data_1qrj_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 1qrj _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 ' 15' ' ' MET . . . . . 0.572 ' HG3' ' CZ ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.418 0.151 . . . . 0.0 111.022 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.424 ' HG3' ' CG ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -80.27 -167.66 1.4 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.605 1.191 . . . . 0.0 110.235 -179.916 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.7 tpt -72.54 -57.39 4.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.424 ' CG ' ' HG3' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -47.61 -31.94 5.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.414 ' N ' ' HG3' ' A' ' 18' ' ' LYS . 38.1 m-20 -63.82 -43.64 95.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.473 ' CD2' ' CE ' ' A' ' 15' ' ' MET . 8.1 mt -71.29 -32.15 68.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 109.349 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 73.2 mm-40 -64.27 -41.99 96.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 110.336 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.29 -45.82 89.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.385 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.442 ' HA ' ' CG ' ' A' ' 26' ' ' GLU . 43.2 mt -57.35 -48.5 82.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.344 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.48 -35.96 21.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 28' ' ' SER . 6.0 mt-30 -69.55 -72.74 0.18 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.51 1.131 . . . . 0.0 110.336 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.442 ' CG ' ' HA ' ' A' ' 23' ' ' ILE . 14.0 pt-20 -44.28 -26.32 0.31 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.544 1.152 . . . . 0.0 110.296 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.441 ' CG2' HG23 ' A' ' 40' ' ' THR . 13.2 t -81.49 -43.85 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' GLN . 0.1 OUTLIER -51.25 -26.77 7.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 110.014 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.64 -37.57 56.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.38 166.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -107.07 162.98 17.93 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.411 1.069 . . . . 0.0 109.279 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 112.62 3.6 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.425 1.75 . . . . 0.0 111.047 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 72.45 49.35 20.01 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.428 1.08 . . . . 0.0 111.003 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.6 155.3 75.3 Favored Pre-proline 0 C--N 1.323 -0.545 0 O-C-N 124.518 0.775 . . . . 0.0 110.03 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 49.92 2.41 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.422 1.749 . . . . 0.0 110.966 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.5 tp60 -121.12 -47.25 2.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 110.336 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.533 ' CD2' ' N ' ' A' ' 38' ' ' MET . 3.6 t80 -66.12 -62.58 1.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.533 ' N ' ' CD2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -50.25 -47.05 55.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.96 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -53.36 -42.68 67.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.267 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.441 HG23 ' CG2' ' A' ' 27' ' ' VAL . 1.3 m -61.82 -26.14 67.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 110.37 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.463 HG22 ' CD2' ' A' ' 118' ' ' LEU . 20.1 mm -68.83 -49.68 61.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.374 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -27.1 65.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.107 . . . . 0.0 110.354 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.1 tp -69.95 -40.66 75.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.226 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.15 -39.97 71.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -69.11 -31.44 50.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -86.35 -12.33 49.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 110.245 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -80.59 -72.45 0.41 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.572 ' CZ ' ' HG3' ' A' ' 15' ' ' MET . 9.4 p90 -113.15 -25.53 8.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.941 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.403 ' OD1' ' C ' ' A' ' 48' ' ' PHE . 1.4 m-20 72.79 93.92 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 125.48 9.38 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.547 1.814 . . . . 0.0 110.967 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.5 p -58.84 -170.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.418 1.074 . . . . 0.0 110.36 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.447 ' HB1' ' CZ ' ' A' ' 113' ' ' TYR . . . -65.7 -44.54 85.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.083 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.19 -56.62 16.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -53.73 -49.6 67.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.514 HD11 ' CG ' ' A' ' 117' ' ' TRP . 13.6 mt -51.79 -41.45 61.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.85 -56.23 15.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.332 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -65.07 -51.5 61.09 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.412 1.07 . . . . 0.0 109.248 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.474 HD23 ' CH2' ' A' ' 117' ' ' TRP . 21.1 tp -46.07 -32.2 2.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 36.8 tp -69.29 -50.34 47.69 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.486 1.116 . . . . 0.0 109.247 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.81 23.52 2.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.311 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.432 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 91.3 t80 -116.44 -52.94 2.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.575 1.172 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.1 mt -98.34 -58.22 2.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.468 ' HB3' ' CG1' ' A' ' 67' ' ' VAL . 22.9 m -59.22 171.06 0.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 108.328 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.28 171.44 9.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.976 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 40.6 t -58.17 -70.75 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.986 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.6 tp -45.3 -54.22 7.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.468 ' CG1' ' HB3' ' A' ' 63' ' ' CYS . 1.4 t -46.63 -45.59 7.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.06 -42.11 62.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.7 t -65.31 -60.36 3.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.018 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 89.7 mt -46.45 -47.82 19.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.571 ' CD2' ' HB3' ' A' ' 120' ' ' ALA . 65.8 t-80 -62.84 -46.34 88.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.619 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.81 -34.27 53.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.587 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -73.38 -36.1 66.02 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.445 1.091 . . . . 0.0 110.335 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -58.72 -56.46 21.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.143 . . . . 0.0 110.346 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.47 ' CD2' ' HG ' ' A' ' 116' ' ' LEU . 4.7 mt -54.42 -53.28 56.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.73 -36.16 0.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.14 -51.49 9.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 110.013 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.476 ' HB3' ' CD1' ' A' ' 116' ' ' LEU . 4.6 tp -49.34 -52.9 25.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 82' ' ' ALA . 1.2 mp -56.94 -44.38 82.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.1 p -44.71 -35.2 2.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.991 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -77.45 -36.25 53.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 110.305 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 79' ' ' ILE . . . -69.13 -69.36 0.34 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.234 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -44.94 -37.88 4.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.362 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.5 m -59.96 -42.89 95.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.379 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.47 -0.31 41.16 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.552 1.157 . . . . 0.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.7 -8.76 61.35 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.604 1.19 . . . . 0.0 111.043 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.471 ' CG2' ' HG ' ' A' ' 109' ' ' LEU . 37.0 mt 59.48 154.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 0.759 . . . . 0.0 109.322 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.427 ' C ' ' O ' ' A' ' 87' ' ' ILE . 0.1 OUTLIER -36.3 -80.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.531 1.144 . . . . 0.0 110.431 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -134.56 54.34 0.76 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.475 1.109 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.454 ' CB ' ' HB ' ' A' ' 87' ' ' ILE . 35.6 t80 -81.18 163.75 22.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 0.765 . . . . 