A' ' 81' ' ' GLU . . . -71.3 -61.1 1.89 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -42.66 -45.52 4.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.607 ' CG ' HD21 ' A' ' 30' ' ' LEU . 5.3 mtp -50.74 -50.51 55.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -96.93 50.32 1.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.432 1.083 . . . . 0.0 109.28 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -141.23 41.67 1.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.516 ' NE ' ' HA ' ' A' ' 90' ' ' PRO . 5.7 mtp180 -92.1 156.67 41.93 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.516 ' HA ' ' NE ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -75.0 -173.69 12.78 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 120.986 -2.506 . . . . 0.0 110.968 0.01 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.657 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 0.4 OUTLIER -128.53 112.69 14.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.597 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.47 ' HA ' ' O ' ' A' ' 96' ' ' ARG . 94.2 p -106.78 121.97 45.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.037 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.698 HD11 ' CD2' ' A' ' 47' ' ' TYR . 53.6 mt -133.1 125.21 51.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.8 t70 60.49 16.17 6.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.25 16.73 56.99 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.47 1.106 . . . . 0.0 110.976 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.491 ' HG3' ' CB ' ' A' ' 36' ' ' SER . 0.1 OUTLIER -109.73 140.51 43.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 0.779 . . . . 0.0 110.324 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 84.8 t -84.19 75.98 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.727 HG12 ' O ' ' A' ' 34' ' ' GLY . 2.5 m -72.9 160.39 5.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.475 ' HG3' ' CZ ' ' A' ' 89' ' ' ARG . 2.7 mt-10 -133.19 108.62 12.5 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.424 ' HG3' ' ND1' ' A' ' 91' ' ' HIS . 18.2 Cg_endo -74.96 150.34 38.21 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.529 1.805 . . . . 0.0 110.971 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp -135.4 145.62 47.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.569 ' HB3' ' HE1' ' A' ' 86' ' ' MET . 7.3 ptp180 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.3 tttt -93.4 114.68 27.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.457 HD21 ' HG2' ' A' ' 86' ' ' MET . 8.3 mp -104.87 165.59 10.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.646 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 18.9 t80 -120.24 110.6 16.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 111.032 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.869 HG21 HD11 ' A' ' 44' ' ' LEU . 10.2 mm -82.87 126.03 40.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.36 118.35 2.78 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.893 ' O ' HG12 ' A' ' 98' ' ' VAL . . . 121.72 33.15 0.95 Allowed Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.657 HD11 HG22 ' A' ' 32' ' ' ILE . 2.1 mp -76.67 -1.36 27.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 0.786 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.566 ' O ' ' CD2' ' A' ' 37' ' ' PHE . 3.3 t 57.7 15.38 2.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.097 . . . . 0.0 110.0 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.566 ' CD2' ' O ' ' A' ' 36' ' ' SER . 4.1 m-85 74.83 -2.26 2.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.504 ' O ' HG23 ' A' ' 40' ' ' THR . 0.8 OUTLIER -97.13 -67.93 0.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.456 ' CG2' ' HB2' ' A' ' 44' ' ' LEU . 1.0 OUTLIER -37.86 96.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.399 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.504 HG23 ' O ' ' A' ' 38' ' ' GLU . 33.2 p -78.67 -167.23 1.04 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 110.421 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.658 ' CG ' HG12 ' A' ' 59' ' ' VAL . 22.3 mt-10 -59.09 -54.57 45.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.345 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 43' ' ' SER . 6.2 tt0 -62.85 -64.82 0.8 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 42' ' ' GLU . 16.4 m -38.0 -48.17 1.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 109.953 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.869 HD11 HG21 ' A' ' 32' ' ' ILE . 4.7 tp -60.26 -53.08 61.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.679 ' HG2' HD12 ' A' ' 54' ' ' LEU . 80.5 mtm180 -57.59 -48.77 78.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.33 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -45.07 -28.42 0.71 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.148 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.691 ' CD2' ' CD1' ' A' ' 93' ' ' ILE . 65.1 t80 -94.38 -44.65 7.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.85 ' CZ ' HD12 ' A' ' 32' ' ' ILE . 36.4 m-85 -86.94 22.14 2.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 45' ' ' ARG . 2.9 mt-10 -99.44 -31.87 11.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 0.0 110.311 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.411 ' HG2' ' N ' ' A' ' 51' ' ' TRP . 1.6 pt20 -64.82 -30.99 72.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.249 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.678 ' CZ3' ' CE1' ' A' ' 91' ' ' HIS . 8.3 m0 -79.8 -42.81 23.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 107.997 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.08 160.87 29.95 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.55 1.156 . . . . 0.0 111.002 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.12 116.35 22.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 0.799 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.716 HD13 ' CG1' ' A' ' 74' ' ' VAL . 14.8 mt -76.89 102.34 6.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.407 ' N ' ' O ' ' A' ' 75' ' ' THR . 26.1 p -64.52 -13.15 51.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.389 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -153.45 111.15 3.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.578 ' SG ' HD23 ' A' ' 44' ' ' LEU . 46.0 t -126.31 120.43 29.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 108.308 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 12.2 t -128.76 143.66 40.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.658 HG12 ' CG ' ' A' ' 41' ' ' GLU . 13.9 p -124.44 112.69 33.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.264 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.578 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 34.9 mmt -66.88 150.54 49.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.98 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.43 ' HA ' ' N ' ' A' ' 69' ' ' ARG . 20.0 mtt180 -140.34 128.2 21.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 110.263 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.495 ' CB ' ' HB2' ' A' ' 65' ' ' SER . 29.4 m-20 -40.15 120.16 1.52 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.16 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -18.24 18.72 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.47 1.774 . . . . 0.0 110.972 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -94.66 -46.67 6.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.495 ' HB2' ' CB ' ' A' ' 62' ' ' ASP . 4.0 m -80.46 -48.5 12.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.996 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 62' ' ' ASP . 0.7 OUTLIER 76.46 31.99 0.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 0.0 109.243 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 68' ' ' SER . 9.3 mtp-105 -129.35 49.69 2.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.262 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 67' ' ' ARG . 18.6 m 60.72 145.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 110.005 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.454 ' NE ' ' OD1' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -92.66 -28.95 16.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.291 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 98.34 21.72 16.61 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.646 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -160.94 151.63 18.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 0.788 . . . . 0.0 110.976 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -154.74 -160.44 9.87 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.486 1.117 . . . . 0.0 110.978 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.414 ' HA ' ' O ' ' A' ' 30' ' ' LEU . 9.9 m-85 -131.47 148.23 52.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.774 . . . . 0.0 110.981 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.716 ' CG1' HD13 ' A' ' 54' ' ' LEU . 21.8 m -130.25 120.88 50.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.255 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 55' ' ' THR . 6.9 m -107.04 98.13 7.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.367 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.549 ' CD1' ' HB ' ' A' ' 82' ' ' VAL . 65.2 m-85 -65.44 167.88 8.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 111.059 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.5 t -83.14 -46.82 12.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.3 p -115.05 164.23 14.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.043 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.408 ' HA ' ' CG1' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -77.18 -25.06 51.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.09 . . . . 0.0 111.002 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.1 -65.58 0.66 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 109.261 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.706 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 81.3 mt-10 -40.79 -62.48 0.79 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.549 ' HB ' ' CD1' ' A' ' 76' ' ' PHE . 7.6 p -48.75 -51.18 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.444 ' N ' HG13 ' A' ' 82' ' ' VAL . 0.4 OUTLIER -51.82 -27.67 13.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.706 ' HB3' ' O ' ' A' ' 81' ' ' GLU . . . -68.87 -65.75 0.66 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.402 ' HB1' ' HE1' ' A' ' 91' ' ' HIS . . . -45.01 -42.85 8.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.457 ' HG2' HD21 ' A' ' 30' ' ' LEU . 1.2 mtp -52.15 -45.36 64.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 110.978 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -105.8 51.31 0.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -142.82 30.08 1.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.482 ' HA ' ' C ' ' A' ' 90' ' ' PRO . 2.3 mtm180 -84.54 159.18 59.02 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.469 1.106 . . . . 0.0 110.272 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.482 ' C ' ' HA ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -75.0 -178.6 23.95 Favored 'Cis proline' 0 C--N 1.361 1.184 0 C-N-CA 121.023 -2.49 . . . . 0.0 110.967 0.033 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.678 ' CE1' ' CZ3' ' A' ' 51' ' ' TRP . 8.0 m170 -118.47 118.83 32.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.601 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.601 ' O ' ' CE1' ' A' ' 47' ' ' TYR . 79.5 p -109.75 117.58 34.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.015 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.691 ' CD1' ' CD2' ' A' ' 47' ' ' TYR . 7.2 mt -137.24 134.22 47.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 57.03 25.74 11.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 74.43 23.44 75.52 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.57 1.169 . . . . 0.0 111.025 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.468 ' HG3' ' CB ' ' A' ' 36' ' ' SER . 0.0 OUTLIER -117.4 144.95 44.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 0.783 . . . . 0.0 110.333 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.407 ' O ' HG12 ' A' ' 97' ' ' VAL . 83.6 t -86.37 74.77 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.893 HG12 ' O ' ' A' ' 34' ' ' GLY . 1.7 m -72.68 168.55 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.406 ' HB3' ' NH1' ' A' ' 89' ' ' ARG . 2.7 pt-20 -151.06 113.81 3.11 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.429 ' HG3' ' ND1' ' A' ' 91' ' ' HIS . 18.3 Cg_endo -75.06 162.94 36.17 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.532 1.806 . . . . 0.0 110.964 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -139.9 155.7 47.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.566 1.166 . . . . 0.0 110.321 179.998 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.706 ' HG3' HG22 ' A' ' 75' ' ' THR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.31 113.42 24.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.64 HD21 ' SD ' ' A' ' 86' ' ' MET . 6.1 mp -103.97 140.48 37.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.756 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 17.2 t80 -98.38 112.26 24.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 111.031 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.604 HG21 HD11 ' A' ' 44' ' ' LEU . 9.5 mm -83.94 135.95 23.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.82 149.96 18.39 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.441 1.088 . . . . 0.0 111.022 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.573 ' O ' HG12 ' A' ' 98' ' ' VAL . . . 60.37 84.1 0.05 OUTLIER Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.046 -0.821 . . . . 0.0 111.046 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.602 HD21 HG22 ' A' ' 32' ' ' ILE . 7.3 mt -104.26 0.96 29.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 0.782 . . . . 0.0 109.261 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.554 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 0.5 OUTLIER 74.63 1.8 3.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.973 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.554 ' CG ' ' C ' ' A' ' 36' ' ' SER . 2.8 m-85 75.54 -2.3 2.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.1 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 39' ' ' THR . 52.9 mt-10 -108.14 -59.77 1.81 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 38' ' ' GLU . 1.8 m -36.44 100.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.389 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 69.8 p -78.06 -165.64 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.377 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -63.79 -51.0 66.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 110.323 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.449 ' C ' ' N ' ' A' ' 44' ' ' LEU . 49.2 tt0 -64.42 -64.46 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 42' ' ' GLU . 14.8 m -38.93 -30.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.032 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.604 HD11 HG21 ' A' ' 32' ' ' ILE . 11.0 tp -79.87 -62.43 1.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.477 ' HG2' HD12 ' A' ' 54' ' ' LEU . 4.3 mtp180 -50.23 -42.34 51.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.273 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -47.14 -30.31 2.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.351 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.738 ' CD2' HD11 ' A' ' 93' ' ' ILE . 83.3 t80 -94.05 -42.09 9.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 111.036 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.531 ' CZ ' HD12 ' A' ' 32' ' ' ILE . 37.4 m-85 -87.55 21.66 2.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.957 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 45' ' ' ARG . 2.1 mt-10 -99.0 -31.24 11.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.15 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.408 ' CD ' ' O ' ' A' ' 47' ' ' TYR . 1.1 pt20 -63.92 -34.99 79.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 110.344 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.65 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 5.6 m-90 -77.25 -45.77 25.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 107.986 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -171.81 160.88 32.83 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.141 . . . . 0.0 110.999 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.28 118.0 23.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.572 HD13 ' CG1' ' A' ' 74' ' ' VAL . 14.0 mt -74.8 99.32 3.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 75' ' ' THR . 69.9 p -45.52 -26.36 0.57 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.093 . . . . 0.0 110.433 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -160.87 132.23 5.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.34 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 6.4 t -128.46 131.76 48.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 108.322 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.9 t -133.99 139.86 47.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.549 HG23 HD12 ' A' ' 35' ' ' LEU . 10.3 p -122.99 112.55 34.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.57 ' HG3' ' CE1' ' A' ' 71' ' ' PHE . 32.3 mmt -65.8 153.45 41.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.407 ' HA ' ' N ' ' A' ' 69' ' ' ARG . 10.8 mtt180 -140.19 142.64 35.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 110.269 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -40.3 125.34 1.74 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 0.0 109.268 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -15.74 20.65 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.498 1.788 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -102.65 -43.4 5.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.7 -31.12 41.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 110.034 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.35 42.15 15.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.082 . . . . 0.0 109.256 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 45.6 mtt-85 -123.68 -79.25 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 110.275 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.2 p -159.44 144.01 15.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.998 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.407 ' N ' ' HA ' ' A' ' 61' ' ' ARG . 2.1 mtm180 -94.32 -40.39 9.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.31 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 109.14 19.52 8.45 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.458 1.098 . . . . 0.0 110.996 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.756 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 1.1 p90 -160.35 151.41 19.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 0.743 . . . . 0.0 111.012 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -155.67 -158.74 8.95 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.512 1.132 . . . . 0.0 111.042 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.408 ' HA ' ' O ' ' A' ' 30' ' ' LEU . 7.3 m-85 -131.77 151.72 51.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 0.749 . . . . 0.0 111.016 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.572 ' CG1' HD13 ' A' ' 54' ' ' LEU . 15.9 m -140.62 111.75 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.706 HG22 ' HG3' ' A' ' 28' ' ' ARG . 4.3 m -100.16 112.9 25.22 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.106 . . . . 0.0 110.387 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -78.86 167.2 21.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 110.977 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.39 -39.97 18.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.023 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.2 t -115.55 156.66 25.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.027 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.449 ' HA ' HG12 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -82.75 -11.43 58.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 111.011 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -80.22 -46.0 17.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.127 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.654 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 18.7 mt-10 -60.44 -52.49 65.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.273 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.639 HG23 HD22 ' A' ' 30' ' ' LEU . 7.4 p -53.57 -51.57 41.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.46 ' N ' HG13 ' A' ' 82' ' ' VAL . 0.2 OUTLIER -51.0 -32.21 20.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.654 ' HB3' ' O ' ' A' ' 81' ' ' GLU . . . -64.64 -64.99 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -41.85 -47.66 4.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.26 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.64 ' SD ' HD21 ' A' ' 30' ' ' LEU . 93.0 mmm -49.76 -54.4 19.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 111.023 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -92.97 50.59 1.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -144.13 37.48 1.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.489 ' CB ' ' HA ' ' A' ' 90' ' ' PRO . 2.0 mtm180 -90.22 160.7 39.41 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.283 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.489 ' HA ' ' CB ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -75.02 -177.13 19.64 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.985 -2.506 . . . . 0.0 111.018 0.053 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.65 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 3.8 m170 -121.56 110.16 15.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.593 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.704 ' O ' HD13 ' A' ' 93' ' ' ILE . 94.1 p -101.56 126.2 48.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.967 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.738 HD11 ' CD2' ' A' ' 47' ' ' TYR . 10.7 mm -131.91 120.67 45.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.58 15.17 5.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 93.95 14.28 52.51 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.51 ' O ' ' HA ' ' A' ' 92' ' ' SER . 0.6 OUTLIER -105.98 139.74 40.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 0.761 . . . . 0.0 110.313 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 89.3 t -84.63 76.72 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.337 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.644 HG22 ' O ' ' A' ' 91' ' ' HIS . 1.8 m -71.9 165.0 3.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 109.32 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -134.35 108.16 11.23 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.261 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.431 ' HG3' ' ND1' ' A' ' 91' ' ' HIS . 18.3 Cg_endo -75.02 157.57 42.61 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.55 1.816 . . . . 0.0 111.026 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -143.56 156.95 44.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.261 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.7 m -115.59 158.67 22.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 0.773 . . . . 0.0 109.985 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.29 161.87 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.957 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.93 144.17 3.85 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.547 1.155 . . . . 0.0 110.991 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.88 174.22 1.79 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 0.792 . . . . 0.0 109.969 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.0 p 176.68 161.28 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.011 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.43 177.98 48.53 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -173.26 97.52 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 0.779 . . . . 0.0 110.994 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -117.07 121.46 41.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.44 175.46 1.02 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.167 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.8 t -123.97 -43.03 2.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 110.393 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 66.02 171.64 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -158.83 147.24 18.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 16.4 m 56.19 103.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.45 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.0 m -106.7 137.24 19.42 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 141.29 26.52 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.465 1.771 . . . . 0.0 111.026 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.0 140.39 37.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -138.56 161.91 35.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.51 -28.8 3.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.586 1.179 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.464 ' O ' ' CB ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER 68.65 -88.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.464 ' CB ' ' O ' ' A' ' 20' ' ' LYS . 0.3 OUTLIER 85.54 157.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? 48.92 81.82 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -86.83 -41.92 13.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.346 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.72 -29.73 59.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.42 ' O ' ' CB ' ' A' ' 29' ' ' LYS . 19.5 tt0 -67.96 -64.93 0.76 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.306 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -58.02 -29.81 65.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.6 m-30 -61.4 -48.52 80.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.967 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.31 43.58 1.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.575 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 0.9 OUTLIER -133.17 113.24 12.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.466 HD13 ' CG2' ' A' ' 82' ' ' VAL . 9.2 mp -106.24 138.79 41.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.799 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 16.4 t80 -96.62 112.37 24.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.951 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.68 HG22 HD21 ' A' ' 35' ' ' LEU . 9.1 mm -84.41 128.06 39.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.85 134.32 11.0 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.523 1.14 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.96 74.16 1.11 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.68 HD21 HG22 ' A' ' 32' ' ' ILE . 6.1 mt -95.85 -4.76 43.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 0.793 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.531 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER 81.15 -7.77 1.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.993 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.608 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 0.5 OUTLIER 75.22 -2.17 2.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.4 ' CB ' ' OD2' ' A' ' 94' ' ' ASP . 0.5 OUTLIER -111.41 4.12 18.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 110.3 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.413 ' CG2' ' HB2' ' A' ' 44' ' ' LEU . 1.1 m -106.14 109.79 21.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 110.421 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 24.7 p -81.94 178.68 8.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.429 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.484 ' CG ' HG12 ' A' ' 59' ' ' VAL . 82.8 mt-10 -53.72 -52.75 59.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -62.41 -64.04 1.05 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 110.317 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.5 m -39.86 -37.35 0.55 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 110.01 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.503 HD21 ' CG1' ' A' ' 74' ' ' VAL . 1.3 tp -72.64 -57.9 3.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.839 ' HG2' HD12 ' A' ' 54' ' ' LEU . 12.2 mtp180 -49.09 -43.52 41.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 110.265 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -47.89 -24.72 1.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.655 ' CD2' HD11 ' A' ' 93' ' ' ILE . 33.0 t80 -92.82 -47.69 6.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.534 ' HB2' HD11 ' A' ' 54' ' ' LEU . 51.3 m-85 -89.1 24.42 2.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 45' ' ' ARG . 2.5 mt-10 -98.95 -18.47 17.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.305 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -72.92 -61.48 1.8 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 110.328 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.641 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 7.3 m-90 -49.99 -41.08 46.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 108.021 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.54 160.91 29.61 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.501 1.125 . . . . 0.0 110.958 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.56 124.62 30.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 0.74 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.839 HD12 ' HG2' ' A' ' 45' ' ' ARG . 20.4 mt -79.27 117.76 20.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 75' ' ' THR . 22.4 p -72.17 -18.07 61.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.374 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -160.32 123.01 3.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 26.2 p -128.09 119.04 24.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 108.288 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.0 t -120.78 139.03 49.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.484 HG12 ' CG ' ' A' ' 41' ' ' GLU . 13.7 p -124.37 113.58 37.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.575 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 34.1 mmt -67.75 141.75 56.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.2 mtm105 -119.78 143.75 47.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.471 ' CB ' ' HB2' ' A' ' 65' ' ' SER . 30.1 m-20 -42.21 125.96 2.77 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -10.27 21.2 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.483 1.781 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -110.91 -42.19 4.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.471 ' HB2' ' CB ' ' A' ' 62' ' ' ASP . 0.5 OUTLIER -81.49 -35.54 30.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.028 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 62' ' ' ASP . 2.2 mmtp 65.8 42.35 3.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.1 mmt85 -126.73 -77.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.319 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.5 m -155.81 133.07 10.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.024 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.23 -35.81 23.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 103.43 19.18 12.73 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.482 1.114 . . . . 0.0 111.031 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.799 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -160.12 148.22 16.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 0.744 . . . . 0.0 110.99 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -156.85 -157.57 8.43 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.494 1.121 . . . . 0.0 111.025 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -132.27 143.69 50.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.57 HG21 HD11 ' A' ' 32' ' ' ILE . 3.7 m -124.84 115.53 44.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 55' ' ' THR . 2.5 m -102.06 104.88 15.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 110.4 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.534 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 13.4 m-85 -70.48 171.04 10.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.2 t -84.71 -39.97 17.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.01 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.95 164.44 19.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 0.0 110.01 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.403 ' HA ' ' CG1' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -80.47 -14.33 58.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.97 -58.19 3.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.257 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.401 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 3.7 mp0 -48.22 -57.87 5.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.534 ' HB ' ' CD2' ' A' ' 76' ' ' PHE . 7.5 p -50.04 -45.74 23.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.352 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.41 -38.55 69.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 81' ' ' GLU . . . -67.28 -40.11 86.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.24 -34.61 76.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.419 ' HG2' HD21 ' A' ' 30' ' ' LEU . 0.7 OUTLIER -62.86 -41.7 99.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 111.006 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -98.76 49.75 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.577 ' O ' ' CD2' ' A' ' 91' ' ' HIS . . . -141.61 52.29 1.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.487 ' HA ' ' C ' ' A' ' 90' ' ' PRO . 12.6 mtm105 -109.63 158.38 34.92 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.334 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.487 ' C ' ' HA ' ' A' ' 89' ' ' ARG . 18.1 Cg_endo -75.04 -172.3 10.6 Favored 'Cis proline' 0 C--N 1.361 1.191 0 C-N-CA 120.968 -2.513 . . . . 0.0 110.965 0.018 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.641 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 4.2 m170 -125.87 124.45 40.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.582 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.0 p -118.17 117.22 28.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.067 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.655 HD11 ' CD2' ' A' ' 47' ' ' TYR . 15.0 mt -136.91 145.1 30.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.4 ' OD2' ' CB ' ' A' ' 38' ' ' GLU . 5.2 t0 63.26 13.42 6.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.15 17.5 69.32 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.496 1.123 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.44 ' HD2' HG12 ' A' ' 98' ' ' VAL . 0.0 OUTLIER -125.25 161.36 27.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 0.759 . . . . 0.0 110.249 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 60.1 t -91.41 111.81 24.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.499 HG23 ' N ' ' A' ' 99' ' ' GLU . 1.1 m -99.22 -172.82 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.499 ' N ' HG23 ' A' ' 98' ' ' VAL . 0.1 OUTLIER -158.43 109.31 1.67 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.263 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 161.52 38.55 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.487 1.783 . . . . 0.0 111.032 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.87 155.77 45.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.746 ' HB3' HG22 ' A' ' 104' ' ' VAL . 0.1 OUTLIER -62.82 -30.08 71.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 110.286 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.706 ' HB3' ' O ' ' A' ' 102' ' ' ARG . . . 84.83 -49.7 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.746 HG22 ' HB3' ' A' ' 102' ' ' ARG . 26.9 m -42.91 144.71 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 42.19 90.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.66 149.93 43.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.3 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.94 122.34 4.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -137.33 91.49 2.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.287 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.87 145.41 7.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.01 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -150.71 -161.28 9.87 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 30.9 p -173.91 151.01 1.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 0.794 . . . . 0.0 109.938 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 72.09 115.12 0.05 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 132.8 15.76 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.472 1.775 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.93 109.12 15.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.97 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.45 143.36 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.027 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.446 1.091 . . . . 0.0 110.993 179.977 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 m -160.28 170.7 20.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 0.774 . . . . 0.0 110.018 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.8 p -166.14 170.56 13.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.979 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.36 144.43 4.0 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.6 t -171.33 155.67 4.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 0.774 . . . . 0.0 110.018 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.06 157.63 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.988 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.15 120.53 2.35 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.496 1.122 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -174.66 89.47 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 0.765 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -140.77 170.25 16.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.75 178.27 4.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.3 t -147.68 152.24 37.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 110.341 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.01 176.28 5.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -109.64 145.75 35.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.251 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.4 t -173.68 158.51 3.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 110.387 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.2 m -83.18 148.34 56.01 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 69.62 5.49 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.467 1.772 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -174.95 109.0 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -178.5 124.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.272 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.61 158.66 25.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -139.91 -66.98 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.7 ptpp? -91.47 -38.78 12.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 174.19 140.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.27 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.8 -8.54 58.