0.0 110.982 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -115.95 87.57 19.13 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.105 0 O-C-N 124.503 1.791 . . . . 0.0 110.959 -179.983 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.875 0 N-CA-C 110.971 -0.434 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.5 tp -120.65 -62.84 1.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.457 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 0.0 OUTLIER -46.05 -29.22 1.4 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 0.0 110.323 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 89.4 t -61.06 -44.99 99.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.475 ' CG ' ' OE1' ' A' ' 106' ' ' GLN . 21.8 mp0 -67.38 -32.79 73.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.95 -20.23 59.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.575 1.172 . . . . 0.0 109.338 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 98' ' ' ARG . 56.5 m-80 -102.74 1.24 34.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.245 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -80.35 125.01 82.08 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.612 1.195 . . . . 0.0 109.228 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 48.08 1.9 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 0.0 111.07 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -144.33 -45.43 0.25 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.475 ' OE1' ' CG ' ' A' ' 100' ' ' GLN . 28.6 mt-30 -79.65 108.94 13.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.302 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -103.19 -24.22 13.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 110.352 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -72.27 -48.35 25.42 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.55 1.156 . . . . 0.0 111.039 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.471 ' HG ' ' CG2' ' A' ' 87' ' ' ILE . 0.5 OUTLIER -75.85 -44.27 41.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 0.759 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.43 -46.43 37.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.16 -47.97 69.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -54.01 -35.72 62.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 110.234 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.447 ' CZ ' ' HB1' ' A' ' 52' ' ' ALA . 2.7 t80 -67.27 -39.42 86.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.82 -46.45 84.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.289 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.43 -39.76 58.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.158 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.476 ' CD1' ' HB3' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -57.36 -44.57 84.49 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.797 ' CZ2' ' CE1' ' A' ' 121' ' ' PHE . 48.2 t90 -61.47 -61.83 2.26 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.458 1.099 . . . . 0.0 108.068 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.463 ' CD2' HG22 ' A' ' 41' ' ' ILE . 85.2 mt -44.82 -31.44 1.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -58.47 -59.02 6.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.571 ' HB3' ' CD2' ' A' ' 71' ' ' HIS . . . -61.22 -32.12 71.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.797 ' CE1' ' CZ2' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -67.04 -27.6 67.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -102.79 2.41 35.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.261 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -98.01 1.92 48.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 109.352 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 61.9 mt -73.49 147.39 87.22 Favored Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.089 0 O-C-N 124.601 1.842 . . . . 0.0 110.967 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.89 0 N-CA-C 111.031 -0.411 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.81 -27.42 57.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.974 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.503 ' CD1' HD23 ' A' ' 155' ' ' LEU . 22.2 p-90 -73.03 -15.08 61.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.17 . . . . 0.0 107.968 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.89 -11.86 42.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.64 34.48 3.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.021 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.468 ' CD1' ' HA ' ' A' ' 133' ' ' TRP . 53.2 mt -117.94 118.27 57.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.609 1.193 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -137.98 158.57 44.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.35 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . 0.425 ' HG3' ' CD2' ' A' ' 144' ' ' TYR . 0.1 OUTLIER -74.08 117.74 16.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -66.78 150.41 51.92 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.587 1.18 . . . . 0.0 111.001 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.454 ' N ' ' OD1' ' A' ' 178' ' ' ASN . 1.6 tm? -59.54 -22.07 61.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 0.736 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -135.33 53.29 1.98 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.269 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -126.0 160.7 55.57 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.311 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 144' ' ' TYR . 18.1 Cg_endo -75.02 80.88 2.34 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.576 1.829 . . . . 0.0 110.969 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' TYR . . . . . 0.608 ' CD2' ' SG ' ' A' ' 202' ' ' CYS . 30.6 t80 -36.84 -51.34 0.89 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 0.0 111.024 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' HIS . . . . . 0.417 ' HA ' ' CD1' ' A' ' 199' ' ' LEU . 1.2 t-160 -54.58 -57.9 9.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.601 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -58.45 -39.81 80.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . 0.474 ' CZ ' HD11 ' A' ' 151' ' ' LEU . 6.6 t80 -59.9 -48.29 82.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 111.044 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.501 ' CG2' ' O ' ' A' ' 144' ' ' TYR . 21.5 t -55.5 -45.99 78.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -55.77 -57.34 12.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.424 1.078 . . . . 0.0 110.278 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 153' ' ' ILE . 6.3 ttm105 -55.29 -52.48 63.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.291 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . 0.474 HD11 ' CZ ' ' A' ' 147' ' ' PHE . 0.5 OUTLIER -41.02 -41.3 1.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -64.58 -48.4 75.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . 0.448 ' N ' ' O ' ' A' ' 150' ' ' ARG . 51.1 mt -63.54 -69.31 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 153' ' ' ILE . . . -39.64 -30.85 0.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 0.503 HD23 ' CD1' ' A' ' 133' ' ' TRP . 2.5 mt -68.45 -63.97 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.342 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -49.62 -22.82 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . 0.403 ' N ' ' C ' ' A' ' 155' ' ' LEU . 0.6 OUTLIER -65.26 -24.57 67.35 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -150.39 43.57 0.72 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.541 1.151 . . . . 0.0 110.975 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.471 HD21 ' CD2' ' A' ' 155' ' ' LEU . 0.3 OUTLIER -122.43 102.72 39.14 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.536 0.786 . . . . 0.0 109.335 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 139.71 24.76 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.425 1.75 . . . . 0.0 111.043 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -50.22 -31.8 14.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -59.92 -23.3 58.99 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.491 1.12 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 1.5 m -114.45 143.23 29.47 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.491 0.759 . . . . 0.0 110.382 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 147.96 34.81 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.42 1.747 . . . . 0.0 110.99 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 165' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 166' ' ' ASP . 0.1 OUTLIER -119.75 -39.82 2.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . 0.503 ' N ' ' CD ' ' A' ' 167' ' ' PRO . 0.5 OUTLIER -40.3 -51.97 5.99 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 167' ' ' PRO . . . . . 0.503 ' CD ' ' N ' ' A' ' 166' ' ' ASP . 18.3 Cg_endo -74.99 -55.26 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.552 1.817 . . . . 0.0 111.003 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -41.56 -40.67 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 169' ' ' LEU . . . . . 0.42 ' CD1' ' HB3' ' A' ' 151' ' ' LEU . 68.2 tp -63.02 -55.86 21.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 8.4 mtm180 -57.97 -17.75 19.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.286 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 171' ' ' SER . . . . . 0.45 ' O ' ' CB ' ' A' ' 175' ' ' SER . 0.2 OUTLIER -87.49 -36.18 17.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 109.969 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.466 ' CD1' HD21 ' A' ' 155' ' ' LEU . 6.0 mt -78.74 -20.62 49.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.224 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -84.75 -33.99 22.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 174' ' ' TYR . . . . . 0.407 ' C ' ' N ' ' A' ' 176' ' ' ASN . 5.0 t80 -107.45 -73.27 0.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 175' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 171' ' ' SER . 0.1 OUTLIER -39.9 -31.55 0.12 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.055 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 176' ' ' ASN . . . . . 