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.408 ' HD3' ' NH1' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -90.34 -20.0 23.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.366 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -80.77 -60.99 2.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -49.01 -34.16 12.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.291 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -59.11 -46.72 87.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.505 ' HG3' ' HE1' ' A' ' 79' ' ' MET . 1.2 mpp_? -107.34 44.1 1.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.335 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.989 ' C ' HD13 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -140.88 119.23 12.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 1.001 HD21 HG23 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -116.44 148.4 40.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.796 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 14.1 t80 -96.75 105.27 17.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.967 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.66 HG22 HD21 ' A' ' 35' ' ' LEU . 7.9 mm -79.35 131.48 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.11 136.87 9.82 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.466 1.104 . . . . 0.0 111.034 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.448 ' C ' HD23 ' A' ' 35' ' ' LEU . . . 83.88 68.29 1.42 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.66 HD21 HG22 ' A' ' 32' ' ' ILE . 4.6 mt -95.58 -1.77 49.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 0.769 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.559 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER 79.97 -1.35 2.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.985 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.559 ' CG ' ' C ' ' A' ' 36' ' ' SER . 2.4 m-85 75.7 -2.35 2.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 40' ' ' THR . 0.1 OUTLIER -105.1 -62.32 1.36 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.517 HG22 ' O ' ' A' ' 39' ' ' THR . 0.9 OUTLIER -39.05 97.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.362 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.438 ' N ' ' O ' ' A' ' 38' ' ' GLU . 73.1 p -73.95 -173.62 1.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.363 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -53.38 -54.63 33.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.322 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 45' ' ' ARG . 5.7 tt0 -61.68 -63.49 1.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.265 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.9 m -43.06 -31.55 0.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.012 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.575 HD13 HD13 ' A' ' 35' ' ' LEU . 0.9 OUTLIER -79.64 -43.92 21.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.338 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.829 ' HG2' HD12 ' A' ' 54' ' ' LEU . 26.8 mtm180 -63.13 -48.17 79.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -47.89 -24.54 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.421 1.076 . . . . 0.0 109.321 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.536 ' CE1' ' O ' ' A' ' 92' ' ' SER . 26.8 t80 -88.26 -52.79 5.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.961 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.609 ' HB2' HD11 ' A' ' 54' ' ' LEU . 50.5 m-85 -89.1 28.19 1.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 45' ' ' ARG . 2.0 mt-10 -99.31 -19.64 16.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.098 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -72.0 -61.22 1.86 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.278 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.638 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 6.2 m-90 -50.15 -43.4 52.08 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -174.6 157.87 25.61 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 0.0 111.034 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.84 121.96 25.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 0.787 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.829 HD12 ' HG2' ' A' ' 45' ' ' ARG . 37.4 mt -73.71 109.49 7.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 75' ' ' THR . 16.5 p -71.86 -15.27 62.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.387 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -158.97 111.15 2.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.412 ' O ' ' SG ' ' A' ' 57' ' ' CYS . 14.1 p -128.27 125.6 39.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 108.315 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.4 t -130.82 141.57 45.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.471 HG13 ' O ' ' A' ' 59' ' ' VAL . 13.6 p -119.81 114.17 43.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.584 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 33.8 mmt -69.18 146.65 52.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 64.6 mtt180 -128.34 134.94 48.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.286 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.462 ' CB ' ' HB2' ' A' ' 65' ' ' SER . 10.4 m-20 -40.75 130.86 1.85 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -8.3 19.91 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.508 1.793 . . . . 0.0 111.032 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -113.13 -40.35 3.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.462 ' HB2' ' CB ' ' A' ' 62' ' ' ASP . 0.6 OUTLIER -85.67 -37.07 19.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.945 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER 59.06 26.95 15.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 68' ' ' SER . 20.5 mtt180 -128.17 61.5 1.45 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 110.305 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 67' ' ' ARG . 15.5 m 61.44 129.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 110.001 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.03 -36.31 19.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 34' ' ' GLY . . . 113.68 17.36 7.53 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.426 1.079 . . . . 0.0 110.975 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.796 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -159.38 148.41 18.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 0.775 . . . . 0.0 110.988 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -155.75 -163.34 12.1 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -125.24 146.11 49.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 0.745 . . . . 0.0 111.03 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.464 ' CG1' HD21 ' A' ' 44' ' ' LEU . 18.9 m -131.6 120.59 45.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 55' ' ' THR . 1.7 m -112.78 111.57 22.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.386 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -78.55 172.92 12.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.22 -46.36 11.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.98 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.5 m -111.54 155.75 22.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.984 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.505 ' HE1' ' HG3' ' A' ' 28' ' ' ARG . 34.0 tpp -79.25 -11.69 59.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.983 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.89 -51.96 11.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.558 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 7.9 mm-40 -56.25 -56.26 23.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 110.286 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 1.001 HG23 HD21 ' A' ' 30' ' ' LEU . 7.4 p -48.33 -48.28 13.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.405 ' N ' HG13 ' A' ' 82' ' ' VAL . 0.2 OUTLIER -56.73 -27.41 59.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.284 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' A' ' 81' ' ' GLU . . . -76.76 -58.54 3.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -51.62 -42.28 61.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -54.05 -48.36 70.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -101.18 48.65 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.503 ' O ' ' CD2' ' A' ' 91' ' ' HIS . . . -130.71 41.11 3.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.506 ' CB ' ' HA ' ' A' ' 90' ' ' PRO . 4.9 mtm180 -91.3 161.14 35.59 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.246 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.506 ' HA ' ' CB ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -74.99 178.85 32.87 Favored 'Cis proline' 0 C--N 1.36 1.14 0 C-N-CA 121.021 -2.491 . . . . 0.0 111.003 -0.027 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.638 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 8.4 m170 -128.2 120.22 26.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.551 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.536 ' O ' ' CE1' ' A' ' 47' ' ' TYR . 14.5 p -115.34 119.21 35.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.038 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.528 HG12 ' CE1' ' A' ' 47' ' ' TYR . 16.3 mt -134.99 147.74 29.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.571 1.169 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.441 ' OD2' ' N ' ' A' ' 39' ' ' THR . 0.4 OUTLIER 62.65 14.27 7.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 88.18 -4.85 85.37 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.451 ' NH2' ' OE2' ' A' ' 99' ' ' GLU . 7.2 ptm180 -105.3 168.36 9.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 0.792 . . . . 0.0 110.275 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 61.0 t -97.54 104.41 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.44 HG23 ' N ' ' A' ' 99' ' ' GLU . 1.2 m -85.45 -175.1 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.137 . . . . 0.0 109.339 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.451 ' OE2' ' NH2' ' A' ' 96' ' ' ARG . 2.0 pm0 -158.77 109.97 1.61 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.169 . . . . 0.0 110.277 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.51 ' O ' ' CD ' ' A' ' 101' ' ' LYS . 18.2 Cg_endo -75.07 158.92 41.68 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.486 1.782 . . . . 0.0 110.971 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.51 ' CD ' ' O ' ' A' ' 100' ' ' PRO . 0.1 OUTLIER -143.49 168.89 18.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.61 ' HB3' HG22 ' A' ' 104' ' ' VAL . 3.9 mtp180 -92.39 127.13 37.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 29' ' ' LYS . . . -94.03 55.3 2.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.61 HG22 ' HB3' ' A' ' 102' ' ' ARG . 29.9 m -129.38 153.57 38.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.542 ' HB3' ' O ' ' A' ' 104' ' ' VAL . . . 73.47 -74.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 105' ' ' ALA . 1.0 OUTLIER -38.87 150.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.297 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 65.72 79.61 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.28 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -92.32 -59.25 2.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.327 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.57 105.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 110.011 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -98.52 -84.21 1.76 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.477 1.111 . . . . 0.0 110.986 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 42.47 89.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 0.78 . . . . 0.0 110.005 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -131.01 108.61 0.83 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.507 1.129 . . . . 0.0 110.989 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 86.7 1.39 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.459 1.768 . . . . 0.0 111.008 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.41 148.82 0.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.985 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.4 96.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 110.028 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.533 1.146 . . . . 0.0 110.98 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.7 p 58.56 112.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.742 . . . . 0.0 110.045 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 m -156.5 158.13 36.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.997 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.99 156.91 15.34 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.494 1.121 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m -163.48 147.63 10.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 0.759 . . . . 0.0 110.02 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -120.88 135.63 55.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.035 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.9 99.76 0.26 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.529 1.143 . . . . 0.0 110.978 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -107.43 104.99 14.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 0.761 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -175.81 128.0 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 110.314 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.5 -50.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.6 m -97.33 152.87 18.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.384 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -172.14 79.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.92 119.76 9.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.171 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.34 145.29 51.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.365 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.5 m -145.58 152.98 50.6 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.234 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 177.06 9.11 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.488 1.783 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.4 mp -101.78 -64.48 1.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -178.56 -69.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.81 122.56 1.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.274 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -111.68 150.15 30.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.087 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.51 139.78 48.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 45.95 73.27 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -92.22 -20.11 21.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.1 -4.57 59.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 29' ' ' LYS . 1.0 OUTLIER -95.17 -65.02 1.0 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.657 ' HB2' HG21 ' A' ' 104' ' ' VAL . 0.0 OUTLIER -53.44 -19.88 4.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.25 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -77.48 -42.24 36.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -113.46 25.48 11.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.26 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -111.35 118.11 34.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.641 HD13 ' CG2' ' A' ' 82' ' ' VAL . 8.4 mp -107.61 124.02 49.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.785 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 9.6 t80 -86.87 109.65 19.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.538 HG22 HD21 ' A' ' 35' ' ' LEU . 6.3 mm -84.47 133.82 28.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.66 134.89 10.19 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.512 1.132 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.459 ' C ' HD23 ' A' ' 35' ' ' LEU . . . 79.48 76.01 0.99 Allowed Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.538 HD21 HG22 ' A' ' 32' ' ' ILE . 3.7 mt -98.45 2.34 47.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 0.769 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.551 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 78.03 0.34 2.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.032 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.551 ' CG ' ' C ' ' A' ' 36' ' ' SER . 1.9 m-85 75.67 -2.33 2.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 39' ' ' THR . 0.1 OUTLIER -106.12 -64.93 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 110.33 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.45 HG22 ' O ' ' A' ' 39' ' ' THR . 0.9 OUTLIER -37.66 99.5 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 0.0 110.428 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.4 ' N ' ' O ' ' A' ' 38' ' ' GLU . 60.3 p -77.34 -164.79 0.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.435 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -61.18 -54.24 46.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.083 . . . . 0.0 110.306 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 45' ' ' ARG . 3.2 mt-10 -59.68 -66.58 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.271 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.8 m -40.14 -33.31 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.994 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.816 HD21 ' CG1' ' A' ' 74' ' ' VAL . 9.2 tp -70.94 -51.14 27.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.5 OUTLIER -58.39 -52.54 65.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.311 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -43.16 -27.7 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.628 ' CD2' HD11 ' A' ' 93' ' ' ILE . 40.1 t80 -92.59 -46.46 7.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 111.047 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.504 ' OH ' HD12 ' A' ' 32' ' ' ILE . 21.4 m-85 -88.59 23.83 2.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.585 1.178 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 45' ' ' ARG . 2.1 mt-10 -99.48 -27.99 13.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.407 ' CD ' ' O ' ' A' ' 47' ' ' TYR . 1.9 pt20 -70.94 -14.24 62.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 110.302 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.643 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 8.9 m0 -98.17 -35.54 10.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 108.019 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 175.06 162.5 26.57 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.44 1.088 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.78 124.55 29.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.776 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.475 HD11 ' CB ' ' A' ' 48' ' ' TYR . 24.1 mt -82.64 109.93 17.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 17.8 p -74.84 -9.34 58.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 0.0 110.426 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -160.51 112.78 1.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.087 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 24.6 p -126.59 119.04 26.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 108.291 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.4 t -128.45 139.64 51.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.457 HG13 ' O ' ' A' ' 59' ' ' VAL . 14.7 p -124.38 114.66 41.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.577 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 34.9 mmt -67.27 147.39 53.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 0.0 111.008 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 41.1 mtt180 -126.41 142.68 51.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 110.29 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 66' ' ' LYS . 2.8 t70 -49.6 128.77 19.11 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -13.69 21.39 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.44 1.758 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -105.13 -40.37 5.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.81 -34.65 26.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.019 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER 61.11 40.15 15.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -125.3 -74.81 0.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.323 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.6 t -164.45 132.79 3.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 110.042 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.49 -43.89 22.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 34' ' ' GLY . . . 113.93 19.3 6.47 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.545 1.153 . . . . 0.0 110.976 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.785 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 0.4 OUTLIER -158.03 147.99 20.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 0.803 . . . . 0.0 111.044 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -155.56 -158.75 8.94 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 4.1 m-85 -131.6 145.11 51.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 0.78 . . . . 0.0 110.966 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.816 ' CG1' HD21 ' A' ' 44' ' ' LEU . 17.0 m -131.33 111.79 20.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.6 m -100.75 111.67 23.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.374 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.492 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 36.8 m-85 -77.41 170.06 17.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.977 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 t -81.16 -46.48 14.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.993 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.64 157.36 24.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.006 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.83 -16.82 61.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 111.049 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.72 -58.71 3.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.618 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 1.0 OUTLIER -46.83 -59.61 2.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.333 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.641 ' CG2' HD13 ' A' ' 30' ' ' LEU . 6.6 p -47.61 -48.87 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.405 ' N ' HG13 ' A' ' 82' ' ' VAL . 1.3 t70 -53.23 -34.68 58.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.618 ' HB3' ' O ' ' A' ' 81' ' ' GLU . . . -62.4 -61.56 2.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -44.07 -42.17 6.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.137 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.419 ' HG2' HD21 ' A' ' 30' ' ' LEU . 1.2 mtp -57.3 -40.81 78.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . -102.55 46.61 0.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.422 ' O ' ' CD2' ' A' ' 91' ' ' HIS . . . -142.86 41.13 1.54 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.102 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.503 ' CB ' ' HA ' ' A' ' 90' ' ' PRO . 14.6 mtm180 -96.0 160.92 28.94 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.503 ' HA ' ' CB ' ' A' ' 89' ' ' ARG . 18.2 Cg_endo -75.08 -173.15 11.83 Favored 'Cis proline' 0 C--N 1.359 1.13 0 C-N-CA 121.008 -2.497 . . . . 0.0 110.942 0.038 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.643 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 17.0 m170 -123.89 123.52 40.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.591 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.6 ' O ' ' CE1' ' A' ' 47' ' ' TYR . 6.2 p -119.54 116.97 27.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.049 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.628 HD11 ' CD2' ' A' ' 47' ' ' TYR . 15.5 mt -137.09 145.94 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 64.48 12.51 7.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.73 19.8 65.01 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.563 1.165 . . . . 0.0 111.002 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.479 ' CZ ' ' HB2' ' A' ' 96' ' ' ARG . 0.0 OUTLIER -130.31 157.26 43.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 0.742 . . . . 0.0 110.299 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 40.5 t -85.51 113.25 23.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.428 HG23 ' N ' ' A' ' 99' ' ' GLU . 1.5 m -97.45 -172.77 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.428 ' N ' HG23 ' A' ' 98' ' ' VAL . 0.0 OUTLIER -156.0 108.98 2.11 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 110.311 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 159.41 41.38 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.463 1.77 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -138.48 137.78 37.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.682 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 3.3 ttt180 -56.84 -17.24 8.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.132 . . . . 0.0 110.336 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.682 ' HB3' ' O ' ' A' ' 102' ' ' ARG . . . 82.88 -52.37 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 0.0 109.266 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.657 HG21 ' HB2' ' A' ' 26' ' ' GLN . 23.1 t -116.94 156.01 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.632 ' HB3' ' O ' ' A' ' 104' ' ' VAL . . . 79.64 116.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 4.7 ttt-85 64.81 59.73 0.89 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.461 1.101 . . . . 0.0 110.274 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.92 175.82 13.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 110.34 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -157.24 124.33 5.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.165 . . . . 0.0 110.274 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 24.0 p 179.16 141.72 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.01 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 90.81 166.65 41.02 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.458 1.099 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 72.9 p -172.36 135.53 0.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 0.772 . . . . 0.0 110.023 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -123.65 -123.55 2.81 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.463 1.102 . . . . 0.0 111.028 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 152.94 41.18 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.525 1.803 . . . . 0.0 110.95 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.6 t -110.74 -58.85 2.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 1.163 . . . . 0.0 110.018 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 60.8 m -93.36 80.14 4.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.928 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 O-C-N 124.468 1.105 . . . . 0.0 111.027 179.962 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.21 151.29 3.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 110.005 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.6 t 65.5 152.39 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.971 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.24 161.28 34.3 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.85 166.19 5.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 0.766 . . . . 0.0 110.03 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.39 -59.8 1.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.015 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.76 114.22 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.548 1.155 . . . . 0.0 111.021 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.6 mtm -97.66 169.65 9.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.767 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -131.95 92.97 3.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.294 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -173.79 81.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 35.2 p -127.52 59.94 1.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.433 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 mp 57.03 172.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -108.83 174.7 5.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.9 ' O ' HG22 ' A' ' 15' ' ' VAL . 9.4 t -100.06 52.79 0.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.404 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.9 HG22 ' O ' ' A' ' 14' ' ' THR . 3.1 m 55.79 159.85 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -47.17 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.47 1.774 . . . . 0.0 111.001 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.402 HD11 ' HA ' ' A' ' 21' ' ' LYS . 0.9 OUTLIER -165.52 149.22 8.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.573 1.171 . . . . 0.0 109.31 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 179.14 140.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.325 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 64.05 85.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 110.313 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.98 167.91 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.402 ' HA ' HD11 ' A' ' 17' ' ' LEU . 1.0 OUTLIER -94.27 140.38 29.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.344 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.35 -41.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.489 ' O ' ' CD1' ' A' ' 27' ' ' PHE . 10.0 mt-10 -69.87 -47.16 63.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -21.31 62.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -76.78 -58.09 3.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.267 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -70.75 -8.69 54.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 110.275 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.489 ' CD1' ' O ' ' A' ' 23' ' ' GLU . 2.2 m-30 -81.27 -44.49 17.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 71.6 mtt180 -95.87 -10.09 29.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.347 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.768 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 0.8 OUTLIER -86.47 113.78 22.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.581 HD13 ' CG2' ' A' ' 82' ' ' VAL . 6.8 mp -106.41 134.24 49.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.798 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 25.0 t80 -96.42 108.86 21.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.595 HG22 HD21 ' A' ' 35' ' ' LEU . 9.3 mm -82.42 123.7 38.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.32 135.12 12.59 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.506 1.129 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.794 ' O ' HG12 ' A' ' 98' ' ' VAL . . . 81.74 80.94 0.89 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.595 HD21 HG22 ' A' ' 32' ' ' ILE . 3.0 mt -106.98 3.25 25.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.75 . . . . 0.0 109.337 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.577 ' O ' ' CD2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 74.69 1.31 3.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.995 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.577 ' CD2' ' O ' ' A' ' 36' ' ' SER . 4.2 m-85 75.2 -2.21 2.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 40' ' ' THR . 1.5 mt-10 -106.03 -64.51 1.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.289 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.561 HG22 HD13 ' A' ' 35' ' ' LEU . 0.9 OUTLIER -37.8 97.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.367 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.434 ' N ' ' O ' ' A' ' 38' ' ' GLU . 18.3 p -72.7 -166.98 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.374 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.519 ' CG ' HG12 ' A' ' 59' ' ' VAL . 65.5 mt-10 -60.69 -54.25 47.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.428 ' C ' ' N ' ' A' ' 44' ' ' LEU . 4.7 tt0 -61.71 -62.41 1.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.0 m -40.52 -29.48 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.964 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.661 HD21 ' CG1' ' A' ' 74' ' ' VAL . 14.6 tp -77.58 -61.64 1.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -46.34 -48.73 18.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.334 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.3 t30 -47.54 -25.5 1.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.567 ' CE2' HG12 ' A' ' 93' ' ' ILE . 23.4 t80 -93.98 -45.4 7.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.492 ' CE2' HD11 ' A' ' 44' ' ' LEU . 27.1 m-85 -88.77 22.73 2.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 45' ' ' ARG . 2.9 mt-10 -99.01 -14.18 19.57 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 110.26 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.408 ' CD ' ' O ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -83.51 -8.28 59.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.335 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.491 ' CH2' ' CD2' ' A' ' 91' ' ' HIS . 6.5 m0 -103.44 -37.8 7.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 107.995 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 179.3 160.13 24.55 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.81 114.61 18.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 0.777 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 20.3 mt -72.01 125.49 27.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.435 ' H ' ' HG1' ' A' ' 55' ' ' THR . 69.7 p -82.38 -14.37 55.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.377 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -160.96 120.7 2.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.538 ' SG ' HD23 ' A' ' 44' ' ' LEU . 8.0 t -127.93 119.36 25.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 108.332 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.3 t -127.14 140.91 47.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.519 HG12 ' CG ' ' A' ' 41' ' ' GLU . 11.4 p -124.1 112.86 34.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.571 ' HG3' ' CE1' ' A' ' 71' ' ' PHE . 33.0 mmt -68.67 148.31 50.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.42 ' HA ' ' N ' ' A' ' 69' ' ' ARG . 10.1 mtt180 -140.03 127.24 21.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 110.29 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 66' ' ' LYS . 57.3 m-20 -40.88 122.4 1.9 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -21.08 16.27 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.515 1.798 . . . . 0.0 111.023 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -93.36 -43.54 8.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.52 -48.03 13.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.992 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER 73.59 28.79 1.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 55.9 mtt180 -128.06 48.71 2.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.2 m 60.58 146.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 110.003 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.57 ' HD3' ' CE2' ' A' ' 71' ' ' PHE . 3.1 mtt180 -92.2 -37.28 12.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.266 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' GLY . . . 107.59 20.85 8.24 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.523 1.139 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.798 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 1.3 p90 -160.25 151.61 19.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 0.735 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -156.27 -161.01 10.39 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.52 1.137 . . . . 0.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -131.36 147.15 52.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 0.773 . . . . 0.0 111.029 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.661 ' CG1' HD21 ' A' ' 44' ' ' LEU . 30.8 m -135.13 110.96 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 109.237 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 21.0 m -97.91 104.34 16.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.358 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.508 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 30.0 m-85 -69.28 169.94 11.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.73 -46.42 12.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 109.983 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.65 170.61 8.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.029 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.441 ' HA ' ' CG1' ' A' ' 82' ' ' VAL . 6.1 tpt -81.29 -28.36 34.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.34 -64.66 0.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.347 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.568 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 2.3 mp0 -41.11 -60.12 1.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.581 ' CG2' HD13 ' A' ' 30' ' ' LEU . 7.4 p -53.3 -45.65 56.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.24 -27.91 56.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.351 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.568 ' HB3' ' O ' ' A' ' 81' ' ' GLU . . . -72.88 -48.83 34.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -55.25 -39.85 70.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.435 ' CE ' ' HG3' ' A' ' 102' ' ' ARG . 1.2 mtp -56.86 -41.14 77.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -112.22 40.11 2.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.455 ' HB2' ' O ' ' A' ' 84' ' ' ALA . . . -110.99 -19.12 12.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.479 ' HA ' ' C ' ' A' ' 90' ' ' PRO . 3.5 mtm180 -46.18 159.15 0.34 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.323 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.479 ' C ' ' HA ' ' A' ' 89' ' ' ARG . 18.5 Cg_endo -75.01 -176.99 19.23 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 120.983 -2.507 . . . . 0.0 111.007 -0.008 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.491 ' CD2' ' CH2' ' A' ' 51' ' ' TRP . 32.8 m170 -140.71 128.77 22.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.604 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.3 p -119.19 111.08 17.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.057 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.567 HG12 ' CE2' ' A' ' 47' ' ' TYR . 19.3 mt -127.4 137.09 58.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.4 t70 68.35 9.75 7.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.084 . . . . 0.0 109.305 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 94.3 -8.07 72.24 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.504 1.127 . . . . 0.0 111.028 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.475 ' HD2' ' CB ' ' A' ' 36' ' ' SER . 0.3 OUTLIER -105.7 160.71 15.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 0.745 . . . . 0.0 110.282 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 43.1 t -89.77 116.73 31.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.794 HG12 ' O ' ' A' ' 34' ' ' GLY . 8.4 m -93.46 -179.3 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.36 108.94 2.05 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 156.89 42.97 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.472 1.775 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.9 mmtm -134.23 150.5 51.