0.407 ' N ' ' C ' ' A' ' 174' ' ' TYR . 3.7 m-80 -117.26 60.31 0.76 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.419 1.074 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -126.31 140.0 52.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.554 1.159 . . . . 0.0 109.236 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 178' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 140' ' ' LEU . 0.7 OUTLIER -46.96 172.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . 0.419 ' C ' ' N ' ' A' ' 181' ' ' CYS . 5.0 mtmm -61.13 -71.88 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.69 -26.4 0.24 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.261 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 181' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 184' ' ' LEU . 1.8 t -75.06 -65.09 0.92 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.558 1.161 . . . . 0.0 108.282 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -48.69 -33.98 11.09 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 110.314 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -71.35 -32.06 68.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.44 1.088 . . . . 0.0 109.218 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . 0.458 ' CD2' ' C ' ' A' ' 184' ' ' LEU . 2.8 tt -68.84 -56.2 8.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.249 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 185' ' ' LEU . . . . . 0.549 ' CD2' ' NE2' ' A' ' 190' ' ' HIS . 3.1 mt -49.19 -52.19 28.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.584 1.177 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 186' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 189' ' ' GLY . 0.8 OUTLIER -60.78 -57.77 11.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.233 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -51.01 -22.6 2.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.26 -28.86 26.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.082 . . . . 0.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 189' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 186' ' ' GLN . . . 64.76 61.26 6.04 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 190' ' ' HIS . . . . . 0.549 ' NE2' ' CD2' ' A' ' 185' ' ' LEU . 0.4 OUTLIER -154.86 29.45 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 0.732 . . . . 0.0 109.658 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 77.4 p -56.82 -61.74 2.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.425 1.078 . . . . 0.0 110.395 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -75.25 61.36 1.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.245 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 193' ' ' SER . . . . . 0.54 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER -140.78 -179.57 1.02 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.014 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . 0.54 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.1 Cg_endo -75.09 172.56 16.11 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.455 1.766 . . . . 0.0 110.981 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 195' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 198' ' ' MET . 9.8 tp -71.01 -40.01 72.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -45.92 -36.98 7.11 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.584 1.178 . . . . 0.0 110.936 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 197' ' ' ASP . . . . . 0.413 ' HB3' ' ND1' ' A' ' 190' ' ' HIS . 7.3 m-20 -75.08 -32.31 61.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 0.751 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 198' ' ' MET . . . . . 0.466 ' N ' ' O ' ' A' ' 195' ' ' LEU . 71.2 mtp -63.7 -37.56 87.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 199' ' ' LEU . . . . . 0.417 ' CD1' ' HA ' ' A' ' 145' ' ' HIS . 3.0 mm? -77.03 -24.03 52.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.19 -13.34 50.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.354 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -92.13 -29.82 16.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 202' ' ' CYS . . . . . 0.608 ' SG ' ' CD2' ' A' ' 144' ' ' TYR . 64.0 m -93.91 -21.07 19.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 108.282 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 203' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 202' ' ' CYS . 13.0 pt20 -38.15 -32.35 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 204' ' ' THR . . . . . 0.419 ' N ' ' O ' ' A' ' 202' ' ' CYS . 4.6 t . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.362 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.594 ' SD ' ' CZ ' ' A' ' 48' ' ' PHE . 1.3 tpt . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.487 0.184 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -98.05 163.32 12.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 110.278 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -43.68 -29.77 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 111.037 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.08 -56.02 25.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -50.58 -52.02 42.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.564 ' HB3' ' CE2' ' A' ' 61' ' ' TYR . 14.2 mt -58.78 -38.06 77.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.9 -55.19 37.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.41 ' O ' ' CD ' ' A' ' 26' ' ' GLU . . . -54.56 -41.58 69.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.5 mt -60.74 -50.71 79.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.339 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -56.28 -30.3 62.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -72.83 -72.44 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.579 1.175 . . . . 0.0 110.3 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.459 ' HG3' ' CG2' ' A' ' 40' ' ' THR . 1.0 OUTLIER -45.04 -31.53 1.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 30' ' ' ALA . 3.3 t -71.83 -54.95 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.66 -48.02 2.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.981 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -54.89 -43.33 73.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.324 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.47 ' CB ' ' HB3' ' A' ' 36' ' ' GLN . . . -52.61 170.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -114.96 163.38 19.87 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 74.71 3.93 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.498 1.789 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 142.79 -26.12 2.24 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.524 1.14 . . . . 0.0 110.958 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.14 141.22 98.22 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.472 0.748 . . . . 0.0 110.005 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 51.82 2.89 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.455 1.766 . . . . 0.0 110.939 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.47 ' HB3' ' CB ' ' A' ' 30' ' ' ALA . 2.2 tp60 -120.94 -44.84 2.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 110.292 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.405 ' CD2' ' N ' ' A' ' 38' ' ' MET . 4.2 t80 -61.26 -61.63 2.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.405 ' N ' ' CD2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -52.14 -45.07 64.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.997 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -55.85 -44.13 77.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 110.275 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.459 ' CG2' ' HG3' ' A' ' 26' ' ' GLU . 1.1 m -57.64 -30.05 65.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 110.385 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.473 ' CG2' ' CD2' ' A' ' 118' ' ' LEU . 5.2 mm -68.47 -42.66 83.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.37 -29.21 66.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.79 -32.05 72.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.421 1.075 . . . . 0.0 109.293 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -83.16 -36.0 25.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -71.96 -25.0 23.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -95.44 -14.4 23.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 0.0 110.322 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -79.41 -76.13 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.274 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.594 ' CZ ' ' SD ' ' A' ' 15' ' ' MET . 5.2 p90 -110.24 -22.32 11.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.965 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 71.5 95.14 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.246 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.01 118.95 5.45 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.475 1.776 . . . . 0.0 110.989 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 31.5 p -56.01 164.94 1.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.416 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.405 ' HB3' ' CB ' ' A' ' 98' ' ' ARG . . . -46.36 -36.26 6.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.583 1.177 . . . . 0.0 109.31 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -62.24 -59.15 5.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.233 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -54.65 -27.8 42.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.498 HD13 ' CG ' ' A' ' 117' ' ' TRP . 12.6 mt -70.09 -46.98 63.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.076 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -52.07 -48.2 64.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.406 ' C ' ' N ' ' A' ' 59' ' ' LEU . 1.1 t70 -70.77 -53.89 13.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.259 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.1 tp -48.1 -24.43 1.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.557 HD21 ' CD2' ' A' ' 71' ' ' HIS . 