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.615 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 10.0 mtt180 -58.83 -29.12 66.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.768 ' HB3' ' O ' ' A' ' 29' ' ' LYS . . . 78.21 38.5 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.65 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 31.3 m -107.46 -44.75 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.65 ' HB2' ' O ' ' A' ' 104' ' ' VAL . . . 166.91 -82.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.73 -178.89 6.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -100.51 100.13 10.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.088 . . . . 0.0 110.255 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -171.44 -64.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.293 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.4 m 63.42 92.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.982 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -75.72 170.41 54.61 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.437 1.085 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 66.9 m -97.22 129.47 44.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 0.766 . . . . 0.0 109.991 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -46.88 127.99 11.17 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -44.16 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.5 1.789 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 40.3 t -52.26 110.36 0.48 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 1.132 . . . . 0.0 109.999 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.2 m -115.03 83.63 1.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.037 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 -179.954 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.0 p -169.88 110.27 0.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 0.746 . . . . 0.0 109.959 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -177.94 127.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.564 1.165 . . . . 0.0 109.992 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.6 139.94 4.29 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.548 1.155 . . . . 0.0 110.986 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.47 117.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 110.031 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.18 147.7 30.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.963 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.39 -167.53 12.51 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.451 1.094 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.4 mtt -143.13 153.97 43.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 0.779 . . . . 0.0 110.998 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -157.5 91.06 1.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -155.87 126.29 6.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.107 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.6 m 62.77 123.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 110.393 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.52 HD22 ' HG3' ' A' ' 108' ' ' GLU . 0.2 OUTLIER -91.76 117.99 30.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.67 106.76 13.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.279 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.0 t -168.85 149.62 4.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.369 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.0 m -55.96 153.58 16.97 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 171.92 17.38 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.564 1.823 . . . . 0.0 110.95 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -171.33 144.79 2.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -158.04 143.47 16.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.334 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 49.81 94.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.25 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.1 -68.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.328 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.71 153.37 0.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.84 155.68 18.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.447 ' O ' ' CD1' ' A' ' 27' ' ' PHE . 0.8 OUTLIER -60.68 -54.51 44.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.43 -17.97 63.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.476 ' O ' ' CB ' ' A' ' 29' ' ' LYS . 7.6 tt0 -78.96 -57.57 3.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 110.324 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -66.27 -9.68 34.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.447 ' CD1' ' O ' ' A' ' 23' ' ' GLU . 2.1 m-30 -77.51 -45.27 26.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.7 mtm-85 -111.89 22.65 14.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.26 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.559 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -113.84 118.92 35.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.479 HD13 HG21 ' A' ' 82' ' ' VAL . 9.0 mp -111.43 160.2 17.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.1 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.794 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 19.2 t80 -122.41 109.97 15.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.532 HG21 HD11 ' A' ' 44' ' ' LEU . 5.4 mm -82.5 132.91 30.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.43 114.73 2.21 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.446 1.091 . . . . 0.0 110.991 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.704 ' C ' HD23 ' A' ' 35' ' ' LEU . . . 111.7 70.02 0.58 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.704 HD23 ' C ' ' A' ' 34' ' ' GLY . 4.0 mt -106.68 8.92 31.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.599 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 1.1 t 66.83 -73.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.988 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 36' ' ' SER . 0.3 OUTLIER 161.98 -25.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 110.996 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -99.22 30.1 3.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.573 1.171 . . . . 0.0 110.277 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.1 m -113.88 112.3 23.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.377 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 38.2 p -92.99 165.37 12.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.396 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -47.99 -53.86 14.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.251 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -54.31 -62.17 1.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 m -39.39 -57.01 1.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.998 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.532 HD11 HG21 ' A' ' 32' ' ' ILE . 0.9 OUTLIER -56.57 -48.45 77.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.25 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 49' ' ' GLU . 43.5 mtp180 -55.52 -57.28 12.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -42.11 -29.01 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.679 ' CE2' HD11 ' A' ' 93' ' ' ILE . 11.6 t80 -87.6 -52.81 5.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 111.018 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.44 ' CB ' HD11 ' A' ' 54' ' ' LEU . 32.1 m-85 -89.62 31.66 0.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 111.054 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 45' ' ' ARG . 1.0 OUTLIER -98.23 -30.49 12.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.32 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.414 ' CG ' ' N ' ' A' ' 51' ' ' TRP . 21.6 pt20 -67.54 -53.46 28.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.611 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 6.4 m0 -54.96 -21.34 11.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 107.967 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 164.16 163.31 16.84 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.514 1.133 . . . . 0.0 110.976 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.83 111.06 20.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 0.776 . . . . 0.0 109.259 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.517 HD13 ' CG1' ' A' ' 74' ' ' VAL . 21.0 mt -67.58 99.59 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 75' ' ' THR . 72.2 p -52.93 -23.46 7.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.425 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -161.17 129.26 4.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 48.8 t -127.5 118.86 24.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 108.323 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.1 t -118.1 134.78 60.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.593 HG23 HD12 ' A' ' 35' ' ' LEU . 11.8 p -124.09 114.11 39.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.579 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 34.6 mmt -67.31 143.72 56.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.408 ' HA ' ' N ' ' A' ' 69' ' ' ARG . 31.1 mtm180 -133.77 149.18 51.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.451 ' CB ' ' HB2' ' A' ' 65' ' ' SER . 66.1 m-20 -41.54 133.75 2.14 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 -10.77 21.3 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.485 1.782 . . . . 0.0 110.974 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -112.64 -41.64 3.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.451 ' HB2' ' CB ' ' A' ' 62' ' ' ASP . 0.3 OUTLIER -81.0 -36.67 30.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.007 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 61.9 32.22 17.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 16.6 mtt85 -105.35 -67.4 0.92 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.596 ' O ' ' CE1' ' A' ' 37' ' ' PHE . 46.2 t -169.47 148.42 3.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.528 1.143 . . . . 0.0 110.027 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.408 ' N ' ' HA ' ' A' ' 61' ' ' ARG . 0.2 OUTLIER -98.46 -39.79 8.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.262 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 113.59 11.83 12.5 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.494 1.121 . . . . 0.0 110.986 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.794 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 1.8 p90 -157.8 152.95 25.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -161.03 -157.79 8.95 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.46 1.1 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.477 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 1.3 m-85 -135.1 151.97 51.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 0.761 . . . . 0.0 111.017 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.517 ' CG1' HD13 ' A' ' 54' ' ' LEU . 15.7 m -135.07 112.25 14.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 55' ' ' THR . 2.6 m -96.54 103.62 15.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.377 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.469 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 15.9 m-85 -68.6 -175.57 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.3 t -94.18 -52.69 4.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.988 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 69.5 m -118.88 168.91 10.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.958 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.48 ' O ' ' CG1' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -69.43 -42.53 74.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.52 1.137 . . . . 0.0 110.961 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.05 -61.35 2.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -43.19 -64.41 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.249 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.48 ' CG1' ' O ' ' A' ' 79' ' ' MET . 7.5 p -53.6 -33.88 23.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 79' ' ' MET . 0.3 OUTLIER -61.38 -36.16 79.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.25 -53.48 29.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -50.45 -35.99 31.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.77 -29.19 69.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.968 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -123.93 39.31 4.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.475 ' CB ' ' HE2' ' A' ' 91' ' ' HIS . . . -109.76 -21.55 12.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.508 ' CB ' ' HA ' ' A' ' 90' ' ' PRO . 3.3 mtm105 -46.6 160.97 0.3 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.508 ' HA ' ' CB ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -74.97 177.1 40.53 Favored 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 121.006 -2.498 . . . . 0.0 111.008 -0.049 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.611 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 39.7 m170 -138.98 133.1 31.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.639 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.914 ' O ' HD13 ' A' ' 93' ' ' ILE . 4.3 p -119.06 121.14 39.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.03 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.914 HD13 ' O ' ' A' ' 92' ' ' SER . 9.7 mm -129.41 138.33 54.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.4 t0 64.88 12.14 7.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 86.25 18.6 58.83 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.483 1.114 . . . . 0.0 110.963 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.452 ' CG ' ' O ' ' A' ' 93' ' ' ILE . 0.4 OUTLIER -126.68 154.02 44.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 0.749 . . . . 0.0 110.316 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 13.0 t -82.06 104.56 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.666 HG12 ' O ' ' A' ' 34' ' ' GLY . 2.1 m -86.49 -179.92 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -154.45 109.28 2.4 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 160.08 40.55 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.509 1.794 . . . . 0.0 110.976 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -136.42 163.53 30.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.69 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -67.9 -41.1 83.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.303 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.69 ' HB3' ' O ' ' A' ' 102' ' ' ARG . . . 83.13 40.35 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 31.7 m -118.5 174.8 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 62.61 135.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.6 ptt180 -42.54 139.75 1.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -165.45 144.64 6.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.52 ' HG3' HD22 ' A' ' 12' ' ' LEU . 1.0 OUTLIER -45.22 149.77 0.48 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 24.2 p -156.74 154.33 29.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.115 . . . . 0.0 110.013 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -92.67 174.26 36.05 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.519 1.137 . . . . 0.0 110.978 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 31.9 t 62.44 118.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 0.741 . . . . 0.0 110.02 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 149.99 97.2 0.17 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 62.79 5.99 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.453 1.765 . . . . 0.0 110.963 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.76 122.89 27.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.999 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 50.3 m 64.28 162.39 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.016 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.9 t -170.88 107.08 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 0.798 . . . . 0.0 110.028 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.44 144.0 1.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.995 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.79 65.78 0.55 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.435 1.084 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.44 103.89 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 0.765 . . . . 0.0 109.97 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.75 86.99 4.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.013 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 38.92 88.15 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -74.24 -174.8 2.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 0.766 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -177.54 -38.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.58 1.175 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.3 tttm -83.75 66.64 9.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.554 HG23 ' O ' ' A' ' 11' ' ' THR . 9.8 t -139.59 61.4 1.55 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 0.0 110.427 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -171.13 67.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.9 mp0 -110.07 158.66 18.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 110.313 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.6 m 54.33 104.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 110.436 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 32.0 m -67.66 157.17 87.03 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 129.32 12.19 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.535 1.808 . . . . 0.0 110.993 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.31 153.25 49.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.18 144.04 50.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 110.301 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -150.8 143.96 24.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.259 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -100.26 84.97 2.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.276 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.8 mmtp -84.76 172.62 11.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.343 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -109.15 139.2 44.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.54 -49.57 31.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.31 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -66.85 -15.53 63.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -93.07 -53.95 3.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.345 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -65.32 -11.3 40.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.3 m-30 -78.29 -44.37 25.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.2 mtm-85 -96.67 -12.94 23.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.297 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.469 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -88.14 117.32 26.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.486 HD22 HG23 ' A' ' 82' ' ' VAL . 4.8 mp -111.22 165.7 11.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.799 ' CZ ' ' CD2' ' A' ' 71' ' ' PHE . 45.4 t80 -114.57 103.58 11.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.984 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.729 HG21 HD11 ' A' ' 44' ' ' LEU . 6.7 mm -78.69 130.76 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.248 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.25 138.56 11.35 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.531 1.145 . . . . 0.0 110.974 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.443 ' O ' HG12 ' A' ' 98' ' ' VAL . . . 86.79 67.81 1.34 Allowed Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.668 HD21 HG22 ' A' ' 32' ' ' ILE . 10.4 mt -103.42 9.14 37.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 0.749 . . . . 0.0 109.325 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.592 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 1.3 t 66.46 -69.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.595 ' CD1' ' O ' ' A' ' 68' ' ' SER . 0.3 OUTLIER 162.05 -25.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 111.0 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.605 ' O ' HG23 ' A' ' 40' ' ' THR . 1.6 mp0 -89.42 -45.69 9.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.262 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 38' ' ' GLU . 1.8 m -37.75 96.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 110.399 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.605 HG23 ' O ' ' A' ' 38' ' ' GLU . 72.8 p -83.33 178.16 8.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.42 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.505 ' CG ' HG12 ' A' ' 59' ' ' VAL . 75.8 mt-10 -53.22 -50.37 64.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.269 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -63.07 -62.56 1.63 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.273 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.8 m -39.3 -47.55 1.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.019 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.729 HD11 HG21 ' A' ' 32' ' ' ILE . 2.2 tp -61.13 -65.08 0.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.849 ' HG2' HD12 ' A' ' 54' ' ' LEU . 8.1 mtp180 -46.61 -47.28 19.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.283 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -47.01 -25.15 0.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.403 ' N ' ' C ' ' A' ' 45' ' ' ARG . 27.8 t80 -93.55 -47.35 6.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.561 ' CB ' HD11 ' A' ' 54' ' ' LEU . 43.3 m-85 -89.92 26.06 1.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 45' ' ' ARG . 3.5 mt-10 -99.07 -13.67 19.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.277 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -76.26 -61.17 2.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 110.313 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.627 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 9.1 m-90 -50.66 -37.07 38.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 108.005 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -178.33 165.34 34.59 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.533 1.145 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.21 118.09 27.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 0.752 . . . . 0.0 109.349 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.849 HD12 ' HG2' ' A' ' 45' ' ' ARG . 12.5 mt -75.29 99.66 4.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.44 ' N ' ' O ' ' A' ' 75' ' ' THR . 61.4 p -46.76 -25.86 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.435 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -159.39 126.72 4.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.426 ' CB ' ' HG3' ' A' ' 45' ' ' ARG . 28.8 p -128.08 117.55 21.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 108.294 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.436 HG12 ' HE2' ' A' ' 60' ' ' MET . 7.4 t -115.64 142.31 29.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.336 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.505 HG12 ' CG ' ' A' ' 41' ' ' GLU . 7.3 p -124.06 121.89 63.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.573 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 36.3 mmt -73.93 136.47 43.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -134.72 138.24 44.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.293 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.53 134.97 13.18 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -21.55 15.87 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.477 1.777 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -99.38 -47.96 4.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.256 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.91 -37.1 72.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.47 1.106 . . . . 0.0 109.999 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 75.9 19.25 1.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.341 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.1 mtt-85 -121.21 148.33 44.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.298 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.595 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 66.8 m -42.32 129.1 3.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.993 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.09 -28.11 67.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 117.1 11.94 8.68 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.556 1.16 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.799 ' CD2' ' CZ ' ' A' ' 31' ' ' PHE . 9.3 p90 -158.28 154.41 27.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -158.42 -162.71 12.07 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.498 1.124 . . . . 0.0 111.059 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.4 ' HA ' ' O ' ' A' ' 30' ' ' LEU . 8.1 m-85 -128.61 149.55 50.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 110.99 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.614 ' CG2' HD11 ' A' ' 32' ' ' ILE . 12.3 m -135.73 123.33 35.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 55' ' ' THR . 2.4 m -110.24 99.85 8.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.421 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.477 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 19.6 m-85 -65.73 175.34 1.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 111.039 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.1 t -86.41 -48.64 8.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.101 . . . . 0.0 109.992 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.91 -179.69 3.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.991 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.465 ' O ' ' CG1' ' A' ' 82' ' ' VAL . 0.6 OUTLIER -88.23 -31.88 18.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 111.019 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.76 -62.13 2.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -43.61 -62.51 1.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.294 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.486 HG23 HD22 ' A' ' 30' ' ' LEU . 7.3 p -50.31 -35.37 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.16 -34.65 78.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.359 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.537 ' O ' ' HB2' ' A' ' 88' ' ' ALA . . . -72.27 -37.99 68.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.97 -34.16 76.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.459 ' CE ' ' HG3' ' A' ' 102' ' ' ARG . 0.7 OUTLIER -65.59 -34.2 77.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -114.7 51.98 0.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.549 ' O ' ' CD2' ' A' ' 91' ' ' HIS . . . -138.64 50.73 1.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.482 ' CB ' ' HA ' ' A' ' 90' ' ' PRO . 5.3 mtm105 -111.59 160.06 30.87 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.347 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.482 ' HA ' ' CB ' ' A' ' 89' ' ' ARG . 18.2 Cg_endo -75.04 -168.91 6.88 Favored 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 121.003 -2.499 . . . . 0.0 110.965 0.029 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.627 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 5.0 m170 -132.87 139.86 47.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 109.578 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.3 p -125.31 111.4 15.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.996 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.479 ' O ' ' CG ' ' A' ' 96' ' ' ARG . 9.9 mt -137.21 150.33 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.469 ' OD2' ' CB ' ' A' ' 36' ' ' SER . 41.5 t0 57.96 28.52 16.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 66.59 19.99 69.56 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.485 ' CZ ' ' HB2' ' A' ' 96' ' ' ARG . 0.1 OUTLIER -128.31 168.21 15.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 0.76 . . . . 0.0 110.339 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.429 ' O ' ' NH2' ' A' ' 96' ' ' ARG . 60.5 t -97.06 103.98 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.51 HG22 ' HB3' ' A' ' 91' ' ' HIS . 1.4 m -89.86 -174.39 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.414 ' N ' HG23 ' A' ' 98' ' ' VAL . 2.0 pm0 -158.67 109.53 1.63 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.258 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.437 ' HD2' ' CD ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -74.99 150.33 38.06 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.485 1.782 . . . . 0.0 111.035 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt -141.43 178.64 7.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.459 ' HG3' ' CE ' ' A' ' 86' ' ' MET . 1.5 ttt180 -107.06 157.4 17.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 29' ' ' LYS . . . -103.91 56.67 0.73 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.127 . . . . 0.0 109.33 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.575 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 0.4 OUTLIER -148.92 162.91 4.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.575 ' HB3' ' O ' ' A' ' 104' ' ' VAL . . . 76.22 -67.38 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.482 ' O ' ' C ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -58.4 -53.47 58.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.081 . . . . 0.0 110.289 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.482 ' C ' ' O ' ' A' ' 106' ' ' ARG . 1.7 pt-20 32.04 58.58 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -109.5 -176.9 3.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.355 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 13.8 t 54.56 89.65 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.024 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -163.83 75.16 0.17 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.445 1.091 . . . . 0.0 111.003 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 99.4 p -126.37 113.7 17.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 0.79 . . . . 0.0 109.975 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -102.69 158.14 17.95 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.47 1.106 . . . . 0.0 110.979 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 134.48 17.96 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.548 1.815 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.23 -58.79 2.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.006 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.57 101.8 5.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.034 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.952 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -120.62 147.38 45.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 0.774 . . . . 0.0 110.013 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.9 146.52 0.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.092 . . . . 0.0 110.016 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.66 168.26 41.35 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.47 1.106 . . . . 0.0 110.978 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.2 171.03 2.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 0.741 . . . . 0.0 109.969 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.02 169.63 0.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 110.025 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.43 136.16 3.91 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.565 1.166 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -140.71 174.41 10.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 0.748 . . . . 0.0 110.995 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -160.63 162.41 32.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.345 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.49 157.92 4.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.3 t -157.89 147.19 19.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 110.394 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -132.32 133.75 44.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -146.31 112.14 5.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.271 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.7 p -88.33 178.14 6.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.367 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.406 HG22 ' H ' ' A' ' 15' ' ' VAL . 1.5 m -47.87 120.51 7.84 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 104.06 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.535 1.808 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -85.54 -66.99 0.84 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 61.03 121.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 169.7 89.27 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 110.285 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.13 111.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.425 1.078 . . . . 0.0 109.271 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.29 177.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.25 162.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.68 -37.24 12.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.07 -24.23 65.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 29' ' ' LYS . 1.9 tp10 -75.2 -59.12 2.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.273 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -59.79 -24.42 64.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.312 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.5 m-30 -70.15 -37.01 75.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 110.98 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.7 mtm105 -99.57 -13.84 19.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.577 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 0.3 OUTLIER -91.47 116.67 29.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.52 HD21 ' HG2' ' A' ' 86' ' ' MET . 5.2 mp -110.49 146.12 36.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.36 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.642 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 30.2 t80 -98.32 103.6 15.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.974 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.733 HD11 ' CG2' ' A' ' 74' ' ' VAL . 3.9 mm -82.17 133.91 28.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.29 131.65 6.65 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.509 1.131 . . . . 0.0 111.017 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.639 ' O ' HG12 ' A' ' 98' ' ' VAL . . . 100.61 57.92 0.86 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.466 HD13 HD13 ' A' ' 44' ' ' LEU . 3.9 mt -99.41 9.31 43.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 0.762 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.587 ' O ' ' CG ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 74.11 -72.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.021 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.587 ' CG ' ' O ' ' A' ' 36' ' ' SER . 0.2 OUTLIER 164.34 -28.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.991 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.464 ' O ' HG23 ' A' ' 40' ' ' THR . 2.0 tt0 -87.97 -55.39 3.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.253 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 38' ' ' GLU . 1.1 m -36.9 98.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.116 . . . . 0.0 110.416 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.464 HG23 ' O ' ' A' ' 38' ' ' GLU . 80.7 p -81.63 -166.81 1.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.394 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.503 ' CG ' HG12 ' A' ' 59' ' ' VAL . 65.7 mt-10 -59.44 -55.34 35.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 43' ' ' SER . 2.2 mt-10 -57.35 -66.29 0.48 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 110.324 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 42' ' ' GLU . 3.3 m -38.58 -38.85 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.466 HD13 HD13 ' A' ' 35' ' ' LEU . 6.5 tp -74.6 -59.93 2.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -46.15 -46.17 17.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 110.309 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -46.83 -25.56 0.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.402 ' N ' ' C ' ' A' ' 45' ' ' ARG . 9.8 t80 -91.71 -47.33 7.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.613 ' CB ' HD11 ' A' ' 54' ' ' LEU . 39.1 m-85 -88.55 23.28 2.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 111.005 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 45' ' ' ARG . 1.1 mt-10 -98.81 -18.78 17.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -73.24 -60.64 2.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.351 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.635 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 7.3 m-90 -50.09 -36.34 29.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 107.988 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 179.97 155.81 16.36 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.506 1.129 . . . . 0.0 110.945 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.08 119.77 21.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.613 HD11 ' CB ' ' A' ' 48' ' ' TYR . 13.8 mt -75.62 125.87 29.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 34.5 p -86.11 -27.77 24.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.39 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -143.65 113.08 6.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 11.7 t -127.96 121.87 30.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 0.0 108.317 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.7 t -124.05 139.72 49.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.533 HG13 ' O ' ' A' ' 59' ' ' VAL . 11.9 p -124.43 108.98 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.365 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.579 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 34.3 mmt -57.76 149.25 22.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.474 ' NH1' HG13 ' A' ' 59' ' ' VAL . 2.0 mtm-85 -135.65 123.9 23.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.422 ' N ' ' HG3' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -40.99 124.2 2.0 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -25.6 11.64 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.52 1.8 . . . . 0.0 110.956 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -90.14 -49.18 6.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.6 m -72.09 -48.14 46.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 110.011 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 75.29 20.99 1.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.4 mtt85 -126.57 58.34 1.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.32 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.7 m 60.32 148.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.137 . . . . 0.0 109.966 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.562 ' HD3' ' CE2' ' A' ' 71' ' ' PHE . 3.4 mtt180 -91.93 -45.71 8.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.345 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 117.69 12.22 8.07 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.642 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 1.3 p90 -158.29 155.62 29.