34.1 tp -76.98 -50.02 14.13 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.509 1.131 . . . . 0.0 109.258 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -89.13 22.25 2.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.564 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 58.4 t80 -120.18 -36.14 3.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.2 mt -91.98 -61.96 1.52 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.415 ' SG ' ' O ' ' A' ' 59' ' ' LEU . 13.7 p -86.59 179.1 6.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 108.246 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.76 -162.59 0.79 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.123 . . . . 0.0 110.029 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 64.4 m -81.8 -37.2 27.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.011 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.2 tp -55.98 -62.46 1.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.468 HG11 ' CD1' ' A' ' 124' ' ' LEU . 2.7 t -51.11 -52.4 18.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.554 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -49.69 -36.14 24.11 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 p -71.79 -41.68 68.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.007 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 52.6 mt -61.69 -49.0 78.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.589 1.181 . . . . 0.0 109.303 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.557 ' CD2' HD21 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -61.9 -34.82 76.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.622 1.201 . . . . 0.0 109.565 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.554 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 19.8 m-70 -56.97 -36.11 69.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.414 1.071 . . . . 0.0 109.64 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -69.84 -53.54 17.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.085 . . . . 0.0 110.328 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -56.65 -45.15 81.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.472 HD12 ' CD1' ' A' ' 79' ' ' ILE . 0.2 OUTLIER -58.07 -45.99 86.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -55.39 -57.59 11.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.92 -29.39 65.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.069 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.455 ' HB3' ' CD1' ' A' ' 116' ' ' LEU . 2.1 tp -64.58 -68.3 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.472 ' CD1' HD12 ' A' ' 75' ' ' LEU . 1.3 mp -50.11 -43.98 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.0 t -46.38 -40.12 11.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.436 1.085 . . . . 0.0 109.982 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -74.58 -29.27 61.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 110.301 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 79' ' ' ILE . . . -65.75 -60.74 2.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -53.86 -38.86 65.14 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.4 m -65.09 -48.08 74.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 110.435 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.25 -0.02 23.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 110.265 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 73.4 93.01 0.11 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.441 1.088 . . . . 0.0 110.898 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.438 ' CG2' ' HG ' ' A' ' 109' ' ' LEU . 62.8 mt -57.89 151.6 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.561 0.801 . . . . 0.0 109.303 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.444 ' OG1' ' N ' ' A' ' 89' ' ' GLY . 0.1 OUTLIER -38.76 -84.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.432 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.444 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -129.2 60.26 0.68 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.512 1.132 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.445 ' CE1' HD11 ' A' ' 97' ' ' LEU . 53.8 t80 -82.12 148.46 28.52 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.472 0.748 . . . . 0.0 111.011 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -112.6 96.24 35.82 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.413 1.071 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.511 1.795 . . . . 0.0 110.99 -179.976 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.95 0 N-CA-C 111.035 -0.41 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.445 HD11 ' CE1' ' A' ' 90' ' ' TYR . 8.7 tp -120.77 -48.61 2.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.405 ' CB ' ' HB3' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -65.77 -16.63 63.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 110.323 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 81.8 t -73.75 -62.79 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -69.38 -6.78 32.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.273 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -83.16 -33.81 26.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.571 1.17 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.403 ' CG ' ' O ' ' A' ' 98' ' ' ARG . 1.7 m-20 -93.07 14.52 17.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.431 ' ND2' ' OE1' ' A' ' 105' ' ' GLN . 2.6 t30 -85.47 150.03 53.21 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -34.14 4.03 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.507 1.793 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.431 ' OE1' ' ND2' ' A' ' 103' ' ' ASN . 15.0 pt20 -71.35 -49.26 44.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.258 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.403 ' CD ' ' O ' ' A' ' 89' ' ' GLY . 7.0 mm100 -79.79 74.4 6.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.337 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -85.98 -16.66 37.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.227 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -69.37 -58.28 6.7 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.508 1.13 . . . . 0.0 111.049 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.438 ' HG ' ' CG2' ' A' ' 87' ' ' ILE . 0.5 OUTLIER -71.02 -18.53 62.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 0.739 . . . . 0.0 109.248 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 55.9 ttp180 -65.25 -56.32 13.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.304 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.418 ' HG3' ' N ' ' A' ' 112' ' ' GLU . 0.3 OUTLIER -69.01 -30.05 68.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.236 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.418 ' N ' ' HG3' ' A' ' 111' ' ' ARG . 27.6 tp10 -66.86 -42.61 85.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.261 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -64.11 -41.89 97.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -57.31 -40.52 78.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.289 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -76.63 -59.52 2.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 110.313 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.455 ' CD1' ' HB3' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -47.34 -33.69 6.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.568 1.167 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.498 ' CG ' HD13 ' A' ' 55' ' ' LEU . 84.6 t90 -66.54 -52.62 43.73 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.161 . . . . 0.0 108.023 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.473 ' CD2' ' CG2' ' A' ' 41' ' ' ILE . 87.0 mt -57.64 -26.11 61.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.112 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.93 -62.1 1.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.413 1.071 . . . . 0.0 109.254 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.461 ' CB ' HD23 ' A' ' 75' ' ' LEU . . . -59.42 -25.23 64.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.363 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.419 ' CZ ' ' CH2' ' A' ' 117' ' ' TRP . 0.2 OUTLIER -70.79 -38.49 73.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 0.0 110.97 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -94.66 0.15 54.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.113 . . . . 0.0 109.34 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -87.49 2.16 51.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.432 1.083 . . . . 0.0 109.302 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.468 ' CD1' HG11 ' A' ' 67' ' ' VAL . 20.7 mt -81.02 157.45 71.28 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.164 0 O-C-N 124.515 1.797 . . . . 0.0 111.032 179.981 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . 0.463 ' CB ' ' CE2' ' A' ' 133' ' ' TRP . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.905 0 N-CA-C 110.977 -0.432 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.27 -29.39 57.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.978 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.472 ' HA ' ' CD1' ' A' ' 136' ' ' ILE . 15.7 p-90 -73.21 -11.61 60.58 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.7 -10.26 44.86 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.6 p -130.76 26.22 5.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.004 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.472 ' CD1' ' HA ' ' A' ' 133' ' ' TRP . 84.6 mt -114.52 116.19 51.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.217 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.415 ' HA ' ' CZ ' ' A' ' 147' ' ' PHE . 0.0 OUTLIER -143.1 160.86 39.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.275 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . 0.403 ' CD ' ' OD1' ' A' ' 178' ' ' ASN . 2.7 tt0 -90.65 114.08 26.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.581 1.176 . . . . 0.0 110.282 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -71.46 168.0 51.48 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -63.38 -35.69 81.