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 0.763 . . . . 0.0 110.978 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -164.85 -160.7 12.59 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.423 ' HA ' ' O ' ' A' ' 30' ' ' LEU . 4.5 m-85 -124.16 151.67 43.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.733 ' CG2' HD11 ' A' ' 32' ' ' ILE . 6.7 m -132.65 119.39 38.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.3 m -111.26 109.37 19.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.411 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.413 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 28.7 m-85 -73.16 -178.21 2.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.984 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.45 -44.41 10.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.998 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.55 176.32 5.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.01 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.45 ' O ' ' CG1' ' A' ' 82' ' ' VAL . 3.6 tpt -85.09 -30.17 24.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.435 ' O ' ' CB ' ' A' ' 83' ' ' ASP . . . -60.68 -62.34 1.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -43.03 -61.81 1.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.48 HG23 HD22 ' A' ' 30' ' ' LEU . 7.6 p -50.45 -32.72 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.435 ' CB ' ' O ' ' A' ' 80' ' ' ALA . 2.7 t0 -65.85 -35.1 79.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.14 -45.8 72.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.2 -48.04 81.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.52 ' HG2' HD21 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -50.12 -38.72 40.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -109.16 48.51 0.86 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.58 ' O ' ' CD2' ' A' ' 91' ' ' HIS . . . -136.59 46.35 2.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.505 ' CB ' ' HA ' ' A' ' 90' ' ' PRO . 4.1 mtm105 -106.25 160.88 24.64 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.323 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.505 ' HA ' ' CB ' ' A' ' 89' ' ' ARG . 18.4 Cg_endo -74.96 -174.91 14.95 Favored 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 121.004 -2.498 . . . . 0.0 110.998 0.013 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.635 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 7.1 m170 -127.13 126.3 42.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.603 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.4 p -115.88 112.88 22.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.971 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 5.4 mt -137.13 149.98 26.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.2 t70 64.51 12.55 7.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 85.12 1.25 88.61 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.553 1.158 . . . . 0.0 111.041 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.442 ' NH1' ' HB2' ' A' ' 96' ' ' ARG . 0.0 OUTLIER -115.71 162.4 17.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 0.731 . . . . 0.0 110.271 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 58.4 t -88.34 107.21 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.639 HG12 ' O ' ' A' ' 34' ' ' GLY . 1.6 m -88.03 -170.53 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.455 ' N ' HG23 ' A' ' 98' ' ' VAL . 3.6 pt-20 -158.25 109.44 1.71 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.153 . . . . 0.0 110.32 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 149.33 36.62 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.536 1.808 . . . . 0.0 110.995 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 25.7 mmtt -137.63 169.96 16.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.455 ' HG3' ' CE ' ' A' ' 86' ' ' MET . 5.8 mtp180 -102.7 141.18 35.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.28 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.577 ' HB3' ' O ' ' A' ' 29' ' ' LYS . . . -91.22 41.46 1.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.496 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 0.7 OUTLIER -142.86 159.39 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.496 ' HB3' ' O ' ' A' ' 104' ' ' VAL . . . 71.21 98.86 0.07 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 15.4 ttt180 -132.63 124.57 28.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.71 164.02 22.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.273 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.05 151.14 22.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.272 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.4 -58.13 1.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.999 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 112.71 127.47 4.78 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.5 m -119.88 153.14 36.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 0.742 . . . . 0.0 110.013 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -159.53 100.12 0.19 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.536 1.147 . . . . 0.0 110.967 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 114.89 4.13 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.538 1.809 . . . . 0.0 110.972 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 29.3 t -105.01 164.61 11.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 110.041 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.0 m -175.66 150.77 1.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.142 . . . . 0.0 110.026 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.9 147.33 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 0.785 . . . . 0.0 109.978 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.2 p -178.85 160.06 1.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.032 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.39 139.18 2.9 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.538 1.149 . . . . 0.0 110.966 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 p -175.99 116.32 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 0.735 . . . . 0.0 109.991 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 t -162.92 129.75 3.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.058 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.39 -164.79 10.92 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.523 1.139 . . . . 0.0 111.004 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.7 ptt? -178.82 124.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 0.759 . . . . 0.0 111.032 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -128.47 99.14 5.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.098 . . . . 0.0 110.303 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -116.02 -69.8 0.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 50.5 m 57.11 74.31 0.42 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 110.418 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.6 107.83 16.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.36 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.1 76.42 1.69 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.2 t -44.46 160.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.422 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 15' ' ' VAL . 26.6 m -119.96 119.43 31.03 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.262 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 164.71 32.86 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.489 1.784 . . . . 0.0 111.02 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.3 tp -40.43 -67.01 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.256 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -174.56 145.26 0.93 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.137 . . . . 0.0 110.292 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.03 133.67 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.33 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -102.26 -70.96 0.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? 73.69 -72.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -163.66 94.99 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.344 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.535 ' O ' ' CD1' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -92.71 -43.19 9.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.328 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.94 -24.76 67.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -77.96 -63.97 1.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.248 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -57.88 -19.23 27.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.319 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.535 ' CD1' ' O ' ' A' ' 23' ' ' GLU . 2.3 m-30 -69.51 -39.65 77.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.439 ' O ' HG23 ' A' ' 75' ' ' THR . 1.9 mtt-85 -121.04 36.66 4.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.708 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 1.2 tttt -127.68 112.65 15.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.588 HD22 HG23 ' A' ' 82' ' ' VAL . 6.8 mp -104.26 141.8 35.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.628 ' N ' ' HB2' ' A' ' 103' ' ' ALA . 29.4 t80 -102.61 108.66 20.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.627 HG22 HD21 ' A' ' 35' ' ' LEU . 6.5 mm -81.37 131.2 34.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.243 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.89 130.23 8.17 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 70' ' ' GLY . . . 81.62 76.26 1.08 Allowed Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.627 HD21 HG22 ' A' ' 32' ' ' ILE . 6.7 mt -97.0 -3.52 41.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 0.787 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.571 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 0.3 OUTLIER 83.82 -9.89 0.97 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.971 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.571 ' CG ' ' C ' ' A' ' 36' ' ' SER . 1.8 m-85 75.21 -2.35 2.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -113.98 4.71 15.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.3 m -102.24 108.91 20.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.415 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 35.2 p -77.81 158.47 29.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 110.407 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.683 ' CG ' HG12 ' A' ' 59' ' ' VAL . 85.8 mt-10 -40.44 -54.13 2.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 110.311 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 43' ' ' SER . 3.7 tt0 -56.8 -60.8 3.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 110.301 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 42' ' ' GLU . 0.6 OUTLIER -38.76 -53.54 1.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.981 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.602 HD21 ' CG1' ' A' ' 74' ' ' VAL . 1.9 tp -57.23 -50.97 71.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.541 ' CG ' HD12 ' A' ' 54' ' ' LEU . 8.8 mtm180 -52.63 -56.03 18.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 110.319 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.4 t30 -39.83 -29.95 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.666 ' CD2' HD11 ' A' ' 93' ' ' ILE . 13.5 t80 -90.82 -44.67 9.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 111.022 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -89.22 24.47 2.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 45' ' ' ARG . 0.5 OUTLIER -99.11 -31.81 11.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -63.23 -51.81 64.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.625 ' CZ2' ' NE2' ' A' ' 91' ' ' HIS . 5.2 m-90 -54.63 -41.27 69.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.122 . . . . 0.0 108.026 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.02 167.18 39.2 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.492 1.12 . . . . 0.0 111.048 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -85.94 116.97 24.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 0.781 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.541 HD12 ' CG ' ' A' ' 45' ' ' ARG . 30.8 mt -72.3 131.58 42.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.344 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 30.5 p -95.6 -15.44 22.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.397 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -159.08 118.16 2.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.45 ' SG ' ' NE ' ' A' ' 45' ' ' ARG . 6.2 p -125.7 121.65 34.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 108.316 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.2 t -130.7 138.62 53.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.683 HG12 ' CG ' ' A' ' 41' ' ' GLU . 7.3 p -124.46 115.78 45.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.574 ' HG3' ' CE1' ' A' ' 71' ' ' PHE . 36.6 mmt -68.17 136.27 53.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 111.037 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 62' ' ' ASP . 7.1 mtp180 -133.96 128.49 34.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.353 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 67' ' ' ARG . 0.4 OUTLIER -39.92 129.34 1.56 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -32.62 5.26 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.491 1.785 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -87.17 -46.32 9.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.36 -36.92 68.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.993 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 74.86 23.53 1.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 62' ' ' ASP . 6.2 mtp180 -122.11 154.61 37.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 0.0 110.341 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 18.8 m -58.96 124.78 21.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.022 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -65.18 -24.58 67.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.318 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' GLY . . . 100.07 25.13 9.16 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.62 ' CD1' ' CE2' ' A' ' 31' ' ' PHE . 2.1 p90 -160.34 148.8 16.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 0.761 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -159.77 -158.41 9.15 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.541 1.151 . . . . 0.0 110.974 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.4 ' HA ' ' O ' ' A' ' 30' ' ' LEU . 6.2 m-85 -131.39 145.78 51.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.762 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.602 ' CG1' HD21 ' A' ' 44' ' ' LEU . 26.4 m -131.13 108.75 15.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.439 HG23 ' O ' ' A' ' 28' ' ' ARG . 1.9 m -96.94 108.99 21.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.402 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.465 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 21.6 m-85 -73.51 -176.16 2.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.55 -32.25 10.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.034 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.6 t -123.29 170.8 9.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.02 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.441 ' HA ' ' CG1' ' A' ' 82' ' ' VAL . 0.1 OUTLIER -85.8 -33.29 21.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 111.005 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.13 -60.33 3.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.563 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 83.6 mt-10 -44.84 -60.67 1.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.588 HG23 HD22 ' A' ' 30' ' ' LEU . 7.5 p -52.88 -44.63 49.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.5 -31.3 61.92 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.658 ' O ' ' HB2' ' A' ' 88' ' ' ALA . . . -68.25 -52.15 37.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.426 1.079 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -51.01 -35.77 35.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.559 ' SD ' HD21 ' A' ' 30' ' ' LEU . 93.1 mmm -64.24 -58.07 7.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -92.18 37.03 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.658 ' HB2' ' O ' ' A' ' 84' ' ' ALA . . . -112.39 -31.93 6.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.507 ' CG ' ' HA ' ' A' ' 90' ' ' PRO . 0.3 OUTLIER -40.26 160.75 0.11 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.327 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.594 ' O ' ' CD2' ' A' ' 91' ' ' HIS . 18.3 Cg_endo -75.03 -179.29 26.17 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 121.008 -2.497 . . . . 0.0 110.96 0.032 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.625 ' NE2' ' CZ2' ' A' ' 51' ' ' TRP . 32.8 m170 -145.82 147.81 32.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.644 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.791 ' O ' HD13 ' A' ' 93' ' ' ILE . 50.7 m -132.39 134.86 45.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.961 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.791 HD13 ' O ' ' A' ' 92' ' ' SER . 10.6 mm -133.14 133.43 58.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.9 t70 69.78 7.59 6.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.092 . . . . 0.0 109.246 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 100.94 -9.96 58.44 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.49 1.118 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.495 ' CZ ' ' HB2' ' A' ' 96' ' ' ARG . 0.0 OUTLIER -94.33 162.67 13.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 0.0 110.287 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 17.3 t -95.32 112.98 28.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 1.9 m -94.03 -179.0 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -155.53 108.58 2.2 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.411 ' HD2' ' NE ' ' A' ' 89' ' ' ARG . 18.1 Cg_endo -75.02 161.88 37.99 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.492 1.785 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt -139.94 155.66 47.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.081 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.695 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 3.4 ttt180 -61.16 -36.08 78.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.708 ' HB3' ' O ' ' A' ' 29' ' ' LYS . . . 83.72 -6.18 1.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.338 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.5 t -99.39 150.86 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 64.23 108.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.56 -71.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -51.13 160.32 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.327 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -150.03 153.34 36.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.333 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 77.8 p -107.49 131.38 54.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 110.041 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -96.22 -68.53 0.99 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.2 155.58 44.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 0.759 . . . . 0.0 110.069 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -121.87 156.0 16.69 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.499 1.124 . . . . 0.0 111.02 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 150.29 38.21 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.506 1.793 . . . . 0.0 111.038 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.69 128.28 49.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.98 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.5 m -83.68 103.47 13.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.975 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.128 . . . . 0.0 111.002 179.97 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.37 153.62 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 0.0 109.989 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.6 p -165.6 162.72 19.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.996 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.76 117.47 1.14 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.491 1.12 . . . . 0.0 111.008 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.9 p 179.64 150.26 0.34 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 0.764 . . . . 0.0 110.03 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.8 171.81 1.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.05 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.96 133.51 6.36 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.12 . . . . 0.0 110.987 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -170.72 143.35 2.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 0.728 . . . . 0.0 110.983 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -150.59 -72.81 0.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.315 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.64 166.06 0.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 109.243 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.681 ' O ' HG22 ' A' ' 11' ' ' THR . 3.2 m 60.41 54.05 4.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 110.386 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.2 mt -126.48 157.11 39.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 61.2 148.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.4 m -130.04 129.26 43.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 110.448 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.3 m -93.67 153.59 41.15 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 140.65 25.66 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.508 1.794 . . . . 0.0 110.985 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.3 mp -103.59 159.16 15.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 109.279 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -166.67 134.98 2.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 31.8 ptt180 -68.41 145.13 54.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.0 mmtm -125.81 133.35 52.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.31 174.97 7.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.9 mmt180 66.61 131.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.313 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -95.77 -51.34 4.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.79 -33.35 64.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 29' ' ' LYS . 23.9 tt0 -66.85 -64.97 0.74 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -55.38 -18.03 5.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 110.289 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -75.02 -37.59 61.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 111.029 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.453 ' NH2' ' O ' ' A' ' 76' ' ' PHE . 10.9 mtp-105 -107.55 -2.13 20.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.557 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -97.13 118.15 32.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.27 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.635 HD22 HG23 ' A' ' 82' ' ' VAL . 6.9 mp -106.6 149.73 26.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.801 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 6.9 t80 -111.29 112.23 23.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.53 HG22 HD21 ' A' ' 35' ' ' LEU . 8.3 mm -84.67 133.64 28.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.68 130.13 7.77 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.517 1.135 . . . . 0.0 111.015 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.52 ' C ' HD23 ' A' ' 35' ' ' LEU . . . 86.2 74.98 1.26 Allowed Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.53 HD21 HG22 ' A' ' 32' ' ' ILE . 2.9 mt -98.76 1.0 45.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 0.78 . . . . 0.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.525 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 0.2 OUTLIER 72.38 -3.33 2.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 110.038 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.525 ' CG ' ' C ' ' A' ' 36' ' ' SER . 0.8 OUTLIER 71.87 -0.96 3.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 111.042 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.404 ' C ' ' OD2' ' A' ' 94' ' ' ASP . 0.0 OUTLIER -115.35 19.51 15.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.316 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.23 106.71 12.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.377 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 41.6 p -78.66 168.8 19.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.404 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.487 ' CG ' HG12 ' A' ' 59' ' ' VAL . 58.2 mt-10 -45.63 -55.16 6.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.278 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 45' ' ' ARG . 0.3 OUTLIER -59.6 -59.44 5.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.264 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.2 m -43.11 -31.27 0.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 109.994 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.591 HD23 ' SG ' ' A' ' 57' ' ' CYS . 0.8 OUTLIER -82.62 -42.09 18.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.653 ' HG2' HD12 ' A' ' 54' ' ' LEU . 8.3 mtm-85 -61.08 -45.61 94.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 0.0 110.275 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 29.4 t30 -52.22 -21.81 3.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.246 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.673 ' CD2' HD11 ' A' ' 93' ' ' ILE . 27.7 t80 -93.45 -43.67 8.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.982 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.741 ' CB ' HD11 ' A' ' 54' ' ' LEU . 24.2 m-85 -93.1 22.75 4.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 111.044 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 45' ' ' ARG . 3.1 mt-10 -98.9 -23.53 15.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.507 1.129 . . . . 0.0 110.33 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -72.24 -36.32 69.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.66 ' CH2' ' CE1' ' A' ' 91' ' ' HIS . 6.5 m0 -74.38 -45.54 46.24 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -169.02 165.66 39.09 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.07 110.18 19.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 0.794 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.741 HD11 ' CB ' ' A' ' 48' ' ' TYR . 18.2 mt -69.78 112.48 6.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 75' ' ' THR . 40.0 p -55.38 -32.72 62.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 110.416 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -160.79 138.63 9.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.591 ' SG ' HD23 ' A' ' 44' ' ' LEU . 32.2 t -128.48 123.77 34.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 108.325 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.9 t -119.66 136.55 56.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.487 HG12 ' CG ' ' A' ' 41' ' ' GLU . 14.7 p -124.6 119.46 56.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.565 ' HG3' ' CE1' ' A' ' 71' ' ' PHE . 33.4 mmt -71.82 135.47 46.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -133.28 126.36 31.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.335 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 66' ' ' LYS . 1.6 t0 -41.14 124.52 2.09 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.259 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -21.12 16.21 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.465 1.771 . . . . 0.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -95.94 -46.42 6.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.78 -32.69 57.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.997 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 62' ' ' ASP . 0.3 OUTLIER 75.47 15.69 2.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -113.99 145.22 41.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.7 t -46.18 133.06 9.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.02 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -27.16 66.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.334 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 102.12 16.37 23.43 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.801 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 1.3 p90 -159.18 147.11 17.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 0.749 . . . . 0.0 110.961 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -153.06 -159.82 9.3 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.478 1.111 . . . . 0.0 110.972 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.447 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 1.6 m-85 -133.93 151.24 51.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 111.056 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.543 ' CG1' HD21 ' A' ' 44' ' ' LEU . 26.7 m -135.28 122.54 36.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 55' ' ' THR . 5.6 m -104.98 104.94 14.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 110.38 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.562 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 27.2 m-85 -68.88 169.5 11.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.977 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.25 -34.26 17.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.961 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.3 m -127.83 171.87 11.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.01 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.457 ' HA ' ' CG1' ' A' ' 82' ' ' VAL . 1.3 tpt -83.28 -26.76 30.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.138 . . . . 0.0 110.991 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.21 -60.6 3.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.667 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 6.3 mt-10 -45.76 -61.25 1.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.34 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.635 HG23 HD22 ' A' ' 30' ' ' LEU . 7.6 p -51.29 -47.2 34.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.31 -21.9 38.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.667 ' HB3' ' O ' ' A' ' 81' ' ' GLU . . . -77.23 -65.69 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.356 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -40.3 -47.68 2.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.581 ' SD ' HD21 ' A' ' 30' ' ' LEU . 95.0 mmm -51.13 -54.82 21.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -92.75 51.08 1.66 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.52 ' O ' ' CD2' ' A' ' 91' ' ' HIS . . . -141.88 40.3 1.67 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.506 ' CB ' ' HA ' ' A' ' 90' ' ' PRO . 26.2 mtm-85 -95.4 161.02 29.27 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.27 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.506 ' HA ' ' CB ' ' A' ' 89' ' ' ARG . 18.4 Cg_endo -74.96 -177.53 20.76 Favored 'Cis proline' 0 C--N 1.361 1.194 0 C-N-CA 120.986 -2.506 . . . . 0.0 111.0 -0.063 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.66 ' CE1' ' CH2' ' A' ' 51' ' ' TRP . 7.9 m170 -125.36 130.28 51.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.613 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 p -121.74 114.41 21.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.673 HD11 ' CD2' ' A' ' 47' ' ' TYR . 9.6 mt -137.12 148.34 26.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.404 ' OD2' ' C ' ' A' ' 38' ' ' GLU . 7.3 t0 65.65 12.3 8.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 85.67 7.24 82.0 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -121.5 168.11 12.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 0.741 . . . . 0.0 110.322 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 98.2 t -93.65 105.92 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.447 HG12 ' O ' ' A' ' 34' ' ' GLY . 1.5 m -90.3 -173.22 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.414 ' N ' HG23 ' A' ' 98' ' ' VAL . 4.4 pt-20 -155.79 108.73 2.15 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.301 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.418 ' HG3' ' ND1' ' A' ' 91' ' ' HIS . 18.3 Cg_endo -74.98 160.79 39.79 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.493 1.786 . . . . 0.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.3 mttm -138.75 158.67 43.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.633 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 10.4 ttt180 -69.66 -37.91 76.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 110.311 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.633 ' HB3' ' O ' ' A' ' 102' ' ' ARG . . . 79.49 41.6 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.527 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 0.7 OUTLIER -143.19 165.52 15.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 104' ' ' VAL . . . 72.73 65.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -156.24 87.99 1.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 110.291 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -162.45 156.67 21.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.318 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -154.54 90.99 1.36 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 110.301 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.56 128.31 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.001 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -139.18 146.94 18.78 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.438 1.086 . . . . 0.0 110.992 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.8 167.7 0.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 0.753 . . . . 0.0 110.023 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 161.53 111.76 0.28 Allowed Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.494 1.121 . . . . 0.0 111.052 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -49.78 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.459 1.768 . . . . 0.0 110.993 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.6 m 62.16 156.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.998 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 59.8 p -158.22 166.76 31.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.023 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.509 1.131 . . . . 0.0 111.012 179.98 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 69.87 145.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 0.752 . . . . 0.0 109.985 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m 176.95 163.46 0.47 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.988 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.43 -107.03 0.2 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.526 1.141 . . . . 0.0 111.016 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 m 61.8 131.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 0.775 . . . . 0.0 109.991 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 177.18 170.95 0.55 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.986 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.08 164.63 27.95 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.451 1.094 . . . . 0.0 111.011 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -178.83 173.13 1.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 0.75 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -170.25 139.59 1.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.27 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -138.49 113.25 9.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.9 p -89.74 150.65 22.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.081 . . . . 0.0 110.414 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 mt -155.96 132.5 10.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -154.65 125.34 7.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.449 ' O ' HG13 ' A' ' 15' ' ' VAL . 5.2 t -167.09 144.71 4.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.411 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.449 HG13 ' O ' ' A' ' 14' ' ' THR . 27.2 m -155.14 153.64 27.42 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.23 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -164.34 0.23 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.468 1.772 . . . . 0.0 110.979 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -164.5 72.26 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -144.02 168.47 19.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -160.61 160.1 31.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.263 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 tttp 175.3 117.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 62.07 150.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.0 mtp180 39.8 67.55 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 110.324 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.448 ' O ' ' CD1' ' A' ' 27' ' ' PHE . 1.1 mp0 -91.74 -58.62 2.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.11 -15.28 44.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.25 -64.48 1.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.282 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -55.84 -18.44 8.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.298 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.448 ' CD1' ' O ' ' A' ' 23' ' ' GLU . 2.0 m-30 -69.05 -47.87 64.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.4 mtm180 -94.9 -14.39 24.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.251 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -87.19 112.91 22.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.882 HD21 ' SD ' ' A' ' 86' ' ' MET . 0.9 OUTLIER -102.48 165.69 10.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.736 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 11.6 t80 -121.74 112.4 18.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.991 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.652 HD12 ' CZ ' ' A' ' 48' ' ' TYR . 8.1 mm -87.66 120.2 36.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.68 119.63 4.01 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.509 1.131 . . . . 0.0 111.015 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.61 ' O ' HG12 ' A' ' 98' ' ' VAL . . . 121.1 34.04 0.92 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.712 HD21 HD13 ' A' ' 44' ' ' LEU . 2.2 mp -79.2 2.6 20.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 0.762 . . . . 0.0 109.339 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.559 ' O ' ' CG ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 72.04 -66.26 0.31 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 110.015 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.559 ' CG ' ' O ' ' A' ' 36' ' ' SER . 0.2 OUTLIER 166.74 -28.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.659 ' O ' HG23 ' A' ' 40' ' ' THR . 6.9 mt-10 -83.78 -55.61 4.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 110.274 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 38' ' ' GLU . 1.0 OUTLIER -37.49 96.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.392 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.659 HG23 ' O ' ' A' ' 38' ' ' GLU . 79.3 p -86.12 -159.88 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.417 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.666 ' CG ' HG12 ' A' ' 59' ' ' VAL . 34.2 mt-10 -65.13 -51.38 61.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.16 . . . . 0.0 110.328 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 45' ' ' ARG . 1.6 tt0 -58.11 -69.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 110.322 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 42' ' ' GLU . 4.8 m -38.6 -55.4 1.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 110.02 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.766 HD21 ' CG1' ' A' ' 74' ' ' VAL . 0.9 OUTLIER -51.15 -46.98 62.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.604 ' CG ' HD12 ' A' ' 54' ' ' LEU . 9.2 mtp180 -66.66 -50.71 62.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -46.32 -25.59 0.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.769 ' CD2' HD11 ' A' ' 93' ' ' ILE . 77.3 t80 -92.7 -45.76 7.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.652 ' CZ ' HD12 ' A' ' 32' ' ' ILE . 20.6 m-85 -87.98 20.74 2.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.976 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 45' ' ' ARG . 2.8 mt-10 -99.28 -16.73 18.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.266 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.401 ' CD ' ' O ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -83.36 -7.67 59.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.312 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.623 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 7.9 m0 -105.33 -36.95 7.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 108.023 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.99 166.42 37.59 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.487 1.117 . . . . 0.0 111.042 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.59 109.35 20.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 0.767 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.637 HD13 ' CG1' ' A' ' 74' ' ' VAL . 17.8 mt -69.11 104.27 2.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 75' ' ' THR . 36.0 p -59.92 -14.73 17.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 110.407 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -160.92 117.77 2.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.404 ' O ' ' SG ' ' A' ' 57' ' ' CYS . 27.3 p -122.61 116.6 24.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 108.275 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.8 t -121.75 139.04 50.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.108 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.666 HG12 ' CG ' ' A' ' 41' ' ' GLU . 7.7 p -124.56 112.32 31.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.564 ' HG3' ' CE1' ' A' ' 71' ' ' PHE . 35.4 mmt -64.03 147.15 52.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 111.027 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.415 ' HA ' ' N ' ' A' ' 69' ' ' ARG . 19.3 mtt180 -139.3 132.1 29.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.27 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 66' ' ' LYS . 46.2 m-20 -45.6 124.98 6.22 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.354 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -18.55 18.54 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.48 1.779 . . . . 0.0 110.978 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -97.78 -41.86 7.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.88 -47.86 12.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.977 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER 72.06 26.78 2.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 45.7 mtt-85 -124.95 48.12 2.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 49.2 m 61.15 145.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.039 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.425 ' HG2' ' N ' ' A' ' 62' ' ' ASP . 0.2 OUTLIER -90.63 -41.13 11.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.317 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 115.22 17.81 6.55 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.736 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 1.8 p90 -160.29 152.14 20.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 0.777 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -157.99 -158.46 8.99 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.525 1.141 . . . . 0.0 110.98 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.408 ' HA ' ' O ' ' A' ' 30' ' ' LEU . 3.1 m-85 -132.4 151.07 52.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 0.759 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.766 ' CG1' HD21 ' A' ' 44' ' ' LEU . 28.7 m -134.33 112.5 16.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 55' ' ' THR . 19.9 m -100.5 98.26 8.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.514 1.134 . . . . 0.0 110.387 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.573 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 30.1 m-85 -67.26 172.48 4.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.27 -54.5 6.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.936 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.3 m -112.61 174.05 6.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.984 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.441 ' HA ' ' CG1' ' A' ' 82' ' ' VAL . 0.8 OUTLIER -87.83 -10.91 49.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.34 -59.54 2.7 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 109.339 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.624 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 3.8 mm-40 -48.51 -60.4 2.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.573 ' HB ' ' CD2' ' A' ' 76' ' ' PHE . 6.4 p -49.16 -44.6 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.45 -30.61 65.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.624 ' HB3' ' O ' ' A' ' 81' ' ' GLU . . . -63.72 -60.46 3.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.351 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -45.32 -50.64 11.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.882 ' SD ' HD21 ' A' ' 30' ' ' LEU . 98.8 mmm -47.68 -51.56 21.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 111.025 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -91.52 47.33 1.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -141.77 27.38 1.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.486 ' HA ' ' C ' ' A' ' 90' ' ' PRO . 0.5 OUTLIER -82.84 158.79 64.54 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.486 ' C ' ' HA ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -75.03 -174.91 14.99 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 121.016 -2.493 . . . . 0.0 111.001 0.02 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.623 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 18.8 m170 -127.06 136.93 52.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.581 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.532 ' O ' ' CE1' ' A' ' 47' ' ' TYR . 4.6 p -127.88 114.75 17.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.971 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.769 HD11 ' CD2' ' A' ' 47' ' ' TYR . 15.9 mt -134.61 150.6 30.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.1 t0 62.93 14.31 7.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.9 12.21 81.57 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.479 1.112 . . . . 0.0 110.96 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.444 ' HD3' ' CB ' ' A' ' 36' ' ' SER . 7.0 ptm180 -127.75 168.15 15.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 72.7 t -88.53 116.5 30.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.61 HG12 ' O ' ' A' ' 34' ' ' GLY . 1.5 m -99.16 -173.17 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.354 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.421 ' N ' HG23 ' A' ' 98' ' ' VAL . 5.9 pt-20 -159.19 109.39 1.54 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 110.266 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 162.43 37.19 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.458 1.767 . . . . 0.0 111.004 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.401 ' HD2' ' CD1' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -141.91 140.67 32.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.424 ' HB3' HG13 ' A' ' 104' ' ' VAL . 0.0 OUTLIER -54.63 -21.4 10.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.273 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.416 ' HB2' ' N ' ' A' ' 31' ' ' PHE . . . 66.81 41.23 2.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.424 HG13 ' HB3' ' A' ' 102' ' ' ARG . 35.6 m -112.75 158.02 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.422 ' O ' ' CB ' ' A' ' 106' ' ' ARG . . . 61.02 150.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.254 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.422 ' CB ' ' O ' ' A' ' 105' ' ' ALA . 0.2 OUTLIER 78.34 159.42 0.19 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 110.304 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 77.82 141.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.138 . . . . 0.0 110.323 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 68.76 117.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.277 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.2 t -158.73 160.56 36.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.995 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -76.86 -178.99 47.56 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.501 1.126 . . . . 0.0 110.986 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -154.84 -64.71 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 0.747 . . . . 0.0 110.013 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 104.26 100.15 2.6 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 176.21 10.21 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.504 1.791 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 17.7 p -159.24 165.49 33.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.971 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.2 t -179.69 161.88 1.04 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.042 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.473 1.108 . . . . 0.0 111.035 -179.994 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.02 135.86 53.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 0.75 . . . . 0.0 110.013 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.6 m -151.88 135.88 16.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.031 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -43.92 163.52 0.05 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.2 p -81.9 104.16 12.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 0.766 . . . . 0.0 110.009 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.1 m -163.92 81.37 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 110.01 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.68 63.16 0.61 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.478 1.111 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -152.89 168.13 26.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 0.796 . . . . 0.0 110.993 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 52.52 102.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.7 tttt -118.8 116.55 26.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 74.7 p -112.49 167.42 10.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 110.393 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -172.49 114.04 0.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.352 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -118.45 151.96 36.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.231 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.5 m -77.93 157.6 29.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.352 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.3 m -129.03 154.55 80.41 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.448 ' C ' HD23 ' A' ' 17' ' ' LEU . 18.5 Cg_endo -74.98 177.27 8.8 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.509 1.794 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.448 HD23 ' C ' ' A' ' 16' ' ' PRO . 0.4 OUTLIER -172.94 97.89 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -168.32 162.13 12.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.88 136.67 1.39 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.45 1.094 . . . . 0.0 110.311 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -152.86 172.92 16.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.98 -175.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.78 92.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.282 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.76 -45.2 7.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 110.292 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.414 ' C ' ' N ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -97.99 -56.72 2.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 29' ' ' LYS . 2.1 tt0 -43.48 -26.64 0.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.338 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.414 ' N ' ' C ' ' A' ' 24' ' ' LYS . 14.1 pt20 -55.45 -18.67 7.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.278 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -77.7 -42.7 33.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 68.5 mtt180 -95.15 -7.37 39.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 110.291 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.79 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 0.5 OUTLIER -90.53 114.44 26.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.543 HD22 HG23 ' A' ' 82' ' ' VAL . 10.7 mp -107.06 136.38 47.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.738 ' CE2' ' CD1' ' A' ' 71' ' ' PHE . 23.0 t80 -93.13 109.49 20.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.989 HG21 HD11 ' A' ' 44' ' ' LEU . 15.8 mm -78.71 126.7 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.96 112.57 1.49 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.886 ' O ' HG12 ' A' ' 98' ' ' VAL . . . 123.91 36.74 0.61 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.688 HD13 ' HA ' ' A' ' 71' ' ' PHE . 5.5 mp -77.37 -8.79 58.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 0.78 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.538 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER 65.91 9.98 6.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.988 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.538 ' CG ' ' C ' ' A' ' 36' ' ' SER . 2.5 m-85 75.43 -2.25 2.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.143 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.463 ' O ' HG23 ' A' ' 40' ' ' THR . 4.2 mt-10 -101.2 -52.06 3.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.468 HG22 ' O ' ' A' ' 39' ' ' THR . 0.9 OUTLIER -49.98 97.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.442 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.463 HG23 ' O ' ' A' ' 38' ' ' GLU . 18.6 p -82.01 -172.67 4.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.395 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -54.05 -55.8 24.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.327 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -56.02 -70.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.327 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.5 m -38.24 -58.35 0.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 110.032 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.989 HD11 HG21 ' A' ' 32' ' ' ILE . 13.6 tp -45.75 -60.36 2.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.524 ' HG2' HD12 ' A' ' 54' ' ' LEU . 14.7 mtp180 -56.56 -50.0 73.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.173 . . . . 0.0 110.306 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 45' ' ' ARG . 5.6 t30 -40.25 -29.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.59 ' CE1' ' O ' ' A' ' 92' ' ' SER . 65.7 t80 -94.37 -43.4 8.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.761 ' CZ ' HD12 ' A' ' 32' ' ' ILE . 41.8 m-85 -87.1 21.96 2.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 45' ' ' ARG . 2.1 mt-10 -99.08 -17.23 18.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.246 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -74.45 -61.87 1.72 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.607 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 7.6 m-90 -51.31 -40.62 59.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 107.999 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 48' ' ' TYR . . . -175.86 170.62 43.6 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.08 127.3 37.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 0.732 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.57 HD11 ' CB ' ' A' ' 48' ' ' TYR . 10.5 mt -81.71 110.23 16.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 75' ' ' THR . 34.2 p -59.43 -21.14 59.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 110.398 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -160.9 127.08 3.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.544 ' SG ' HD23 ' A' ' 44' ' ' LEU . 8.4 t -128.29 122.37 31.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 108.311 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.3 t -127.33 139.53 51.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.3 p -124.26 118.54 54.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.335 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.567 ' HG3' ' CE1' ' A' ' 71' ' ' PHE . 34.5 mmt -68.57 142.85 55.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.5 mtp180 -136.7 137.74 40.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.256 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 66' ' ' LYS . 1.6 t0 -53.56 124.34 40.93 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -13.5 21.44 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.514 1.797 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -104.73 -43.23 5.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.76 -17.17 42.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.999 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 62' ' ' ASP . 6.2 mmtt 56.31 38.15 29.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.59 144.73 42.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.46 130.73 5.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -66.13 -27.44 68.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.257 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 108.14 17.5 10.8 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.738 ' CD1' ' CE2' ' A' ' 31' ' ' PHE . 4.7 p90 -161.05 154.75 22.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 0.774 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -156.72 -161.25 10.62 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.472 1.107 . . . . 0.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.433 ' CD1' ' NZ ' ' A' ' 29' ' ' LYS . 8.7 m-85 -131.59 144.92 51.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 0.744 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.558 ' CG1' HD13 ' A' ' 54' ' ' LEU . 27.4 m -131.97 115.96 28.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 55' ' ' THR . 12.9 m -101.12 98.96 9.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 110.411 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.52 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 17.4 m-85 -65.26 156.59 31.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.415 ' HA ' ' CG2' ' A' ' 55' ' ' THR . 1.0 OUTLIER -69.76 -51.45 33.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.001 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 t -111.62 175.69 5.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.009 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.461 ' O ' ' CG1' ' A' ' 82' ' ' VAL . 0.6 OUTLIER -87.39 -30.19 20.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.963 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.11 -62.55 1.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -42.96 -62.45 1.02 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.543 HG23 HD22 ' A' ' 30' ' ' LEU . 7.4 p -51.23 -43.45 28.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.342 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.13 -37.43 66.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.577 ' O ' ' HB2' ' A' ' 88' ' ' ALA . . . -70.76 -41.07 72.24 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.52 1.137 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.09 -29.34 69.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.358 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.411 ' HG2' HD21 ' A' ' 30' ' ' LEU . 1.1 mtp -67.28 -39.12 86.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.997 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -110.85 38.94 2.36 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.15 . . . . 0.0 109.307 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.577 ' HB2' ' O ' ' A' ' 84' ' ' ALA . . . -111.05 -23.81 10.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.501 ' HA ' ' C ' ' A' ' 90' ' ' PRO . 0.1 OUTLIER -42.0 154.35 0.26 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -75.05 155.1 99.93 Favored 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 120.987 -2.506 . . . . 0.0 111.045 0.02 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.607 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 8.0 m170 -103.0 118.98 38.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.63 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.59 ' O ' ' CE1' ' A' ' 47' ' ' TYR . 74.7 p -106.82 125.53 51.13 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.507 1.129 . . . . 0.0 110.047 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.561 HG12 ' CD2' ' A' ' 47' ' ' TYR . 12.7 mt -134.51 123.7 43.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 59.28 29.99 19.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 109.273 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.43 -8.77 60.55 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.488 1.118 . . . . 0.0 110.987 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.447 ' O ' ' HA ' ' A' ' 92' ' ' SER . 0.0 OUTLIER -80.48 158.46 25.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.776 . . . . 0.0 110.32 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 99.3 t -105.84 84.58 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.886 HG12 ' O ' ' A' ' 34' ' ' GLY . 1.1 m -83.58 170.54 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -151.52 111.2 2.98 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.287 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.466 ' HD2' ' CD ' ' A' ' 89' ' ' ARG . 18.2 Cg_endo -75.01 157.72 42.56 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.518 1.799 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.4 mmmt -134.44 160.21 38.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.604 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 0.3 OUTLIER -60.5 -36.95 79.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.79 ' HB3' ' O ' ' A' ' 29' ' ' LYS . . . 77.91 49.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 27.9 m -121.86 175.33 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.27 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -83.65 -65.02 1.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.352 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 -128.33 133.76 48.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.23 130.5 43.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.307 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 109' ' ' SER . 3.4 tp10 -171.06 146.39 2.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.26 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.409 ' N ' ' HG3' ' A' ' 108' ' ' GLU . 0.1 OUTLIER -52.16 153.71 2.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.009 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 175.21 -116.88 0.59 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.523 1.139 . . . . 0.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.9 m 59.89 106.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 0.757 . . . . 0.0 109.984 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -168.69 75.86 0.11 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.485 1.116 . . . . 0.0 111.048 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 157.15 43.03 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.467 1.772 . . . . 0.0 111.004 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -173.12 157.2 3.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.976 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.9 135.54 43.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.963 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.533 1.146 . . . . 0.0 111.0 -179.978 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -175.0 152.85 1.55 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 0.771 . . . . 0.0 110.033 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.3 p -167.52 153.13 7.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.987 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.27 -79.07 0.04 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.464 1.103 . . . . 0.0 111.06 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.3 123.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.497 0.763 . . . . 0.0 110.021 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.8 158.77 2.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.428 1.08 . . . . 0.0 110.004 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.04 123.23 0.81 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.493 1.121 . . . . 0.0 111.028 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -166.64 138.26 3.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 0.776 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -141.89 163.01 34.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.322 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.1 ptpt -160.97 170.02 21.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.0 t -136.13 124.94 23.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 110.428 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.0 mt -130.03 159.27 37.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.259 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.457 ' O ' HG13 ' A' ' 15' ' ' VAL . 1.8 mp0 -131.45 143.29 50.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.52 131.8 51.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.42 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.478 ' O ' HG23 ' A' ' 15' ' ' VAL . 21.2 m -123.46 114.84 28.68 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 152.42 40.99 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.551 1.817 . . . . 0.0 111.017 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -176.01 130.83 0.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -78.46 81.58 4.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 110.285 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 169.84 161.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.282 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 68.03 166.79 0.25 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.82 109.47 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.258 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.7 158.75 33.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 110.339 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -93.91 -44.57 8.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.54 -56.76 2.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -43.3 -41.75 4.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.318 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.47 ' HB2' ' CG2' ' A' ' 104' ' ' VAL . 0.0 OUTLIER -45.03 -26.72 0.47 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 110.31 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 11.0 m-30 -59.35 -50.01 75.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.43 ' O ' HG23 ' A' ' 75' ' ' THR . 0.2 OUTLIER -115.12 44.43 1.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.267 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.442 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -125.69 121.82 34.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.6 HD22 HG23 ' A' ' 82' ' ' VAL . 6.7 mp -119.18 149.21 42.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.589 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 20.9 t80 -109.8 104.59 13.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 111.027 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.661 HG22 HD21 ' A' ' 35' ' ' LEU . 5.6 mm -82.19 131.66 33.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.55 142.0 13.27 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.488 1.117 . . . . 0.0 110.973 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.51 ' O ' HG12 ' A' ' 98' ' ' VAL . . . 87.77 58.8 1.77 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.661 HD21 HG22 ' A' ' 32' ' ' ILE . 7.0 mt -95.95 8.83 42.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 0.796 . . . . 0.0 109.345 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.569 ' O ' ' CG ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 76.26 -69.91 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.047 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.569 ' CG ' ' O ' ' A' ' 36' ' ' SER . 0.2 OUTLIER 159.86 -25.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 39' ' ' THR . 0.0 OUTLIER -85.66 -49.48 7.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 110.256 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.407 ' CG2' HD13 ' A' ' 35' ' ' LEU . 1.0 OUTLIER -36.88 99.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.387 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 41' ' ' GLU . 0.7 OUTLIER -84.55 160.98 20.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 110.388 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.515 ' HG3' HG12 ' A' ' 59' ' ' VAL . 1.2 tt0 -37.54 -66.42 0.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -48.16 -59.09 3.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.105 . . . . 0.0 110.264 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.8 m -40.74 -56.83 2.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.955 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.508 HD13 ' CD1' ' A' ' 35' ' ' LEU . 7.1 tp -49.08 -52.73 23.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.519 ' CG ' HD12 ' A' ' 54' ' ' LEU . 14.9 mtp180 -55.52 -49.96 71.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -47.93 -25.8 1.48 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.823 ' CD2' HD11 ' A' ' 93' ' ' ILE . 18.4 t80 -91.76 -45.34 8.47 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.49 1.119 . . . . 0.0 111.031 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.471 ' CB ' HD11 ' A' ' 54' ' ' LEU . 21.5 m-85 -89.47 23.08 2.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.137 . . . . 0.0 111.013 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 45' ' ' ARG . 1.4 mt-10 -99.32 -22.28 15.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.424 ' HG2' ' N ' ' A' ' 51' ' ' TRP . 0.4 OUTLIER -76.05 -30.8 58.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.638 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 7.8 m0 -79.34 -38.65 34.64 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -179.56 155.57 16.06 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 111.027 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.12 118.11 19.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 0.793 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.519 HD12 ' CG ' ' A' ' 45' ' ' ARG . 11.1 mt -77.0 105.05 7.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 73.2 p -63.89 -28.74 70.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.431 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -146.71 115.85 6.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 43.1 t -127.76 127.13 43.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 108.292 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.0 t -127.06 131.31 70.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.515 HG12 ' HG3' ' A' ' 41' ' ' GLU . 10.8 p -114.26 113.86 45.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.579 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 33.6 mmt -68.77 145.92 53.36 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.5 mtt85 -126.4 161.81 27.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.322 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.474 ' HB3' ' CB ' ' A' ' 65' ' ' SER . 7.5 t0 -72.9 128.33 88.22 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -11.21 21.43 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.515 1.797 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -107.57 -36.1 6.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.474 ' CB ' ' HB3' ' A' ' 62' ' ' ASP . 0.1 OUTLIER -85.57 -40.73 15.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.983 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 62' ' ' ASP . 21.8 mttp 67.68 40.07 2.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -127.31 -73.24 0.61 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.28 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 m -164.81 144.47 7.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.981 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.1 -28.09 20.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 95.98 18.19 32.66 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.451 1.094 . . . . 0.0 111.027 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.602 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.2 OUTLIER -160.27 150.95 18.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 0.741 . . . . 0.0 110.97 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -162.17 -159.75 10.49 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.475 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 1.5 m-85 -127.8 143.37 51.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 0.804 . . . . 0.0 111.005 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.501 ' CG1' HD21 ' A' ' 44' ' ' LEU . 21.1 m -124.62 110.58 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.43 HG23 ' O ' ' A' ' 28' ' ' ARG . 12.9 m -96.28 103.39 15.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.352 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.562 ' CE2' ' HA ' ' A' ' 82' ' ' VAL . 28.3 m-85 -68.95 167.77 15.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 111.037 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.4 t -79.49 -49.83 11.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.033 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.55 173.91 6.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 109.991 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.428 ' HA ' ' CG1' ' A' ' 82' ' ' VAL . 0.3 OUTLIER -83.68 -17.74 40.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.984 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.69 -60.87 2.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.607 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 1.3 mt-10 -45.69 -61.68 1.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.108 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.6 HG23 HD22 ' A' ' 30' ' ' LEU . 6.0 p -47.02 -49.37 7.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.411 ' N ' HG13 ' A' ' 82' ' ' VAL . 0.2 OUTLIER -53.06 -33.43 51.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.607 ' HB3' ' O ' ' A' ' 81' ' ' GLU . . . -65.94 -63.33 1.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -43.08 -46.84 5.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.423 ' HG2' HD21 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -51.82 -45.38 63.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -104.38 50.71 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -138.74 30.03 2.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.501 ' CB ' ' HA ' ' A' ' 90' ' ' PRO . 7.4 mtm180 -89.19 160.94 41.8 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.279 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.501 ' HA ' ' CB ' ' A' ' 89' ' ' ARG . 18.4 Cg_endo -74.99 -174.29 13.85 Favored 'Cis proline' 0 C--N 1.359 1.131 0 C-N-CA 120.979 -2.509 . . . . 0.0 111.009 -0.039 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.638 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 23.1 m170 -129.34 124.56 34.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.549 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' A' ' 96' ' ' ARG . 8.8 p -114.9 115.62 27.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 110.032 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.823 HD11 ' CD2' ' A' ' 47' ' ' TYR . 9.4 mt -136.89 142.01 39.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.0 t0 65.47 16.11 10.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.145 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.98 5.44 89.31 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.53 1.143 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.494 ' CZ ' ' HB2' ' A' ' 96' ' ' ARG . 0.1 OUTLIER -113.9 169.64 8.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 0.759 . . . . 0.0 110.257 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.43 ' O ' ' NH2' ' A' ' 96' ' ' ARG . 62.2 t -98.38 98.49 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.51 HG12 ' O ' ' A' ' 34' ' ' GLY . 3.0 m -75.02 -174.74 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -158.52 109.35 1.66 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 155.17 42.82 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.522 1.801 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 21.3 mttp -142.14 160.61 39.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.411 ' C ' ' N ' ' A' ' 104' ' ' VAL . 7.7 mtp180 -97.42 115.92 28.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -44.51 -27.09 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.598 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 3.5 t -109.71 142.13 23.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.598 ' HB3' ' O ' ' A' ' 104' ' ' VAL . . . 77.03 -70.81 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.88 107.03 3.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -137.5 159.94 40.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -163.86 81.31 0.43 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.337 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.52 159.93 0.45 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.981 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 146.35 166.42 12.12 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.425 1.078 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.01 83.5 0.44 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 0.74 . . . . 0.0 109.984 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 170.07 157.14 11.87 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.544 1.153 . . . . 0.0 110.992 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 170.91 19.36 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.784 . . . . 0.0 111.037 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.9 -59.03 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.019 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 96.4 p -84.87 170.9 12.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.042 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.452 1.095 . . . . 0.0 111.013 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.76 153.67 0.55 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 0.763 . . . . 