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 0.795 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -112.21 40.52 2.18 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.565 1.166 . . . . 0.0 110.242 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.96 152.26 66.28 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.14 . . . . 0.0 110.277 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 119.92 5.87 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.504 1.792 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' TYR . . . . . 0.442 ' O ' ' CG2' ' A' ' 148' ' ' VAL . 63.8 t80 -74.72 -54.83 6.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.577 1.173 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -47.99 -49.31 31.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.592 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.5 -44.36 82.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . 0.473 ' CE2' HD12 ' A' ' 151' ' ' LEU . 36.5 t80 -57.21 -43.75 83.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.442 ' CG2' ' O ' ' A' ' 144' ' ' TYR . 14.8 t -60.49 -51.42 73.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.52 -54.25 43.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 37.2 ttt85 -59.0 -33.89 71.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.12 . . . . 0.0 110.368 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . 0.473 HD12 ' CE2' ' A' ' 147' ' ' PHE . 0.9 OUTLIER -57.29 -47.75 80.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.257 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -58.35 -46.95 85.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 1.2 mp -60.85 -68.41 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.359 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -45.5 -28.93 1.01 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.341 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 0.453 HD22 ' CD1' ' A' ' 172' ' ' LEU . 4.2 mt -69.31 -60.01 2.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -52.78 -21.27 3.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.594 1.183 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.2 -22.92 61.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.578 1.174 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -141.52 38.39 1.52 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.1 114.97 23.96 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.553 0.796 . . . . 0.0 109.349 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 166.06 30.01 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.524 1.802 . . . . 0.0 111.032 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -77.85 -6.95 55.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.317 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -112.99 34.55 5.03 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.481 1.113 . . . . 0.0 110.961 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' THR . . . . . 0.411 ' HA ' ' HD3' ' A' ' 164' ' ' PRO . 1.3 m -145.92 141.59 16.85 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.47 0.747 . . . . 0.0 110.442 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 164' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 163' ' ' THR . 18.4 Cg_endo -74.96 131.83 14.79 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.397 1.735 . . . . 0.0 111.041 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.1 -37.54 3.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . 0.496 ' N ' ' CD ' ' A' ' 167' ' ' PRO . 0.4 OUTLIER -40.54 -52.26 6.24 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 167' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 166' ' ' ASP . 18.1 Cg_endo -75.07 -49.27 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.517 1.798 . . . . 0.0 111.018 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 168' ' ' ILE . . . . . 0.401 HG23 ' N ' ' A' ' 169' ' ' LEU . 0.0 OUTLIER -45.96 -47.56 5.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 169' ' ' LEU . . . . . 0.463 ' CD1' ' HB3' ' A' ' 151' ' ' LEU . 34.6 tp -59.98 -53.27 59.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.41 1.069 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 -54.45 -19.66 6.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 110.278 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.3 -56.5 3.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.135 . . . . 0.0 110.0 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.464 ' CB ' HD11 ' A' ' 151' ' ' LEU . 1.4 mt -64.13 -15.01 58.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.258 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -88.68 -30.6 19.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.223 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 174' ' ' TYR . . . . . 0.446 ' O ' ' N ' ' A' ' 176' ' ' ASN . 29.8 t80 -110.47 -78.39 0.59 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 110.984 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 175' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 174' ' ' TYR . 22.9 t -37.05 -32.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.03 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 176' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 174' ' ' TYR . 13.9 m-20 -110.74 57.74 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 177' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 174' ' ' TYR . . . -134.01 142.11 47.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 178' ' ' ASN . . . . . 0.61 ' ND2' ' H ' ' A' ' 181' ' ' CYS . 7.7 p-10 -52.28 -175.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.359 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 33.6 mtmt -78.44 -49.9 12.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.341 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -54.05 -36.34 62.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.31 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 181' ' ' CYS . . . . . 0.61 ' H ' ' ND2' ' A' ' 178' ' ' ASN . 19.1 t -69.94 -67.41 0.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 108.267 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -46.15 -43.35 14.98 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.553 1.158 . . . . 0.0 110.289 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 183' ' ' LYS . . . . . 0.504 ' O ' ' CB ' ' A' ' 187' ' ' ALA . 29.3 ttpt -62.44 -34.52 76.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 181' ' ' CYS . 3.1 tt -66.48 -46.83 74.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 185' ' ' LEU . . . . . 0.418 ' CD1' ' HE1' ' A' ' 198' ' ' MET . 9.8 mt -61.3 -65.6 0.67 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.487 1.117 . . . . 0.0 109.232 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 186' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.13 -40.48 32.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.4 1.063 . . . . 0.0 110.288 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 187' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 183' ' ' LYS . . . -58.75 -37.43 76.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.31 -3.67 34.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.319 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 60.58 39.84 97.04 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.557 1.161 . . . . 0.0 111.034 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 190' ' ' HIS . . . . . 0.621 ' CG ' ' O ' ' A' ' 190' ' ' HIS . 0.1 OUTLIER -150.04 102.58 3.12 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.549 0.793 . . . . 0.0 109.591 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 1.8 p -121.09 -54.86 2.0 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 110.439 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 192' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 193' ' ' SER . 5.1 t-20 -61.37 -22.3 64.82 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.475 1.11 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 193' ' ' SER . . . . . 0.495 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER -49.27 178.21 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.972 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . 0.495 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.2 Cg_endo -75.0 -167.73 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.441 1.759 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 195' ' ' LEU . . . . . 0.449 ' HG ' ' CD2' ' A' ' 199' ' ' LEU . 9.9 tp -85.04 -50.59 7.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.428 1.08 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -44.83 -34.96 4.16 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.452 1.095 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 197' ' ' ASP . . . . . 0.503 ' HB3' ' CE1' ' A' ' 190' ' ' HIS . 0.2 OUTLIER -69.16 -39.74 78.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.746 . . . . 0.0 109.325 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 198' ' ' MET . . . . . 0.448 ' N ' ' O ' ' A' ' 195' ' ' LEU . 72.5 mtp -66.23 -35.22 79.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 199' ' ' LEU . . . . . 0.449 ' CD2' ' HG ' ' A' ' 195' ' ' LEU . 4.0 mm? -74.11 -20.49 60.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.0 -17.26 33.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -90.85 -34.59 15.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.163 . . . . 0.0 109.209 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 202' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 203' ' ' GLN . 0.0 OUTLIER -87.81 -19.09 27.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 108.266 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 203' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 202' ' ' CYS . 9.9 pt20 -37.41 -39.47 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.277 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 5.9 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.405 -179.963 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.472 ' CE ' ' CD2' ' A' ' 20' ' ' LEU . 1.6 ttt . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.555 0.217 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.8 pm0 -80.08 154.97 27.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 110.32 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.5 tpt -45.41 -34.21 2.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.5 ttpt -59.3 -43.1 92.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -55.97 -56.57 19.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.472 ' CD2' ' CE ' ' A' ' 15' ' ' MET . 37.4 mt -55.09 -41.93 72.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.262 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -58.0 -57.06 14.47 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.507 1.13 . . . . 0.0 110.287 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.67 -47.88 76.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.455 ' HA ' ' CG ' ' A' ' 26' ' ' GLU . 68.3 mt -52.14 -49.95 37.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.484 ' HG3' ' CE2' ' A' ' 61' ' ' TYR . 0.0 OUTLIER -50.21 -34.91 24.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -70.71 -72.12 0.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.162 . . . . 0.0 110.222 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.455 ' CG ' ' HA ' ' A' ' 23' ' ' ILE . 8.4 pt-20 -44.23 -26.84 0.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 30' ' ' ALA . 34.9 t -75.55 -49.71 26.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.3 m -44.55 -41.86 6.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 110.017 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -60.04 -37.31 79.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 110.315 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 27' ' ' VAL . . . -44.91 166.76 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.23 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -109.33 170.0 5.85 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 115.79 4.39 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.505 1.792 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.65 59.12 11.37 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.496 1.122 . . . . 0.0 110.979 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -139.56 158.95 67.34 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.497 0.763 . . . . 0.0 110.008 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 48.57 2.06 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.528 1.804 . . . . 0.0 110.94 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.7 tp60 -121.85 -52.49 2.0 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.409 ' N ' ' HB2' ' A' ' 30' ' ' ALA . 1.7 t80 -60.62 -60.63 3.49 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.77 -49.1 63.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -49.4 -46.39 47.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.274 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.454 ' CG2' ' OE1' ' A' ' 26' ' ' GLU . 3.6 m -57.72 -31.19 66.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.422 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.448 HG23 ' CD2' ' A' ' 118' ' ' LEU . 15.5 mm -64.66 -53.06 46.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -29.68 69.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.595 1.184 . . . . 0.0 110.331 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.54 -43.24 85.68 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.09 -29.82 64.49 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.2 t -71.72 -42.54 70.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -78.33 -9.29 59.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 110.29 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.443 ' CA ' ' OE1' ' A' ' 47' ' ' GLN . 0.1 OUTLIER -80.64 -70.35 0.53 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 110.364 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.433 ' O ' ' CB ' ' A' ' 49' ' ' ASP . 14.2 p90 -114.18 -30.61 6.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 111.043 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.433 ' CB ' ' O ' ' A' ' 48' ' ' PHE . 2.4 m-20 77.56 94.54 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 133.35 16.66 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.537 1.809 . . . . 0.0 111.064 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.1 p -66.47 -174.94 0.32 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.539 1.149 . . . . 0.0 110.483 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.5 ' HB3' ' CZ ' ' A' ' 113' ' ' TYR . . . -61.33 -41.64 97.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -63.08 -62.64 1.57 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -46.85 -40.49 14.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.233 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.541 ' CD1' ' CG ' ' A' ' 117' ' ' TRP . 12.2 mt -61.43 -41.76 97.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.365 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.05 -54.57 33.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.264 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -64.73 -47.02 79.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.336 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.546 HD23 ' CH2' ' A' ' 117' ' ' TRP . 17.8 tp -51.86 -31.68 28.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.463 HD11 ' CB ' ' A' ' 63' ' ' CYS . 33.4 tp -67.03 -58.12 5.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.65 -10.34 26.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.598 1.186 . . . . 0.0 110.372 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.484 ' CE2' ' HG3' ' A' ' 24' ' ' LYS . 1.4 t80 -78.13 -55.22 5.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.085 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 19.7 mt -106.36 -62.2 1.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.532 ' SG ' ' CZ ' ' A' ' 121' ' ' PHE . 1.4 m -46.26 112.12 0.45 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.429 1.081 . . . . 0.0 108.295 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.52 -179.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.048 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.1 t -59.57 -63.62 1.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.029 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.0 tp -56.78 -55.19 37.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.479 HG13 ' CB ' ' A' ' 63' ' ' CYS . 2.3 t -46.4 -46.16 6.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.46 -46.7 70.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.4 t -60.23 -60.79 3.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 110.025 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.451 ' O ' ' NE2' ' A' ' 74' ' ' GLN . 2.6 mt -46.82 -44.98 19.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.163 . . . . 0.0 109.343 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.567 ' CE1' ' HB3' ' A' ' 120' ' ' ALA . 5.8 t-80 -62.25 -48.53 79.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.577 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.87 -40.13 75.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.651 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.22 -62.11 2.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 110.34 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 70' ' ' LEU . 1.6 mp0 -55.25 -19.06 7.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.494 ' CD1' ' CD1' ' A' ' 79' ' ' ILE . 0.3 OUTLIER -77.09 -57.15 4.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -48.4 -45.9 36.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.7 t -67.13 -34.54 77.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.007 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.508 ' CD2' ' O ' ' A' ' 116' ' ' LEU . 1.2 tp -58.09 -60.62 3.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.171 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.494 ' CD1' ' CD1' ' A' ' 75' ' ' LEU . 2.8 mp -48.05 -47.98 12.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.451 ' O ' ' CB ' ' A' ' 84' ' ' THR . 29.5 t -50.01 -30.54 10.84 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.549 1.156 . . . . 0.0 109.987 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -71.91 -48.71 43.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.438 ' CB ' HD13 ' A' ' 87' ' ' ILE . . . -57.78 -60.52 3.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.401 ' CG ' ' HA ' ' A' ' 80' ' ' SER . 0.0 OUTLIER -53.58 -43.0 68.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 110.301 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.451 ' CB ' ' O ' ' A' ' 80' ' ' SER . 2.1 m -57.76 -46.45 84.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.446 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.03 -0.97 20.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.36 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 62.38 75.58 0.31 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.426 1.078 . . . . 0.0 110.981 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.452 ' HB ' ' CB ' ' A' ' 90' ' ' TYR . 19.0 mt -40.95 155.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.531 0.783 . . . . 0.0 109.324 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 87' ' ' ILE . 0.0 OUTLIER -37.71 -70.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.4 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.408 ' H ' ' CG2' ' A' ' 88' ' ' THR . . . -140.52 60.97 0.56 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.467 1.104 . . . . 0.0 111.041 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.452 ' CB ' ' HB ' ' A' ' 87' ' ' ILE . 2.3 t80 -79.27 137.69 37.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 0.78 . . . . 0.0 111.01 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -86.47 125.1 68.58 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 0.0 109.24 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.447 1.762 . . . . 0.0 111.016 179.954 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.878 0 N-CA-C 110.984 -0.429 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.477 HD23 ' CD2' ' A' ' 113' ' ' TYR . 6.4 tp -50.89 -36.98 40.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.445 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 10.9 ptt85 -58.61 -33.72 70.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.6 t -79.61 -32.51 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.73 -54.78 9.