0.0 110.025 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.0 p -179.7 168.33 1.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.018 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.25 147.48 4.82 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.0 169.1 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 0.0 110.006 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.7 p -168.83 167.99 10.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.013 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.56 147.62 8.07 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.433 1.083 . . . . 0.0 111.021 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.9 ptp -166.4 170.68 12.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 0.756 . . . . 0.0 110.957 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -161.98 111.72 1.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -120.82 122.21 39.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.8 t -103.59 154.38 19.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.387 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.13 -63.6 1.27 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -120.76 162.65 19.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.6 m -67.06 142.58 57.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.42 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 24.6 m -68.82 116.93 46.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 135.15 18.68 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.472 1.775 . . . . 0.0 111.014 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.751 ' C ' HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -97.38 160.08 14.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.668 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.2 OUTLIER 176.67 145.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 110.278 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.428 ' HG2' ' HB2' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -144.65 111.97 6.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 110.307 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -139.37 59.92 1.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -145.16 168.91 19.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.96 130.29 9.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.296 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -55.84 -53.91 50.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.41 -25.41 1.04 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -68.12 -66.66 0.54 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.322 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -61.47 -42.47 98.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 110.297 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.9 m-30 -41.67 -51.76 3.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.971 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.3 mtt180 -102.29 47.0 0.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.26 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.814 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 0.2 OUTLIER -129.71 114.66 16.26 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.682 HD22 HG23 ' A' ' 82' ' ' VAL . 5.8 mp -107.95 155.77 19.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.8 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 35.0 t80 -112.84 103.81 11.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 110.979 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.67 HG22 HD21 ' A' ' 35' ' ' LEU . 9.1 mm -77.65 130.6 36.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.1 134.26 8.56 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.449 1.093 . . . . 0.0 111.038 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.774 ' O ' HG12 ' A' ' 98' ' ' VAL . . . 89.93 72.29 1.26 Allowed Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.67 HD21 HG22 ' A' ' 32' ' ' ILE . 5.7 mt -104.81 -1.15 26.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 0.769 . . . . 0.0 109.32 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.539 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 0.3 OUTLIER 65.12 8.98 5.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.981 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.539 ' CG ' ' C ' ' A' ' 36' ' ' SER . 3.2 m-85 74.04 -2.01 2.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 40' ' ' THR . 9.2 mt-10 -98.04 -67.85 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.473 HG22 ' HB2' ' A' ' 44' ' ' LEU . 1.4 m -37.99 97.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.455 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.438 ' N ' ' O ' ' A' ' 38' ' ' GLU . 70.9 p -79.33 -172.51 3.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.407 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.435 ' CG ' HG12 ' A' ' 59' ' ' VAL . 51.6 mt-10 -56.31 -51.27 68.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 110.307 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 43' ' ' SER . 3.9 tt0 -65.22 -67.86 0.41 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 110.321 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 42' ' ' GLU . 13.9 m -37.91 -41.35 0.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.155 . . . . 0.0 109.97 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.659 HD21 ' CG1' ' A' ' 74' ' ' VAL . 1.5 tp -64.76 -63.23 1.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.485 ' CG ' HD12 ' A' ' 54' ' ' LEU . 9.9 mtp180 -47.6 -46.83 28.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 110.262 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -44.09 -27.12 0.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.812 ' CD2' HD11 ' A' ' 93' ' ' ILE . 45.6 t80 -94.47 -45.6 7.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.653 ' CB ' HD11 ' A' ' 54' ' ' LEU . 81.5 m-85 -87.88 23.16 2.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.974 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 45' ' ' ARG . 3.9 mt-10 -99.46 -18.69 17.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 110.279 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -72.24 -58.49 3.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 110.273 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.535 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 6.8 m-90 -54.7 -44.39 73.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 108.012 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -169.63 163.44 36.97 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.01 114.27 24.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 0.747 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.723 HD13 ' CG1' ' A' ' 74' ' ' VAL . 14.9 mt -70.38 106.87 3.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 75' ' ' THR . 3.4 p -56.88 -21.12 27.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.401 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -160.84 126.16 3.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.352 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 30.8 p -127.29 120.0 27.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 108.312 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.8 t -122.13 141.58 41.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.485 HG13 ' O ' ' A' ' 59' ' ' VAL . 13.4 p -124.3 112.9 34.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.303 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.58 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 33.7 mmt -64.3 155.29 32.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.1 mtt85 -140.05 137.71 34.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.317 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.53 126.64 1.83 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -16.41 20.2 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.447 1.761 . . . . 0.0 110.972 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -104.58 -46.21 4.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.83 -31.95 61.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.003 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 58.03 36.26 25.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 28.5 mtt-85 -117.46 -72.63 0.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.563 1.164 . . . . 0.0 110.288 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.9 m -174.94 135.71 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.044 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.5 mtm180 -84.07 -39.83 19.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 106.9 22.66 7.49 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.469 1.106 . . . . 0.0 111.03 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.8 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 0.4 OUTLIER -157.44 151.2 24.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 0.0 110.963 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -158.33 -161.89 11.38 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.4 ' HA ' ' O ' ' A' ' 30' ' ' LEU . 4.6 m-85 -126.39 150.31 48.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 0.763 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.723 ' CG1' HD13 ' A' ' 54' ' ' LEU . 4.1 m -134.62 107.93 9.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 55' ' ' THR . 6.7 m -95.17 100.82 12.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 110.444 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.552 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 22.0 m-85 -67.42 172.86 4.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.1 t -87.81 -40.0 14.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.037 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.83 165.27 15.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 0.0 110.041 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.404 ' HA ' ' CG1' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -80.97 -23.59 38.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.981 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.8 -60.57 2.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.319 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.586 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 22.2 mt-10 -44.78 -60.52 1.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.682 HG23 HD22 ' A' ' 30' ' ' LEU . 6.1 p -47.83 -47.0 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.168 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -54.4 -37.51 65.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.586 ' HB3' ' O ' ' A' ' 81' ' ' GLU . . . -57.98 -66.25 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -40.18 -53.36 2.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.497 ' SD ' ' CD2' ' A' ' 30' ' ' LEU . 95.6 mmm -48.31 -54.01 15.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.425 1.078 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.41 47.59 1.5 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.525 ' O ' ' CD2' ' A' ' 91' ' ' HIS . . . -148.67 57.63 1.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.487 ' HA ' ' C ' ' A' ' 90' ' ' PRO . 11.0 mtm-85 -106.47 155.7 38.32 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 110.313 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.487 ' C ' ' HA ' ' A' ' 89' ' ' ARG . 18.4 Cg_endo -75.0 -167.85 6.0 Favored 'Cis proline' 0 C--N 1.359 1.13 0 C-N-CA 121.056 -2.477 . . . . 0.0 110.993 0.05 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.535 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 0.8 OUTLIER -128.64 115.66 18.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.609 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.496 ' O ' ' CE1' ' A' ' 47' ' ' TYR . 81.1 p -109.47 120.48 42.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.978 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.812 HD11 ' CD2' ' A' ' 47' ' ' TYR . 33.2 mt -137.15 133.39 47.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 56.5 25.68 10.02 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 74.72 25.55 69.48 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.54 1.15 . . . . 0.0 110.972 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.475 ' HG3' ' CB ' ' A' ' 36' ' ' SER . 0.4 OUTLIER -119.42 144.69 46.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 0.772 . . . . 0.0 110.292 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.413 ' O ' HG12 ' A' ' 97' ' ' VAL . 73.4 t -86.19 76.01 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 109.235 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.774 HG12 ' O ' ' A' ' 34' ' ' GLY . 2.4 m -73.9 167.9 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -148.61 112.46 3.69 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.424 ' HG3' ' ND1' ' A' ' 91' ' ' HIS . 18.3 Cg_endo -75.02 157.16 42.84 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.465 1.771 . . . . 0.0 110.975 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -142.29 178.25 7.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.443 ' NH1' ' OE2' ' A' ' 107' ' ' GLU . 5.5 ttt180 -97.66 134.48 40.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.814 ' HB3' ' O ' ' A' ' 29' ' ' LYS . . . -98.93 61.66 1.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.431 HG22 ' HB3' ' A' ' 102' ' ' ARG . 30.2 m -128.31 170.74 17.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.428 ' HB2' ' HG2' ' A' ' 19' ' ' ARG . . . -75.28 -69.71 0.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.64 154.85 42.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.443 ' OE2' ' NH1' ' A' ' 102' ' ' ARG . 0.6 OUTLIER -102.25 154.32 19.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.329 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -172.63 -59.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.239 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -164.74 145.04 7.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.994 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -156.57 133.31 3.59 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.486 1.116 . . . . 0.0 110.952 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.5 t -146.47 157.87 43.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 0.793 . . . . 0.0 110.003 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -113.43 130.41 9.4 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -45.62 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.469 1.773 . . . . 0.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 45.5 m 63.16 124.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 110.065 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 46.7 t -140.27 159.57 41.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.014 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.541 1.151 . . . . 0.0 110.987 -179.972 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.0 t -177.57 117.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 0.76 . . . . 0.0 109.987 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.34 164.31 30.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.0 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.96 -166.12 23.39 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.513 1.133 . . . . 0.0 111.032 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.54 170.25 1.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 0.787 . . . . 0.0 109.946 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 t -168.3 166.9 12.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.027 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.88 142.65 8.19 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.481 1.113 . . . . 0.0 111.039 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -177.97 153.75 0.84 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 0.785 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -132.4 147.9 52.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.309 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -139.67 135.31 33.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.663 ' C ' HD22 ' A' ' 12' ' ' LEU . 2.0 m 62.18 123.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 110.407 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.663 HD22 ' C ' ' A' ' 11' ' ' THR . 2.9 mm? -118.61 174.01 6.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -148.15 -55.93 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 16.8 m 43.79 82.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 110.356 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.63 HG23 ' HD2' ' A' ' 16' ' ' PRO . 3.5 p -156.57 142.34 12.79 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.16 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.63 ' HD2' HG23 ' A' ' 15' ' ' VAL . 18.4 Cg_endo -74.94 144.43 30.48 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.503 1.791 . . . . 0.0 111.03 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -159.36 143.02 14.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.254 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -136.87 90.85 2.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.1 -57.21 3.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.272 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.5 mttp -150.66 102.23 3.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 109.3 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -113.09 155.98 23.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -148.75 146.1 27.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.158 . . . . 0.0 110.278 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.43 ' C ' ' N ' ' A' ' 25' ' ' GLU . 17.1 mt-10 -91.33 -59.35 2.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 110.266 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -41.16 -29.51 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.43 ' N ' ' C ' ' A' ' 23' ' ' GLU . 9.0 mm-40 -83.67 -51.97 6.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.335 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -40.62 -59.99 1.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 110.252 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.426 ' O ' ' NH2' ' A' ' 28' ' ' ARG . 47.3 m-85 -50.53 -43.58 56.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.982 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.606 ' CZ ' ' CE ' ' A' ' 79' ' ' MET . 5.3 mmp_? -100.55 36.9 1.8 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.118 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.689 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 9.0 ttpt -130.75 115.96 17.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.41 ' N ' ' CD1' ' A' ' 30' ' ' LEU . 0.4 OUTLIER -108.09 134.59 50.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.763 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 10.7 t80 -94.33 102.7 14.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 111.012 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.587 HD11 ' CG2' ' A' ' 74' ' ' VAL . 3.4 mm -76.94 134.46 28.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.29 126.64 5.82 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.468 1.105 . . . . 0.0 110.966 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.615 ' O ' HG12 ' A' ' 98' ' ' VAL . . . 90.57 78.02 1.35 Allowed Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.57 HD21 HG22 ' A' ' 32' ' ' ILE . 4.8 mt -104.84 1.14 28.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 0.0 109.304 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.515 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 78.38 -1.34 2.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 0.0 110.047 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.515 ' CG ' ' C ' ' A' ' 36' ' ' SER . 1.2 m-85 75.59 -2.33 2.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 40' ' ' THR . 0.6 OUTLIER -105.99 -63.88 1.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 0.0 110.27 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.684 HG21 HG21 ' A' ' 93' ' ' ILE . 2.2 m -38.37 97.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.357 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.43 ' N ' ' O ' ' A' ' 38' ' ' GLU . 36.7 p -68.33 -174.66 0.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 110.398 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.712 ' CG ' HG12 ' A' ' 59' ' ' VAL . 67.2 mt-10 -57.6 -49.73 75.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 110.294 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 45' ' ' ARG . 4.2 tt0 -65.6 -60.75 2.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.297 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.9 m -43.76 -29.47 0.53 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.016 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.564 HD21 ' CG1' ' A' ' 74' ' ' VAL . 0.4 OUTLIER -80.1 -43.52 21.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.276 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.957 ' HG2' HD12 ' A' ' 54' ' ' LEU . 22.0 mtm180 -62.42 -44.84 95.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.454 ' ND2' ' C ' ' A' ' 46' ' ' ASN . 0.8 OUTLIER -47.48 -27.21 1.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.793 ' CD2' HD11 ' A' ' 93' ' ' ILE . 75.1 t80 -91.53 -47.25 7.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.598 ' CB ' HD11 ' A' ' 54' ' ' LEU . 53.3 m-85 -89.29 26.68 1.59 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.965 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 45' ' ' ARG . 1.6 mt-10 -98.95 -13.7 19.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.459 ' CG ' ' N ' ' A' ' 51' ' ' TRP . 20.6 pt20 -82.92 -47.55 11.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.619 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 5.4 m-90 -65.26 -13.68 58.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 108.019 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 158.36 161.34 10.94 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.435 1.084 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.16 104.05 16.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 0.748 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.957 HD12 ' HG2' ' A' ' 45' ' ' ARG . 26.2 mt -59.08 115.02 2.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.438 ' H ' ' HG1' ' A' ' 55' ' ' THR . 62.4 p -72.14 -29.57 64.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.353 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -145.25 118.07 8.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 30.5 p -122.9 116.55 23.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.565 1.165 . . . . 0.0 108.324 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 8.1 t -123.66 140.86 45.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.16 . . . . 0.0 109.27 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.712 HG12 ' CG ' ' A' ' 41' ' ' GLU . 11.6 p -124.65 116.66 48.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.577 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 34.0 mmt -69.77 141.3 53.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 -133.87 153.56 51.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 110.307 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.443 ' CB ' ' HB2' ' A' ' 65' ' ' SER . 40.3 m-20 -61.65 132.89 93.28 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -20.1 17.25 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.519 1.8 . . . . 0.0 110.977 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -105.19 -43.8 4.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.443 ' HB2' ' CB ' ' A' ' 62' ' ' ASP . 0.1 OUTLIER -73.76 -32.82 64.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.981 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.68 11.89 7.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.3 134.26 55.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.337 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 42.0 m -39.17 132.74 1.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.983 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -72.37 -32.07 66.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 34' ' ' GLY . . . 112.78 25.12 4.67 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.534 1.146 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.763 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -160.08 145.01 14.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 0.738 . . . . 0.0 110.976 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -156.48 -159.05 9.18 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -128.64 149.38 50.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 0.767 . . . . 0.0 110.961 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.638 ' CG1' HD13 ' A' ' 54' ' ' LEU . 3.7 m -134.15 111.8 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 28' ' ' ARG . 3.5 m -96.67 107.96 20.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.105 . . . . 0.0 110.422 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.583 ' CB ' HG12 ' A' ' 82' ' ' VAL . 13.4 m-85 -74.02 172.9 10.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.6 -48.62 6.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.045 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.417 ' CB ' ' HG2' ' A' ' 81' ' ' GLU . 0.1 OUTLIER -96.19 170.65 9.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 110.002 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.606 ' CE ' ' CZ ' ' A' ' 28' ' ' ARG . 0.7 OUTLIER -88.12 -16.12 34.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -90.43 -29.25 18.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.565 ' HB3' ' CD1' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -63.55 -24.78 67.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.583 HG12 ' CB ' ' A' ' 76' ' ' PHE . 2.0 m -91.73 -44.48 14.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.75 -24.04 63.72 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 87' ' ' ALA . . . -74.23 -67.73 0.59 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -41.78 -45.59 3.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.424 ' CE ' ' HG3' ' A' ' 102' ' ' ARG . 0.7 OUTLIER -48.82 -42.8 37.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 110.996 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . -109.43 48.96 0.85 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.554 ' O ' ' CD2' ' A' ' 91' ' ' HIS . . . -133.56 41.98 3.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.479 ' CB ' ' HA ' ' A' ' 90' ' ' PRO . 0.4 OUTLIER -95.99 159.84 31.36 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.129 . . . . 0.0 110.27 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.479 ' HA ' ' CB ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -74.99 -174.89 14.94 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 120.985 -2.506 . . . . 0.0 111.036 -0.035 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.624 ' O ' HG22 ' A' ' 98' ' ' VAL . 6.9 m170 -130.99 114.78 15.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.594 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.449 ' O ' HD13 ' A' ' 93' ' ' ILE . 85.3 p -101.67 125.34 48.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 110.023 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.793 HD11 ' CD2' ' A' ' 47' ' ' TYR . 21.7 mm -133.53 123.25 45.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 22.9 t0 67.53 9.27 6.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 101.7 -14.75 57.54 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.503 1.127 . . . . 0.0 110.961 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 96' ' ' ARG . 0.0 OUTLIER -86.81 166.28 15.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.773 . . . . 0.0 110.287 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 79.1 t -99.6 102.41 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.624 HG22 ' O ' ' A' ' 91' ' ' HIS . 2.7 m -84.12 -174.28 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -158.86 109.3 1.6 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 153.47 41.65 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.509 1.794 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -139.9 172.81 12.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.504 ' HB3' HG22 ' A' ' 104' ' ' VAL . 6.2 mtt180 -100.54 139.4 36.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.338 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.689 ' HB3' ' O ' ' A' ' 29' ' ' LYS . . . -94.68 53.43 1.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.504 HG22 ' HB3' ' A' ' 102' ' ' ARG . 35.4 m -126.18 143.81 38.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 64.51 157.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.1 ptt-85 -145.45 134.19 22.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.157 . . . . 0.0 110.326 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.74 -54.9 0.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -39.85 -60.77 0.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.34 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 32.9 m 54.52 90.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.972 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -179.45 105.36 0.19 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.534 1.146 . . . . 0.0 110.978 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.5 t -163.47 -60.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 0.76 . . . . 0.0 109.993 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 54.97 87.85 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.475 1.109 . . . . 0.0 110.979 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 150.43 38.05 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.51 1.795 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.3 m -47.25 115.45 1.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.956 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 69.5 p -177.11 134.54 0.19 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.024 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 -179.974 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m 63.88 124.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 0.749 . . . . 0.0 110.028 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.0 p -179.23 121.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.002 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.44 67.68 0.17 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.543 1.152 . . . . 0.0 110.983 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.2 p -128.43 110.3 12.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 0.74 . . . . 0.0 109.996 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -131.04 154.77 47.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.965 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.33 161.51 32.61 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.518 1.136 . . . . 0.0 110.967 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.0 mtm 59.26 161.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 0.77 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -152.2 82.64 1.26 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.322 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -147.45 116.27 6.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.2 p -123.51 139.78 53.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.43 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.19 148.5 49.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.236 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -68.5 152.72 44.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 110.268 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.8 t -108.18 140.73 40.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.411 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.6 m -141.75 151.32 59.67 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 169.28 22.98 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.499 1.789 . . . . 0.0 111.046 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -124.65 -63.57 1.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -158.86 156.74 30.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.444 ' HD2' ' HB2' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -104.11 145.9 29.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.322 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.4 mttm -56.69 177.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 0.0 109.308 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.7 -69.22 0.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.5 106.55 0.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 110.307 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.422 ' HB3' ' CE1' ' A' ' 27' ' ' PHE . 2.5 mp0 -56.33 -41.03 75.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.264 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.1 -27.57 33.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -66.68 -68.02 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -59.63 -35.62 74.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.422 ' CE1' ' HB3' ' A' ' 23' ' ' GLU . 2.9 m-30 -52.39 -51.64 57.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 111.051 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.555 ' O ' HG23 ' A' ' 75' ' ' THR . 3.9 mtp180 -105.62 48.04 0.85 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.594 ' HE2' ' HB1' ' A' ' 103' ' ' ALA . 24.1 tttt -138.66 132.26 30.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.452 HD13 ' CG2' ' A' ' 82' ' ' VAL . 6.9 mp -123.42 157.62 33.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.79 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 14.0 t80 -111.76 101.89 10.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.735 HD11 ' CG2' ' A' ' 74' ' ' VAL . 4.1 mm -74.9 135.07 28.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.43 136.88 9.52 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.513 1.133 . . . . 0.0 111.031 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 70' ' ' GLY . . . 82.28 74.65 1.17 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.606 HD21 HG22 ' A' ' 32' ' ' ILE . 9.5 mt -102.66 -0.68 31.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 0.772 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.539 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 6.7 t 68.14 -0.35 2.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.962 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.539 ' CG ' ' C ' ' A' ' 36' ' ' SER . 1.7 m-85 69.09 -1.1 2.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -111.53 24.01 13.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.45 ' CG2' ' HB2' ' A' ' 44' ' ' LEU . 1.1 m -124.17 113.99 19.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.432 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 57.1 p -85.45 157.87 20.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.424 1.078 . . . . 0.0 110.415 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.701 ' CG ' HG12 ' A' ' 59' ' ' VAL . 60.0 mt-10 -41.31 -46.72 3.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.128 . . . . 0.0 110.288 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -63.71 -68.0 0.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.291 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.6 m -40.53 -34.37 0.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.999 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.451 HD21 ' CG1' ' A' ' 74' ' ' VAL . 0.2 OUTLIER -74.49 -57.51 3.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 109.333 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.88 ' HG2' HD12 ' A' ' 54' ' ' LEU . 5.3 mtp180 -48.93 -45.02 41.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 110.332 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -49.77 -26.17 3.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.267 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -87.18 -47.22 9.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 110.993 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.671 ' HB2' HD11 ' A' ' 54' ' ' LEU . 71.7 m-85 -90.93 24.06 2.92 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.5 1.125 . . . . 0.0 110.955 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 45' ' ' ARG . 1.4 mt-10 -99.15 -22.79 15.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.15 . . . . 0.0 110.338 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -76.0 -30.96 58.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 110.274 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.652 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 8.0 m0 -78.62 -43.83 25.38 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -170.91 153.78 21.47 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.543 1.152 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.42 113.36 13.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 0.747 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.88 HD12 ' HG2' ' A' ' 45' ' ' ARG . 19.3 mt -74.31 115.96 14.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.6 p -74.25 -29.93 61.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 110.427 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -143.17 118.48 10.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 8.7 p -128.01 118.55 23.73 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 108.323 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 8.5 t -124.58 140.82 46.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 109.27 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.701 HG12 ' CG ' ' A' ' 41' ' ' GLU . 9.8 p -124.41 120.33 58.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.584 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 35.1 mmt -73.1 150.33 42.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.418 ' HA ' ' N ' ' A' ' 69' ' ' ARG . 34.4 mtt180 -130.55 141.8 50.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.257 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -41.82 139.65 1.57 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -11.05 21.42 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.522 1.801 . . . . 0.0 110.974 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -111.65 -49.81 2.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.05 -44.18 55.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.977 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.22 25.75 5.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -129.99 77.29 1.78 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.405 ' C ' ' HA ' ' A' ' 61' ' ' ARG . 18.2 m 61.56 137.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.978 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -100.7 -23.07 14.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 34' ' ' GLY . . . 106.09 9.06 32.8 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.449 1.093 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.79 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -158.96 149.02 19.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 0.783 . . . . 0.0 110.989 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -156.05 -160.62 10.12 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.537 1.148 . . . . 0.0 110.954 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.575 ' CD2' ' HE3' ' A' ' 29' ' ' LYS . 5.7 m-85 -128.92 147.21 50.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.735 ' CG2' HD11 ' A' ' 32' ' ' ILE . 13.6 m -131.91 121.1 46.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.555 HG23 ' O ' ' A' ' 28' ' ' ARG . 5.4 m -107.48 105.02 14.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 110.395 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.569 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 57.3 m-85 -71.89 179.74 3.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.4 t -90.64 -48.27 7.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.981 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.2 m -117.92 167.98 10.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.107 . . . . 0.0 109.991 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.465 ' HA ' ' CG1' ' A' ' 82' ' ' VAL . 0.2 OUTLIER -80.53 -17.15 52.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.91 -56.12 5.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.509 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 41.8 mt-10 -51.09 -58.66 5.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.276 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.569 ' HB ' ' CD2' ' A' ' 76' ' ' PHE . 7.1 p -52.75 -41.05 37.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.28 -32.77 70.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 81' ' ' GLU . . . -65.78 -57.08 8.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -47.63 -48.62 28.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.2 mtp -49.92 -38.84 38.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -108.58 48.7 0.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.478 ' O ' ' CD2' ' A' ' 91' ' ' HIS . . . -137.62 35.68 2.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.481 ' HA ' ' C ' ' A' ' 90' ' ' PRO . 4.6 mtm-85 -90.94 159.55 39.88 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.318 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.481 ' C ' ' HA ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -75.05 -176.85 18.94 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 120.958 -2.517 . . . . 0.0 111.006 0.009 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.652 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 13.0 m170 -125.75 117.01 22.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.113 . . . . 0.0 109.563 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.4 p -108.26 116.07 31.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.032 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.542 ' HB ' HG11 ' A' ' 98' ' ' VAL . 10.4 mt -137.01 142.83 36.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 38.6 t70 63.46 13.84 7.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 85.68 5.09 84.68 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.495 ' CZ ' ' HB2' ' A' ' 96' ' ' ARG . 0.1 OUTLIER -112.65 168.5 9.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 0.793 . . . . 0.0 110.29 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 66.3 t -97.02 92.81 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.542 HG11 ' HB ' ' A' ' 93' ' ' ILE . 1.5 m -73.84 -175.76 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.405 ' OE1' ' C ' ' A' ' 98' ' ' VAL . 1.7 pm0 -158.35 109.71 1.69 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 110.313 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 153.72 42.1 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.529 1.805 . . . . 0.0 111.054 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.0 mmmt -138.48 166.16 25.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.253 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.403 ' NH1' ' HG2' ' A' ' 107' ' ' GLU . 1.7 ttt180 -91.84 134.87 34.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.594 ' HB1' ' HE2' ' A' ' 29' ' ' LYS . . . -100.88 50.67 0.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 27.4 m -126.74 -176.93 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.444 ' HB2' ' HD2' ' A' ' 19' ' ' ARG . . . -97.02 80.8 3.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 56.78 167.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.34 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.403 ' HG2' ' NH1' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -86.22 89.96 8.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.315 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.9 176.3 8.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 70.37 -71.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.008 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -48.72 -61.1 5.44 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.481 1.113 . . . . 0.0 111.041 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 28.8 p -67.81 114.67 6.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 110.003 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 120.91 -125.99 6.43 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.523 1.14 . . . . 0.0 111.019 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 173.7 14.07 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.573 1.828 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.9 p -156.24 171.98 19.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.99 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.4 m -97.62 165.97 11.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.996 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 -179.965 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.69 166.84 4.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 0.756 . . . . 0.0 110.011 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.4 p -160.72 167.8 26.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 109.971 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.46 -174.78 13.53 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.32 164.28 3.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 0.794 . . . . 0.0 110.027 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.84 168.83 25.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.028 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.14 -157.52 8.09 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.541 1.151 . . . . 0.0 111.013 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.0 mpp? 58.04 93.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 0.767 . . . . 0.0 111.024 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -136.43 165.97 24.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.468 ' HE3' ' CA ' ' A' ' 110' ' ' GLY . 0.0 OUTLIER -55.17 -177.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.0 t -113.29 -42.18 3.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.391 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.8 tp -161.34 146.7 13.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.344 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -146.7 122.65 10.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.9 m -134.35 146.21 49.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.363 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.612 HG23 ' HD2' ' A' ' 16' ' ' PRO . 2.6 p -159.47 140.78 9.43 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.612 ' HD2' HG23 ' A' ' 15' ' ' VAL . 18.0 Cg_endo -75.04 129.3 12.18 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.526 1.803 . . . . 0.0 111.006 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -93.15 179.69 5.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -145.62 -62.38 0.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.326 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.4 mtt180 -39.12 151.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 110.302 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.7 tttt -128.69 112.47 14.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -179.01 -62.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.2 -52.89 2.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.475 ' O ' ' CD1' ' A' ' 27' ' ' PHE . 69.0 mm-40 -50.93 -45.3 60.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.3 -25.65 62.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -69.2 -64.91 0.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.314 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.441 ' CG ' HG12 ' A' ' 104' ' ' VAL . 8.5 pt20 -58.95 -33.77 71.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.475 ' CD1' ' O ' ' A' ' 23' ' ' GLU . 0.7 OUTLIER -49.26 -47.12 46.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 111.029 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -98.33 -22.69 15.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.635 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -86.57 114.68 23.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.432 HD13 ' CG2' ' A' ' 82' ' ' VAL . 9.2 mp -109.43 137.94 46.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.649 ' CE2' ' CD1' ' A' ' 71' ' ' PHE . 29.2 t80 -96.73 110.56 22.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.638 HG22 HD21 ' A' ' 35' ' ' LEU . 8.3 mm -81.5 130.73 35.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.3 132.57 9.39 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 70' ' ' GLY . . . 82.83 74.94 1.18 Allowed Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.638 HD21 HG22 ' A' ' 32' ' ' ILE . 6.8 mt -99.01 0.87 44.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 0.773 . . . . 0.0 109.266 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.531 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 0.2 OUTLIER 71.95 -3.18 2.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 109.987 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.631 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 0.2 OUTLIER 71.21 -1.06 2.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.417 ' CB ' ' OD2' ' A' ' 94' ' ' ASP . 0.3 OUTLIER -116.52 22.16 12.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.575 1.172 . . . . 0.0 110.284 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.8 107.33 13.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.414 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -85.72 176.22 8.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.429 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.492 ' OE2' ' N ' ' A' ' 59' ' ' VAL . 64.3 mm-40 -51.44 -61.15 2.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.254 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -46.91 -45.65 20.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.319 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 75.7 m -64.09 -53.92 42.13 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.48 1.112 . . . . 0.0 109.988 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.714 HD21 ' CG1' ' A' ' 74' ' ' VAL . 1.1 tp -57.56 -39.66 77.18 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.471 ' O ' ' N ' ' A' ' 49' ' ' GLU . 1.3 mtm105 -69.15 -54.7 13.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -45.59 -25.92 0.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.744 ' CE2' HD11 ' A' ' 93' ' ' ILE . 87.3 t80 -88.84 -50.81 5.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.575 ' CB ' HD11 ' A' ' 54' ' ' LEU . 29.9 m-85 -88.58 24.44 1.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 45' ' ' ARG . 2.2 mt-10 -99.36 -24.66 14.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.415 ' CD ' ' O ' ' A' ' 47' ' ' TYR . 1.5 pt20 -74.67 -29.98 61.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.316 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.649 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 7.2 m0 -81.38 -36.1 30.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 108.007 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 178.82 163.38 29.89 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.474 1.108 . . . . 0.0 111.015 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.5 113.16 21.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 0.788 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.575 HD11 ' CB ' ' A' ' 48' ' ' TYR . 18.6 mt -69.98 113.01 6.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.423 ' N ' ' O ' ' A' ' 75' ' ' THR . 18.6 p -74.19 -13.29 60.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.417 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -159.39 115.67 2.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.408 ' SG ' ' OE1' ' A' ' 41' ' ' GLU . 28.4 p -128.04 119.86 26.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 108.28 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.2 t -128.97 129.92 68.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.492 ' N ' ' OE2' ' A' ' 41' ' ' GLU . 6.3 p -116.76 115.04 47.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.575 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 33.5 mmt -68.69 144.21 54.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.98 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -125.47 140.22 52.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 110.28 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.469 ' CB ' ' HB2' ' A' ' 65' ' ' SER . 2.9 m-20 -40.2 145.12 0.5 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -27.72 9.87 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.53 1.805 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -113.39 -49.09 2.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.511 ' O ' ' CG ' ' A' ' 67' ' ' ARG . 0.4 OUTLIER -66.44 -23.21 66.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.976 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.487 ' HG3' ' C ' ' A' ' 65' ' ' SER . 0.0 OUTLIER 35.21 33.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.511 ' CG ' ' O ' ' A' ' 65' ' ' SER . 6.0 mtt180 -121.14 46.32 2.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.6 m 71.28 132.71 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 110.019 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.31 -39.73 24.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.328 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 34' ' ' GLY . . . 114.12 13.49 9.95 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.649 ' CD1' ' CE2' ' A' ' 31' ' ' PHE . 0.5 OUTLIER -156.29 149.77 24.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 0.777 . . . . 0.0 110.997 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -156.37 -158.54 8.9 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.4 ' HA ' ' O ' ' A' ' 30' ' ' LEU . 12.7 m-85 -133.92 145.25 49.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 0.752 . . . . 0.0 111.016 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.714 ' CG1' HD21 ' A' ' 44' ' ' LEU . 16.7 m -133.68 114.63 20.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 55' ' ' THR . 1.8 m -105.29 105.63 15.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.367 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.517 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 40.4 m-85 -69.08 170.29 10.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.969 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.04 -41.63 17.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.952 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.6 160.55 21.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.992 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.404 ' O ' ' CG1' ' A' ' 82' ' ' VAL . 2.4 tpt -76.06 -23.01 55.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 110.974 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.76 -61.87 1.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.461 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 1.2 mp0 -43.07 -61.25 1.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.332 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.517 ' HB ' ' CD2' ' A' ' 76' ' ' PHE . 6.3 p -47.89 -37.96 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -62.47 -36.17 81.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 81' ' ' GLU . . . -60.36 -55.6 31.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.25 -42.58 66.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -55.47 -35.1 65.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -116.68 50.12 1.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -139.35 29.85 2.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.509 ' CB ' ' HA ' ' A' ' 90' ' ' PRO . 10.6 mtm180 -86.63 160.9 49.53 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.308 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.509 ' HA ' ' CB ' ' A' ' 89' ' ' ARG . 18.2 Cg_endo -74.97 178.79 33.12 Favored 'Cis proline' 0 C--N 1.359 1.118 0 C-N-CA 121.011 -2.495 . . . . 0.0 111.025 -0.011 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.649 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 9.7 m170 -121.83 128.82 52.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.56 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.404 ' HA ' ' O ' ' A' ' 96' ' ' ARG . 13.4 p -123.22 120.64 33.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.987 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.744 HD11 ' CE2' ' A' ' 47' ' ' TYR . 7.0 mt -137.06 148.72 26.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.417 ' OD2' ' CB ' ' A' ' 38' ' ' GLU . 4.6 t0 62.91 14.64 7.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.98 11.91 80.53 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.132 . . . . 0.0 110.97 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.508 ' CZ ' ' HB2' ' A' ' 96' ' ' ARG . 0.1 OUTLIER -121.63 168.65 11.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 0.75 . . . . 0.0 110.343 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.406 ' O ' ' NH2' ' A' ' 96' ' ' ARG . 47.8 t -94.77 105.95 17.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.477 HG23 ' N ' ' A' ' 99' ' ' GLU . 1.3 m -92.43 -172.05 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.477 ' N ' HG23 ' A' ' 98' ' ' VAL . 2.0 pm0 -158.43 109.46 1.67 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.411 ' HG3' ' ND1' ' A' ' 91' ' ' HIS . 18.3 Cg_endo -74.98 157.27 42.94 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.548 1.815 . . . . 0.0 111.004 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 11.9 mmtm -136.1 152.51 50.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.68 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 4.3 mtt180 -62.63 -35.71 80.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.256 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.68 ' HB3' ' O ' ' A' ' 102' ' ' ARG . . . 83.5 38.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.578 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 27.2 m -108.28 -47.39 7.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.14 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 104' ' ' VAL . . . 170.86 102.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 47.73 -170.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.298 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -89.93 112.4 23.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.322 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 56.22 98.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.403 ' OG ' ' N ' ' A' ' 110' ' ' GLY . 25.2 p -75.96 -62.91 1.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.003 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.468 ' CA ' ' HE3' ' A' ' 10' ' ' LYS . . . 65.29 106.95 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.462 1.101 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.9 t -168.33 86.82 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 0.79 . . . . 0.0 110.016 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -54.75 120.62 17.77 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.521 1.138 . . . . 0.0 110.945 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 174.01 13.52 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.487 1.783 . . . . 0.0 110.954 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.1 130.91 55.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.033 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 43.4 p -159.6 135.62 8.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.42 1.075 . . . . 0.0 110.001 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 O-C-N 124.491 1.119 . . . . 0.0 111.02 -179.964 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.17 121.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 0.767 . . . . 0.0 109.993 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -171.47 164.01 6.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.022 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.46 -97.54 0.11 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.6 p 60.24 158.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.76 . . . . 0.0 110.035 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -178.89 170.03 1.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 110.01 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.87 143.35 3.66 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.523 1.139 . . . . 0.0 111.003 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.39 150.59 9.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 0.773 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -177.24 131.91 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.34 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.43 178.4 6.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.2 m 55.54 107.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.421 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 178.13 97.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -166.36 170.78 12.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.247 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.7 t -166.32 154.7 10.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.389 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.434 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 1.6 p 177.98 133.19 0.22 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.244 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 15' ' ' VAL . 18.4 Cg_endo -75.01 162.08 37.68 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.497 1.788 . . . . 0.0 111.002 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 mt -113.25 171.43 7.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.29 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -126.13 165.5 18.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.256 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.3 ppt_? -92.55 173.24 7.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 0.0 110.332 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.39 -175.39 4.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.47 151.43 5.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 42.79 86.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.138 . . . . 0.0 110.293 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.574 ' O ' ' CD1' ' A' ' 27' ' ' PHE . 9.5 pt-20 -76.83 -35.34 57.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -29.24 70.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -70.71 -66.86 0.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 110.276 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -53.19 -35.21 59.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.313 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.574 ' CD1' ' O ' ' A' ' 23' ' ' GLU . 3.4 m-30 -51.3 -51.99 49.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.511 ' O ' HG23 ' A' ' 75' ' ' THR . 89.2 mtt180 -107.38 51.42 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.298 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.55 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -138.81 117.11 11.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.627 HD22 HG23 ' A' ' 82' ' ' VAL . 6.3 mp -112.25 162.64 15.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.798 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 33.1 t80 -118.23 101.86 8.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.984 HG21 HD11 ' A' ' 44' ' ' LEU . 15.0 mm -75.64 131.74 34.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -135.22 113.03 1.06 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.673 ' O ' HG12 ' A' ' 98' ' ' VAL . . . 127.19 38.26 0.43 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.775 HD11 HG22 ' A' ' 32' ' ' ILE . 1.3 mp -83.07 7.24 16.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 0.792 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.551 ' O ' ' CG ' ' A' ' 37' ' ' PHE . 0.3 OUTLIER 68.19 -64.43 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.979 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.551 ' CG ' ' O ' ' A' ' 36' ' ' SER . 0.2 OUTLIER 164.0 -27.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 111.033 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.535 ' O ' HG23 ' A' ' 40' ' ' THR . 3.4 tt0 -87.2 -53.12 5.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.348 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.645 ' OG1' HG22 ' A' ' 93' ' ' ILE . 1.2 m -37.91 99.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.391 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.535 HG23 ' O ' ' A' ' 38' ' ' GLU . 81.0 p -84.53 -158.8 0.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.417 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.675 ' CG ' HG12 ' A' ' 59' ' ' VAL . 53.2 mt-10 -67.87 -51.02 53.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.343 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 43' ' ' SER . 23.8 tt0 -63.58 -63.63 1.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.31 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 42' ' ' GLU . 28.8 m -38.63 -42.69 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.009 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.984 HD11 HG21 ' A' ' 32' ' ' ILE . 2.0 tp -70.15 -53.3 17.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.973 ' HG2' HD12 ' A' ' 54' ' ' LEU . 4.6 mtp-105 -53.92 -51.21 64.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.268 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -42.81 -28.08 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.757 ' CD2' HD11 ' A' ' 93' ' ' ILE . 31.8 t80 -94.43 -44.06 8.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.474 ' CB ' HD11 ' A' ' 54' ' ' LEU . 38.2 m-85 -87.26 21.44 2.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 45' ' ' ARG . 3.0 mt-10 -99.71 -43.72 6.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -49.55 -45.5 47.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.248 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.824 ' CZ2' ' HB1' ' A' ' 88' ' ' ALA . 3.8 m-90 -65.1 -45.46 85.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 107.981 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -174.2 153.34 16.5 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.41 120.28 22.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 0.779 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.973 HD12 ' HG2' ' A' ' 45' ' ' ARG . 7.5 mt -78.23 112.54 15.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 75' ' ' THR . 13.6 p -53.53 -26.43 21.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.402 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -161.06 134.21 6.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.431 ' SG ' HD23 ' A' ' 44' ' ' LEU . 35.5 t -128.39 122.41 31.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 108.33 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.4 t -119.16 137.46 53.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.675 HG12 ' CG ' ' A' ' 41' ' ' GLU . 10.4 p -124.75 113.72 37.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.575 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 35.5 mmt -64.07 146.72 53.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 111.026 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.407 ' HA ' ' N ' ' A' ' 69' ' ' ARG . 31.4 mtp180 -130.19 133.78 46.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.419 ' N ' ' HG2' ' A' ' 69' ' ' ARG . 44.0 m-20 -47.1 132.53 9.15 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.235 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -9.11 20.62 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.47 1.774 . . . . 0.0 110.991 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -108.81 -48.37 3.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 m -79.47 -43.91 22.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.006 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.5 mttp 67.92 28.61 6.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.8 mtp180 -126.89 56.96 1.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.272 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.6 m 63.64 131.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 110.037 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.419 ' HG2' ' N ' ' A' ' 62' ' ' ASP . 2.3 mtm180 -80.4 -18.3 49.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 98.1 14.89 37.69 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.798 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 1.8 p90 -160.78 154.14 21.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 0.782 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -161.7 -160.66 11.08 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.532 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 0.5 OUTLIER -127.94 148.92 50.52 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 0.774 . . . . 0.0 111.02 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.605 ' CG1' HD21 ' A' ' 44' ' ' LEU . 18.9 m -128.54 118.4 47.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.511 HG23 ' O ' ' A' ' 28' ' ' ARG . 2.8 m -102.76 100.02 10.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 110.424 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.542 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 11.2 m-85 -68.99 168.97 12.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 111.028 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.21 -51.69 8.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 110.017 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.47 172.16 7.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.982 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.41 ' HA ' ' CG1' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -82.52 -21.87 35.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.979 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.16 -64.13 0.93 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.535 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 2.5 mt-10 -41.93 -62.46 0.91 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.627 HG23 HD22 ' A' ' 30' ' ' LEU . 6.4 p -48.97 -48.83 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.85 -32.61 45.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.535 ' HB3' ' O ' ' A' ' 81' ' ' GLU . . . -70.85 -50.27 37.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.355 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -54.33 -48.4 71.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.325 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.473 ' HG2' HD21 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -48.2 -41.15 26.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 0.0 111.025 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -109.44 50.29 0.79 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.824 ' HB1' ' CZ2' ' A' ' 51' ' ' TRP . . . -131.91 30.08 4.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.497 ' CB ' ' HA ' ' A' ' 90' ' ' PRO . 4.2 mtm180 -89.45 161.15 40.49 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.339 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.497 ' HA ' ' CB ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -75.03 177.58 38.46 Favored 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 120.976 -2.51 . . . . 0.0 111.012 0.025 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.58 ' CD2' ' O ' ' A' ' 88' ' ' ALA . 22.1 m170 -124.57 132.5 53.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.601 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.804 ' O ' HD13 ' A' ' 93' ' ' ILE . 13.9 p -121.2 116.42 24.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.985 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.804 HD13 ' O ' ' A' ' 92' ' ' SER . 5.3 mm -130.7 146.17 34.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 22.7 t70 59.28 16.28 4.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 78.94 24.25 62.29 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.453 1.095 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.401 ' HD2' ' O ' ' A' ' 34' ' ' GLY . 0.0 OUTLIER -132.45 159.93 37.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 0.78 . . . . 0.0 110.3 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 74.6 t -84.35 107.89 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.673 HG12 ' O ' ' A' ' 34' ' ' GLY . 1.1 m -92.88 -168.45 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.588 ' N ' HG23 ' A' ' 98' ' ' VAL . 1.7 mt-10 -157.6 108.97 1.82 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.105 . . . . 0.0 110.271 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.446 ' HG3' ' ND1' ' A' ' 91' ' ' HIS . 18.4 Cg_endo -75.0 141.12 26.25 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.432 1.754 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -134.17 177.67 7.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.413 ' HB3' HG22 ' A' ' 104' ' ' VAL . 3.9 mtp180 -101.58 164.32 11.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 29' ' ' LYS . . . -122.38 56.51 1.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.413 HG22 ' HB3' ' A' ' 102' ' ' ARG . 18.9 m -127.13 160.02 36.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 62.76 108.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.331 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.43 154.04 45.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -121.27 155.36 34.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.272 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -175.89 147.45 0.78 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 110.269 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -158.84 170.26 22.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 110.004 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 158.59 98.6 0.14 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 24.2 p -150.42 150.65 31.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 0.779 . . . . 0.0 110.004 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 161.45 77.58 0.03 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 177.82 8.07 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.493 1.786 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 36.2 p -177.84 156.77 1.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.997 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.92 -59.01 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 0.0 110.01 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 179.984 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.8 m -157.88 161.6 38.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 0.745 . . . . 0.0 109.982 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.9 t -153.57 152.4 30.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 109.96 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.19 -102.45 0.18 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.6 t 61.21 112.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 0.781 . . . . 0.0 110.013 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.4 p -151.3 146.74 26.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.019 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.6 177.97 40.45 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.491 1.119 . . . . 0.0 110.989 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -150.06 -55.64 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.756 . . . . 0.0 111.021 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 63.24 106.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 110.316 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.08 135.08 48.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 70.0 p -134.68 132.84 39.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 0.0 110.426 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.61 173.72 11.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -84.04 137.08 33.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.327 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.0 m -94.79 112.3 24.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.382 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 32.6 m -138.26 153.73 73.28 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -47.37 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.554 1.818 . . . . 0.0 111.003 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.7 tt 72.0 -68.88 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.42 137.23 15.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.547 1.154 . . . . 0.0 110.283 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.38 66.04 9.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.0 mptt 56.54 79.77 0.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -136.75 116.99 13.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.0 mtm180 42.13 78.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.306 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -92.72 -53.88 3.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.577 1.173 . . . . 0.0 110.328 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -32.66 69.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -66.63 -57.62 6.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 110.293 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -65.6 -10.08 32.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.4 ' O ' ' CE ' ' A' ' 79' ' ' MET . 1.2 m-85 -82.44 -40.58 20.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.4 mtp85 -101.76 -8.24 21.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.277 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.571 ' HE2' ' CD1' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -86.06 114.86 23.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.773 HD22 HG23 ' A' ' 82' ' ' VAL . 1.1 mp -100.73 141.37 33.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.675 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 23.3 t80 -100.11 108.51 20.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 111.005 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.472 HG22 HD21 ' A' ' 35' ' ' LEU . 7.1 mm -87.05 129.43 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.5 128.03 6.0 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.464 1.102 . . . . 0.0 110.958 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.727 ' O ' HG12 ' A' ' 98' ' ' VAL . . . 102.41 68.83 0.81 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.551 HD13 HG22 ' A' ' 39' ' ' THR . 12.2 mt -107.7 0.89 22.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 0.763 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.537 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 2.0 t 63.28 10.5 4.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.984 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.537 ' CG ' ' C ' ' A' ' 36' ' ' SER . 3.1 m-85 74.62 -2.16 2.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 39' ' ' THR . 0.9 OUTLIER -94.83 -70.48 0.71 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.551 HG22 HD13 ' A' ' 35' ' ' LEU . 0.9 OUTLIER -36.69 99.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.423 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 38' ' ' GLU . 37.6 p -78.63 -166.91 0.95 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 110.444 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.432 ' CG ' HG12 ' A' ' 59' ' ' VAL . 43.9 mt-10 -61.52 -55.04 35.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 45' ' ' ARG . 2.9 mt-10 -59.24 -63.75 1.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.1 m -39.77 -49.42 2.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 110.016 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.775 HD21 ' CG1' ' A' ' 74' ' ' VAL . 4.9 tp -59.83 -44.9 93.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.481 ' O ' ' N ' ' A' ' 49' ' ' GLU . 5.1 mtm180 -62.63 -58.18 8.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -42.35 -28.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.698 ' CD2' HD11 ' A' ' 93' ' ' ILE . 75.2 t80 -91.45 -47.4 7.