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 110.287 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.554 ' HB1' ' CD2' ' A' ' 113' ' ' TYR . . . -49.17 -43.31 41.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 98' ' ' ARG . 90.5 m-20 -51.27 -25.57 5.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -79.68 131.7 63.57 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -23.74 13.48 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.461 1.769 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -59.61 -28.5 67.24 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.55 1.156 . . . . 0.0 110.339 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 17.9 mm100 -96.29 50.99 1.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.71 -45.9 49.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.28 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -56.23 -55.74 27.85 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.61 -41.95 98.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 0.788 . . . . 0.0 109.329 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 11.8 ttt-85 -50.1 -36.69 30.56 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.11 . . . . 0.0 110.299 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.44 -53.68 10.1 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.518 1.136 . . . . 0.0 110.311 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -53.07 -36.32 60.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.168 . . . . 0.0 110.271 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.554 ' CD2' ' HB1' ' A' ' 101' ' ' ALA . 4.5 t80 -65.8 -46.09 79.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.988 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -53.41 -49.47 67.21 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.46 1.1 . . . . 0.0 110.3 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.07 -30.95 67.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.34 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.508 ' O ' ' CD2' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -65.2 -39.84 93.38 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.443 1.089 . . . . 0.0 109.307 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.546 ' CH2' HD23 ' A' ' 58' ' ' LEU . 47.7 t90 -63.5 -63.52 1.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 108.004 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.448 ' CD2' HG23 ' A' ' 41' ' ' ILE . 80.4 mt -50.93 -27.23 7.13 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.45 -62.63 1.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.41 1.068 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.567 ' HB3' ' CE1' ' A' ' 71' ' ' HIS . . . -57.74 -26.36 61.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.532 ' CZ ' ' SG ' ' A' ' 63' ' ' CYS . 0.8 OUTLIER -71.88 -51.02 24.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -74.89 -2.59 27.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.344 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -83.93 -3.0 57.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 64.1 mt -73.06 157.73 88.08 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.584 1.177 . . . . 0.0 109.328 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.197 0 O-C-N 124.508 1.794 . . . . 0.0 111.039 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.904 0 N-CA-C 110.997 -0.424 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.3 -34.2 65.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.983 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.486 ' HA ' ' CD1' ' A' ' 136' ' ' ILE . 21.9 p-90 -72.41 -13.66 61.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 108.062 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.17 -12.89 31.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.443 1.089 . . . . 0.0 109.279 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 29.2 t -134.82 36.87 3.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.98 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.486 ' CD1' ' HA ' ' A' ' 133' ' ' TRP . 54.5 mt -117.02 118.03 57.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.352 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.578 ' O ' ' CE1' ' A' ' 147' ' ' PHE . 0.2 OUTLIER -136.97 151.36 48.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.573 1.17 . . . . 0.0 109.277 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . 0.56 ' HG3' ' CD2' ' A' ' 144' ' ' TYR . 0.0 OUTLIER -65.76 117.45 8.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.174 . . . . 0.0 110.295 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . 0.428 ' O ' ' NE2' ' A' ' 138' ' ' GLN . . . -71.21 149.8 46.29 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.538 1.149 . . . . 0.0 111.042 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.49 ' N ' ' ND2' ' A' ' 178' ' ' ASN . 1.7 tm? -61.53 -40.6 95.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.551 0.794 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -111.2 39.78 2.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -125.5 159.52 60.05 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 110.268 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 105.12 2.02 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.483 1.781 . . . . 0.0 111.045 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' TYR . . . . . 0.56 ' CD2' ' HG3' ' A' ' 138' ' ' GLN . 5.0 t80 -55.74 -58.67 6.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' HIS . . . . . 0.498 ' CD2' ' C ' ' A' ' 145' ' ' HIS . 0.2 OUTLIER -49.05 -51.44 31.21 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.498 1.124 . . . . 0.0 109.681 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -58.09 -39.78 79.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . 0.578 ' CE1' ' O ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -62.75 -43.61 98.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.613 1.195 . . . . 0.0 110.947 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 46.3 t -60.29 -51.06 77.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -53.2 -54.39 36.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 110.258 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 7.8 ttt-85 -59.34 -41.13 88.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 110.34 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . 0.491 ' O ' ' CD1' ' A' ' 155' ' ' LEU . 1.0 OUTLIER -50.89 -38.23 48.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -67.69 -45.82 74.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . 0.429 ' C ' ' N ' ' A' ' 155' ' ' LEU . 1.5 mp -62.83 -69.63 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.334 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -41.94 -28.97 0.19 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.52 1.138 . . . . 0.0 109.341 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 0.491 ' CD1' ' O ' ' A' ' 151' ' ' LEU . 6.9 mt -73.68 -59.23 2.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -46.11 -24.79 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . 0.417 ' N ' ' C ' ' A' ' 155' ' ' LEU . 3.1 m-80 -78.12 -42.77 30.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 155' ' ' LEU . . . -125.85 50.33 0.88 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.512 1.132 . . . . 0.0 111.013 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 155' ' ' LEU . 0.2 OUTLIER -156.52 101.94 2.02 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.452 0.736 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 157.88 42.6 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.417 1.746 . . . . 0.0 110.956 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 163' ' ' THR . 0.0 OUTLIER -60.5 -53.94 51.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.34 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 161' ' ' GLU . . . -37.64 -30.41 0.06 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.433 1.083 . . . . 0.0 110.916 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 161' ' ' GLU . 2.0 m -96.31 145.27 29.27 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.77 . . . . 0.0 110.41 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 164' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 163' ' ' THR . 18.1 Cg_endo -75.03 130.95 13.71 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.522 1.801 . . . . 0.0 110.928 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 1.2 tmpt? -111.03 -29.91 7.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . 0.513 ' N ' ' CD ' ' A' ' 167' ' ' PRO . 0.3 OUTLIER -47.26 -52.09 37.76 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 167' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 166' ' ' ASP . 18.4 Cg_endo -74.99 -48.02 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.491 1.785 . . . . 0.0 110.987 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 168' ' ' ILE . . . . . 0.467 ' CG2' HD22 ' A' ' 155' ' ' LEU . 0.3 OUTLIER -51.12 -41.84 24.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 169' ' ' LEU . . . . . 0.483 ' CD1' ' HB3' ' A' ' 151' ' ' LEU . 13.6 tp -64.3 -55.3 22.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 109.348 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 77.6 mtm-85 -59.1 -15.35 13.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.591 1.182 . . . . 0.0 110.252 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.63 -48.66 8.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 110.01 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.448 ' CD1' HD22 ' A' ' 151' ' ' LEU . 5.0 mt -68.72 -16.51 63.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -86.08 -50.21 7.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 174' ' ' TYR . . . . . 0.413 ' O ' ' N ' ' A' ' 177' ' ' ALA . 6.1 t80 -96.02 -69.54 0.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 1.2 t -38.91 -38.04 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.421 1.076 . . . . 0.0 110.096 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -110.4 54.83 0.66 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.505 1.128 . . . . 0.0 109.25 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 177' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 174' ' ' TYR . . . -120.3 148.32 43.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.218 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 178' ' ' ASN . . . . . 