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.653 ' CB ' HD11 ' A' ' 54' ' ' LEU . 20.5 m-85 -87.95 23.54 2.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 45' ' ' ARG . 1.8 mt-10 -99.52 -16.22 18.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -71.12 -61.13 1.88 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.657 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 13.6 m-90 -49.79 -45.3 49.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 107.98 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -170.78 170.43 43.15 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.55 1.156 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.15 120.65 29.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 0.77 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.653 HD11 ' CB ' ' A' ' 48' ' ' TYR . 14.5 mt -77.28 116.04 17.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 75' ' ' THR . 33.9 p -74.01 -18.94 60.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.41 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -155.31 119.06 4.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 29.0 p -125.45 117.3 23.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 108.304 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.8 t -126.77 141.04 47.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.473 HG13 ' O ' ' A' ' 59' ' ' VAL . 14.8 p -123.88 113.02 35.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.572 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 34.9 mmt -64.75 152.89 41.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.412 ' HA ' ' N ' ' A' ' 69' ' ' ARG . 33.9 mtt180 -140.1 159.18 42.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.467 ' CB ' ' HB2' ' A' ' 65' ' ' SER . 38.4 m-20 -67.06 128.08 93.72 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -20.66 16.53 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.479 1.778 . . . . 0.0 110.993 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -95.55 -43.26 8.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.467 ' HB2' ' CB ' ' A' ' 62' ' ' ASP . 0.3 OUTLIER -77.38 -44.87 27.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.007 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 76.32 32.57 0.58 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.4 mtt85 -115.08 -87.6 0.59 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.535 1.147 . . . . 0.0 110.26 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.69 149.36 20.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.0 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.412 ' N ' ' HA ' ' A' ' 61' ' ' ARG . 0.7 OUTLIER -91.52 -27.7 18.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.323 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.94 16.21 36.6 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.675 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 1.1 p90 -156.98 153.44 28.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 0.746 . . . . 0.0 110.962 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -160.6 -164.47 15.63 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.468 1.105 . . . . 0.0 110.988 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.571 ' CD1' ' HE2' ' A' ' 29' ' ' LYS . 4.5 m-85 -123.94 154.98 38.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 0.739 . . . . 0.0 111.025 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.775 ' CG1' HD21 ' A' ' 44' ' ' LEU . 18.1 m -144.28 108.07 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 55' ' ' THR . 3.2 m -94.58 106.74 18.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.385 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.529 ' CD2' ' HB ' ' A' ' 82' ' ' VAL . 24.5 m-85 -73.07 172.27 11.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.57 -34.32 27.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.005 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.56 171.9 10.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.03 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.48 ' HA ' ' CG1' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -88.1 -28.51 21.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.955 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.51 -63.81 1.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.643 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 0.5 OUTLIER -43.52 -61.91 1.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.085 . . . . 0.0 110.29 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.773 HG23 HD22 ' A' ' 30' ' ' LEU . 7.6 p -51.13 -47.36 32.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.15 -26.88 52.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.643 ' HB3' ' O ' ' A' ' 81' ' ' GLU . . . -71.3 -61.1 1.89 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -42.66 -45.52 4.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.607 ' CG ' HD21 ' A' ' 30' ' ' LEU . 5.3 mtp -50.74 -50.51 55.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -96.93 50.32 1.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.432 1.083 . . . . 0.0 109.28 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -141.23 41.67 1.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.516 ' NE ' ' HA ' ' A' ' 90' ' ' PRO . 5.7 mtp180 -92.1 156.67 41.93 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.516 ' HA ' ' NE ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -75.0 -173.69 12.78 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 120.986 -2.506 . . . . 0.0 110.968 0.01 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.657 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 0.4 OUTLIER -128.53 112.69 14.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.597 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.47 ' HA ' ' O ' ' A' ' 96' ' ' ARG . 94.2 p -106.78 121.97 45.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.037 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.698 HD11 ' CD2' ' A' ' 47' ' ' TYR . 53.6 mt -133.1 125.21 51.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.8 t70 60.49 16.17 6.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.25 16.73 56.99 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.47 1.106 . . . . 0.0 110.976 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.491 ' HG3' ' CB ' ' A' ' 36' ' ' SER . 0.1 OUTLIER -109.73 140.51 43.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 0.779 . . . . 0.0 110.324 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 84.8 t -84.19 75.98 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.727 HG12 ' O ' ' A' ' 34' ' ' GLY . 2.5 m -72.9 160.39 5.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.475 ' HG3' ' CZ ' ' A' ' 89' ' ' ARG . 2.7 mt-10 -133.19 108.62 12.5 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.424 ' HG3' ' ND1' ' A' ' 91' ' ' HIS . 18.2 Cg_endo -74.96 150.34 38.21 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.529 1.805 . . . . 0.0 110.971 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp -135.4 145.62 47.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.996 ' NE ' ' HB2' ' A' ' 105' ' ' ALA . 7.3 ptp180 -66.42 -9.0 29.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.681 ' HB3' ' O ' ' A' ' 102' ' ' ARG . . . 84.27 -59.5 0.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.502 HG12 ' N ' ' A' ' 105' ' ' ALA . 96.7 t -61.93 -100.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.996 ' HB2' ' NE ' ' A' ' 102' ' ' ARG . . . 50.65 -176.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 4.9 ptt85 -51.04 152.2 2.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.308 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -55.61 150.98 11.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.309 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 110' ' ' GLY . 9.8 tt0 -141.94 126.95 18.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 27.3 t 62.24 -82.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 110.029 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 108' ' ' GLU . . . 155.38 -158.99 28.85 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.116 . . . . 0.0 110.986 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 52.6 p -154.9 -167.21 2.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 110.045 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -127.36 100.92 0.56 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.456 1.097 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 138.56 23.32 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.501 1.79 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.09 96.03 4.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.994 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.8 t -94.06 145.26 24.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.045 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.488 1.118 . . . . 0.0 110.979 -179.956 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.9 p 58.58 112.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 110.0 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.6 t -177.56 124.87 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.035 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.53 -59.32 0.57 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.478 1.111 . . . . 0.0 111.01 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 m -56.53 -58.4 8.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 0.759 . . . . 0.0 110.032 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 t -46.83 147.54 1.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 110.018 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.59 -157.77 7.29 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.469 1.106 . . . . 0.0 111.027 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.5 159.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 0.0 110.971 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -173.81 -59.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.256 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.8 mttt -116.63 150.48 38.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.339 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.9 t -86.82 49.27 1.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 110.428 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.9 tp -161.34 89.53 0.77 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -84.76 58.32 4.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 110.274 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 58.2 p -131.11 86.87 2.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.404 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.5 m -70.25 155.42 93.47 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 159.8 40.81 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.501 1.79 . . . . 0.0 111.019 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 pp -125.36 126.55 45.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -164.72 76.48 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.268 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.1 ttt180 -178.2 168.32 1.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.26 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.17 63.81 0.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 22' ' ' ARG . 0.9 OUTLIER -129.64 113.86 15.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 21' ' ' LYS . 1.2 mpt_? 38.96 83.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.47 ' O ' ' CD1' ' A' ' 27' ' ' PHE . 1.7 mt-10 -93.74 -58.22 2.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.287 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.21 -21.63 62.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -77.81 -64.71 1.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -57.58 -18.84 21.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 110.327 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.47 ' CD1' ' O ' ' A' ' 23' ' ' GLU . 1.8 m-85 -70.87 -43.84 67.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.55 -10.73 26.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.264 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.493 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 13.3 tttt -93.4 114.68 27.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.457 HD21 ' HG2' ' A' ' 86' ' ' MET . 8.3 mp -104.87 165.59 10.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.646 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 18.9 t80 -120.24 110.6 16.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 111.032 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.869 HG21 HD11 ' A' ' 44' ' ' LEU . 10.2 mm -82.87 126.03 40.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.36 118.35 2.78 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.893 ' O ' HG12 ' A' ' 98' ' ' VAL . . . 121.72 33.15 0.95 Allowed Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.657 HD11 HG22 ' A' ' 32' ' ' ILE . 2.1 mp -76.67 -1.36 27.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 0.786 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.566 ' O ' ' CD2' ' A' ' 37' ' ' PHE . 3.3 t 57.7 15.38 2.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.097 . . . . 0.0 110.0 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.566 ' CD2' ' O ' ' A' ' 36' ' ' SER . 4.1 m-85 74.83 -2.26 2.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.504 ' O ' HG23 ' A' ' 40' ' ' THR . 0.8 OUTLIER -97.13 -67.93 0.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.456 ' CG2' ' HB2' ' A' ' 44' ' ' LEU . 1.0 OUTLIER -37.86 96.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.399 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.504 HG23 ' O ' ' A' ' 38' ' ' GLU . 33.2 p -78.67 -167.23 1.04 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 110.421 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.658 ' CG ' HG12 ' A' ' 59' ' ' VAL . 22.3 mt-10 -59.09 -54.57 45.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.345 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 43' ' ' SER . 6.2 tt0 -62.85 -64.82 0.8 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 42' ' ' GLU . 16.4 m -38.0 -48.17 1.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 109.953 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.869 HD11 HG21 ' A' ' 32' ' ' ILE . 4.7 tp -60.26 -53.08 61.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.679 ' HG2' HD12 ' A' ' 54' ' ' LEU . 80.5 mtm180 -57.59 -48.77 78.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.33 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -45.07 -28.42 0.71 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.148 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.691 ' CD2' ' CD1' ' A' ' 93' ' ' ILE . 65.1 t80 -94.38 -44.65 7.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.85 ' CZ ' HD12 ' A' ' 32' ' ' ILE . 36.4 m-85 -86.94 22.14 2.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 45' ' ' ARG . 2.9 mt-10 -99.44 -31.87 11.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 0.0 110.311 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.411 ' HG2' ' N ' ' A' ' 51' ' ' TRP . 1.6 pt20 -64.82 -30.99 72.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.249 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.678 ' CZ3' ' CE1' ' A' ' 91' ' ' HIS . 8.3 m0 -79.8 -42.81 23.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 107.997 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.08 160.87 29.95 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.55 1.156 . . . . 0.0 111.002 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.12 116.35 22.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 0.799 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.716 HD13 ' CG1' ' A' ' 74' ' ' VAL . 14.8 mt -76.89 102.34 6.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.407 ' N ' ' O ' ' A' ' 75' ' ' THR . 26.1 p -64.52 -13.15 51.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.389 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -153.45 111.15 3.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.578 ' SG ' HD23 ' A' ' 44' ' ' LEU . 46.0 t -126.31 120.43 29.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 108.308 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 12.2 t -128.76 143.66 40.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.658 HG12 ' CG ' ' A' ' 41' ' ' GLU . 13.9 p -124.44 112.69 33.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.264 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.578 ' HG3' ' CZ ' ' A' ' 71' ' ' PHE . 34.9 mmt -66.88 150.54 49.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.98 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.43 ' HA ' ' N ' ' A' ' 69' ' ' ARG . 20.0 mtt180 -140.34 128.2 21.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 110.263 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.495 ' CB ' ' HB2' ' A' ' 65' ' ' SER . 29.4 m-20 -40.15 120.16 1.52 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.16 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -18.24 18.72 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.47 1.774 . . . . 0.0 110.972 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -94.66 -46.67 6.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.495 ' HB2' ' CB ' ' A' ' 62' ' ' ASP . 4.0 m -80.46 -48.5 12.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.996 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 62' ' ' ASP . 0.7 OUTLIER 76.46 31.99 0.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 0.0 109.243 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 68' ' ' SER . 9.3 mtp-105 -129.35 49.69 2.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.262 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 67' ' ' ARG . 18.6 m 60.72 145.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 110.005 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.454 ' NE ' ' OD1' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -92.66 -28.95 16.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.291 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 98.34 21.72 16.61 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.646 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -160.94 151.63 18.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 0.788 . . . . 0.0 110.976 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -154.74 -160.44 9.87 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.486 1.117 . . . . 0.0 110.978 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.414 ' HA ' ' O ' ' A' ' 30' ' ' LEU . 9.9 m-85 -131.47 148.23 52.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.774 . . . . 0.0 110.981 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.716 ' CG1' HD13 ' A' ' 54' ' ' LEU . 21.8 m -130.25 120.88 50.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.255 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 55' ' ' THR . 6.9 m -107.04 98.13 7.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.367 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.549 ' CD1' ' HB ' ' A' ' 82' ' ' VAL . 65.2 m-85 -65.44 167.88 8.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 111.059 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.5 t -83.14 -46.82 12.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.3 p -115.05 164.23 14.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.043 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.408 ' HA ' ' CG1' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -77.18 -25.06 51.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.09 . . . . 0.0 111.002 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.1 -65.58 0.66 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 109.261 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.706 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 81.3 mt-10 -40.79 -62.48 0.79 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.549 ' HB ' ' CD1' ' A' ' 76' ' ' PHE . 7.6 p -48.75 -51.18 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.444 ' N ' HG13 ' A' ' 82' ' ' VAL . 0.4 OUTLIER -51.82 -27.67 13.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.706 ' HB3' ' O ' ' A' ' 81' ' ' GLU . . . -68.87 -65.75 0.66 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.402 ' HB1' ' HE1' ' A' ' 91' ' ' HIS . . . -45.01 -42.85 8.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.457 ' HG2' HD21 ' A' ' 30' ' ' LEU . 1.2 mtp -52.15 -45.36 64.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 110.978 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -105.8 51.31 0.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -142.82 30.08 1.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.482 ' HA ' ' C ' ' A' ' 90' ' ' PRO . 2.3 mtm180 -84.54 159.18 59.02 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.469 1.106 . . . . 0.0 110.272 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.482 ' C ' ' HA ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -75.0 -178.6 23.95 Favored 'Cis proline' 0 C--N 1.361 1.184 0 C-N-CA 121.023 -2.49 . . . . 0.0 110.967 0.033 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.678 ' CE1' ' CZ3' ' A' ' 51' ' ' TRP . 8.0 m170 -118.47 118.83 32.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.601 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.601 ' O ' ' CE1' ' A' ' 47' ' ' TYR . 79.5 p -109.75 117.58 34.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.015 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.691 ' CD1' ' CD2' ' A' ' 47' ' ' TYR . 7.2 mt -137.24 134.22 47.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 57.03 25.74 11.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 74.43 23.44 75.52 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.57 1.169 . . . . 0.0 111.025 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.468 ' HG3' ' CB ' ' A' ' 36' ' ' SER . 0.0 OUTLIER -117.4 144.95 44.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 0.783 . . . . 0.0 110.333 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.407 ' O ' HG12 ' A' ' 97' ' ' VAL . 83.6 t -86.37 74.77 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.893 HG12 ' O ' ' A' ' 34' ' ' GLY . 1.7 m -72.68 168.55 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.406 ' HB3' ' NH1' ' A' ' 89' ' ' ARG . 2.7 pt-20 -151.06 113.81 3.11 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.429 ' HG3' ' ND1' ' A' ' 91' ' ' HIS . 18.3 Cg_endo -75.06 162.94 36.17 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.532 1.806 . . . . 0.0 110.964 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -139.9 155.7 47.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.514 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 3.2 mtt180 -57.65 -35.92 71.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.566 1.166 . . . . 0.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 102' ' ' ARG . . . 72.58 52.9 0.16 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.1 . . . . 0.0 109.345 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 31.0 m -118.43 171.93 6.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 109.273 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.94 83.64 6.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.76 138.97 52.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.342 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 49.57 83.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -140.84 168.95 18.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 110.331 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.0 110.66 7.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 109.991 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -153.91 118.68 0.88 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.7 m -68.28 -58.78 3.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.759 . . . . 0.0 110.015 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 62.2 -177.07 5.81 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.515 1.135 . . . . 0.0 110.987 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 146.9 33.21 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.502 1.79 . . . . 0.0 110.977 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.0 t -132.67 146.05 51.56 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.44 1.088 . . . . 0.0 109.997 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.6 t -133.86 161.34 35.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.0 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.945 0 O-C-N 124.45 1.094 . . . . 0.0 111.014 179.976 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.38 157.66 4.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 0.74 . . . . 0.0 109.991 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.2 p -168.46 166.3 12.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.974 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.73 -142.29 5.74 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.457 1.098 . . . . 0.0 111.011 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.54 159.04 0.86 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 0.787 . . . . 0.0 109.983 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -128.36 168.28 15.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.964 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.52 120.99 1.18 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.441 ' N ' ' SD ' ' A' ' 8' ' ' MET . 0.3 OUTLIER -173.46 158.8 3.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 0.745 . . . . 0.0 111.037 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 179.68 -43.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 110.322 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 63.81 142.33 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.9 t -140.84 63.44 1.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.386 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.7 mt -156.78 129.15 7.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.21 -65.83 1.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 60.41 104.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 110.402 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 23.7 m -43.6 142.39 1.85 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 164.97 32.3 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.524 1.802 . . . . 0.0 110.996 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 mt -140.33 159.48 42.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.259 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -152.35 168.37 25.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -179.79 87.68 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -130.27 171.05 13.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.44 -55.59 1.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.61 104.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 110.29 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -94.79 -6.24 43.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.305 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.91 -22.83 33.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.315 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 29' ' ' LYS . 6.0 mt-10 -85.06 -55.16 4.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.343 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.457 ' CG ' HG12 ' A' ' 104' ' ' VAL . 21.3 tt0 -38.61 -29.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 110.284 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.488 ' O ' ' CE ' ' A' ' 79' ' ' MET . 1.8 m-30 -52.24 -53.65 41.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.706 ' HG3' HG22 ' A' ' 75' ' ' THR . 0.1 OUTLIER -116.04 5.29 13.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.536 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -89.31 113.42 24.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.64 HD21 ' SD ' ' A' ' 86' ' ' MET . 6.1 mp -103.97 140.48 37.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.756 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 17.2 t80 -98.38 112.26 24.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 111.031 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.604 HG21 HD11 ' A' ' 44' ' ' LEU . 9.5 mm -83.94 135.95 23.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.82 149.96 18.39 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.441 1.088 . . . . 0.0 111.022 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.573 ' O ' HG12 ' A' ' 98' ' ' VAL . . . 60.37 84.1 0.05 OUTLIER Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.046 -0.821 . . . . 0.0 111.046 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.602 HD21 HG22 ' A' ' 32' ' ' ILE . 7.3 mt -104.26 0.96 29.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 0.782 . . . . 0.0 109.261 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.554 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 0.5 OUTLIER 74.63 1.8 3.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.973 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.554 ' CG ' ' C ' ' A' ' 36' ' ' SER . 2.8 m-85 75.54 -2.3 2.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.1 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 39' ' ' THR . 52.9 mt-10 -108.14 -59.77 1.81 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 38' ' ' GLU . 1.8 m -36.44 100.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.389 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 69.8 p -78.06 -165.64 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.377 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -63.79 -51.0 66.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 110.323 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.449 ' C ' ' N ' ' A' ' 44' ' ' LEU . 49.2 tt0 -64.42 -64.46 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 42' ' ' GLU . 14.8 m -38.93 -30.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.032 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.604 HD11 HG21 ' A' ' 32' ' ' ILE . 11.0 tp -79.87 -62.43 1.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.477 ' HG2' HD12 ' A' ' 54' ' ' LEU . 4.3 mtp180 -50.23 -42.34 51.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.273 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -47.14 -30.31 2.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.351 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.738 ' CD2' HD11 ' A' ' 93' ' ' ILE . 83.3 t80 -94.05 -42.09 9.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 111.036 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.531 ' CZ ' HD12 ' A' ' 32' ' ' ILE . 37.4 m-85 -87.55 21.66 2.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.957 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 45' ' ' ARG . 2.1 mt-10 -99.0 -31.24 11.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.15 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.408 ' CD ' ' O ' ' A' ' 47' ' ' TYR . 1.1 pt20 -63.92 -34.99 79.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 110.344 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.65 ' CH2' ' NE2' ' A' ' 91' ' ' HIS . 5.6 m-90 -77.25 -45.77 25.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 107.986 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -171.81 160.88 32.83 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.141 . . . . 0.0 110.999 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.28 118.0 23.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.572 HD13 ' CG1' ' A' ' 74' ' ' VAL . 14.0 mt -74.8 99.32 3.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 75' ' ' THR . 69.9 p -45.52 -26.36 0.57 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.093 . . . . 0.0 110.433 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -160.87 132.23 5.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.34 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 6.4 t -128.46 131.76 48.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 108.322 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.9 t -133.99 139.86 47.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.549 HG23 HD12 ' A' ' 35' ' ' LEU . 10.3 p -122.99 112.55 34.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.57 ' HG3' ' CE1' ' A' ' 71' ' ' PHE . 32.3 mmt -65.8 153.45 41.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.407 ' HA ' ' N ' ' A' ' 69' ' ' ARG . 10.8 mtt180 -140.19 142.64 35.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 110.269 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -40.3 125.34 1.74 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 0.0 109.268 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -15.74 20.65 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.498 1.788 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -102.65 -43.4 5.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.7 -31.12 41.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 110.034 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.35 42.15 15.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.082 . . . . 0.0 109.256 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 45.6 mtt-85 -123.68 -79.25 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 110.275 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.2 p -159.44 144.01 15.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.998 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.407 ' N ' ' HA ' ' A' ' 61' ' ' ARG . 2.1 mtm180 -94.32 -40.39 9.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.31 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 109.14 19.52 8.45 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.458 1.098 . . . . 0.0 110.996 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.756 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 1.1 p90 -160.35 151.41 19.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 0.743 . . . . 0.0 111.012 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -155.67 -158.74 8.95 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.512 1.132 . . . . 0.0 111.042 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.408 ' HA ' ' O ' ' A' ' 30' ' ' LEU . 7.3 m-85 -131.77 151.72 51.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 0.749 . . . . 0.0 111.016 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.572 ' CG1' HD13 ' A' ' 54' ' ' LEU . 15.9 m -140.62 111.75 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.706 HG22 ' HG3' ' A' ' 28' ' ' ARG . 4.3 m -100.16 112.9 25.22 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.106 . . . . 0.0 110.387 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -78.86 167.2 21.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 110.977 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.39 -39.97 18.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.023 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.2 t -115.55 156.66 25.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.027 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.488 ' CE ' ' O ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -82.75 -11.43 58.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 111.011 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -80.22 -46.0 17.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.127 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.654 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 18.7 mt-10 -60.44 -52.49 65.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.273 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.639 HG23 HD22 ' A' ' 30' ' ' LEU . 7.4 p -53.57 -51.57 41.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.46 ' N ' HG13 ' A' ' 82' ' ' VAL . 0.2 OUTLIER -51.0 -32.21 20.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.654 ' HB3' ' O ' ' A' ' 81' ' ' GLU . . . -64.64 -64.99 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -41.85 -47.66 4.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.26 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.64 ' SD ' HD21 ' A' ' 30' ' ' LEU . 93.0 mmm -49.76 -54.4 19.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 111.023 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -92.97 50.59 1.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -144.13 37.48 1.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.489 ' CB ' ' HA ' ' A' ' 90' ' ' PRO . 2.0 mtm180 -90.22 160.7 39.41 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.283 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.489 ' HA ' ' CB ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -75.02 -177.13 19.64 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.985 -2.506 . . . . 0.0 111.018 0.053 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.65 ' NE2' ' CH2' ' A' ' 51' ' ' TRP . 3.8 m170 -121.56 110.16 15.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.593 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.704 ' O ' HD13 ' A' ' 93' ' ' ILE . 94.1 p -101.56 126.2 48.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.967 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.738 HD11 ' CD2' ' A' ' 47' ' ' TYR . 10.7 mm -131.91 120.67 45.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.58 15.17 5.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 93.95 14.28 52.51 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.51 ' O ' ' HA ' ' A' ' 92' ' ' SER . 0.6 OUTLIER -105.98 139.74 40.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 0.761 . . . . 0.0 110.313 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 89.3 t -84.63 76.72 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.337 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.644 HG22 ' O ' ' A' ' 91' ' ' HIS . 1.8 m -71.9 165.0 3.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 109.32 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -134.35 108.16 11.23 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.261 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.431 ' HG3' ' ND1' ' A' ' 91' ' ' HIS . 18.3 Cg_endo -75.02 157.57 42.61 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.55 1.816 . . . . 0.0 111.026 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -143.56 156.95 44.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.691 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -68.7 -34.34 75.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.261 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.691 ' HB3' ' O ' ' A' ' 102' ' ' ARG . . . 84.1 24.41 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.15 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.457 HG12 ' CG ' ' A' ' 26' ' ' GLN . 33.3 m -98.5 -174.77 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 104' ' ' VAL . . . 67.93 110.78 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.28 -68.57 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 64.74 133.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.318 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -146.31 98.18 3.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 110.341 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -84.23 165.09 18.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.004 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -131.35 -156.05 8.34 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.476 1.11 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 37.9 p -146.51 141.51 27.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 0.79 . . . . 0.0 109.99 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 143.69 157.41 7.16 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.472 1.107 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 169.54 22.41 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.497 1.788 . . . . 0.0 110.985 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.4 -59.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.014 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.6 158.89 0.84 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.991 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 O-C-N 124.49 1.119 . . . . 0.0 111.032 -179.998 . . . . . . . . 0 0 . 1 stop_ save_