0.49 ' ND2' ' N ' ' A' ' 140' ' ' LEU . 0.9 OUTLIER -54.31 -171.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -75.62 -57.27 3.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -62.2 -14.98 43.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.269 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 181' ' ' CYS . . . . . . . . . . . . . 64.0 m -78.92 -61.1 2.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 108.342 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . 0.418 ' O ' ' NE2' ' A' ' 186' ' ' GLN . 54.6 mt-30 -54.19 -37.21 64.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.295 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -31.16 70.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . 0.475 ' CD2' ' C ' ' A' ' 184' ' ' LEU . 2.0 tt -67.41 -52.43 39.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 185' ' ' LEU . . . . . 0.536 ' CD2' ' NE2' ' A' ' 190' ' ' HIS . 12.7 mt -59.43 -50.78 72.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 186' ' ' GLN . . . . . 0.418 ' NE2' ' O ' ' A' ' 182' ' ' GLN . 0.4 OUTLIER -56.71 -53.07 61.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.319 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -51.88 -39.82 59.62 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.452 1.095 . . . . 0.0 109.225 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.55 -14.09 60.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 68.91 16.59 70.59 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.523 1.139 . . . . 0.0 111.032 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 190' ' ' HIS . . . . . 0.573 ' CG ' ' O ' ' A' ' 190' ' ' HIS . 0.1 OUTLIER -126.53 106.41 9.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 0.758 . . . . 0.0 109.564 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 1.4 p -121.35 -51.26 2.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.351 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -88.36 49.16 1.74 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.265 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 193' ' ' SER . . . . . 0.516 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER -117.78 179.02 0.89 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.581 1.175 . . . . 0.0 109.981 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . 0.516 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.3 Cg_endo -74.99 164.62 33.02 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.522 1.801 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 195' ' ' LEU . . . . . 0.474 ' HG ' ' CD2' ' A' ' 199' ' ' LEU . 7.3 tp -60.43 -42.69 96.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.226 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -45.03 -44.23 8.99 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.522 1.139 . . . . 0.0 111.063 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 197' ' ' ASP . . . . . 0.536 ' HB3' ' CE1' ' A' ' 190' ' ' HIS . 0.1 OUTLIER -71.8 -31.2 66.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 0.0 109.317 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 198' ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' ' 195' ' ' LEU . 36.4 mmm -68.42 -35.9 78.31 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 110.972 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 199' ' ' LEU . . . . . 0.474 ' CD2' ' HG ' ' A' ' 195' ' ' LEU . 3.8 mm? -78.37 -19.11 54.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.32 -20.12 32.58 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.453 1.096 . . . . 0.0 110.257 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -85.63 -45.52 11.64 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.567 1.167 . . . . 0.0 109.282 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 202' ' ' CYS . . . . . . . . . . . . . 16.9 p -75.85 -18.98 59.24 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.524 1.14 . . . . 0.0 108.316 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 203' ' ' GLN . . . . . 0.433 ' CG ' ' N ' ' A' ' 204' ' ' THR . 14.4 pt20 -39.42 -42.79 1.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.31 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 204' ' ' THR . . . . . 0.433 ' N ' ' CG ' ' A' ' 203' ' ' GLN . 3.2 t . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.417 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.562 ' HG3' ' CE1' ' A' ' 48' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.453 0.168 . . . . 0.0 111.034 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.6 pm0 -79.92 155.24 27.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.257 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.76 -27.38 1.98 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 111.004 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -40.28 94.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -56.26 -55.87 27.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.148 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.575 ' HB3' ' CE2' ' A' ' 61' ' ' TYR . 4.3 mt -57.37 -39.37 75.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.399 1.062 . . . . 0.0 109.288 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.62 -48.39 79.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.332 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.62 -43.0 99.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.566 1.166 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.438 ' O ' ' CG2' ' A' ' 27' ' ' VAL . 18.3 mt -57.41 -40.62 75.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.267 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -32.22 71.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.571 1.17 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.7 tm0? -71.22 -59.46 2.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 110.31 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.433 ' CG ' ' HA ' ' A' ' 23' ' ' ILE . 4.1 pt-20 -60.6 -14.6 21.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 110.255 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.438 ' CG2' ' O ' ' A' ' 23' ' ' ILE . 20.0 t -91.4 -26.99 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.247 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.5 t -70.8 -29.32 65.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.09 . . . . 0.0 109.969 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.33 -22.76 51.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 110.333 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.471 ' CB ' ' HB3' ' A' ' 36' ' ' GLN . . . -61.73 167.48 3.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -113.13 161.89 24.66 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.259 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 112.07 3.47 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.467 1.772 . . . . 0.0 111.045 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.7 40.31 15.33 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.8 p -129.53 152.52 79.8 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.771 . . . . 0.0 109.982 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 51.31 2.72 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.49 1.784 . . . . 0.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.471 ' HB3' ' CB ' ' A' ' 30' ' ' ALA . 3.6 tp60 -121.16 -58.06 1.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 110.286 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.464 ' CD1' ' N ' ' A' ' 38' ' ' MET . 1.4 t80 -57.0 -54.34 47.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.414 1.071 . . . . 0.0 110.953 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.464 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 10.4 tpt -57.72 -54.15 50.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -46.86 -41.07 15.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.289 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.64 -37.21 80.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 110.395 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.477 ' CG2' ' CD2' ' A' ' 118' ' ' LEU . 7.2 mm -60.83 -44.17 97.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -64.75 -31.78 73.16 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.46 1.1 . . . . 0.0 110.285 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.85 -41.11 97.88 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.486 1.116 . . . . 0.0 109.248 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.1 -42.83 65.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.342 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.41 HG11 ' NE2' ' A' ' 114' ' ' GLN . 0.9 OUTLIER -67.23 -18.35 23.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -102.61 -5.61 23.68 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 0.0 110.34 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -86.24 -70.43 0.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.562 ' CE1' ' HG3' ' A' ' 15' ' ' MET . 0.3 OUTLIER -121.95 -4.78 9.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.998 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.7 t0 56.68 96.49 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.117 . . . . 0.0 109.24 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.405 ' CD ' ' HA ' ' A' ' 45' ' ' VAL . 18.3 Cg_endo -74.98 128.78 11.77 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.459 1.768 . . . . 0.0 110.93 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.9 p -56.96 -171.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.457 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.37 -51.97 25.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.585 1.178 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.454 ' CD ' ' OD1' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -50.48 -45.88 56.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.454 ' OD1' ' CD ' ' A' ' 53' ' ' LYS . 2.1 m-20 -58.21 -51.04 71.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.436 ' CD1' ' CG ' ' A' ' 117' ' ' TRP . 22.1 mt -53.14 -45.96 68.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -48.82 -48.19 41.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.238 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.4 ' C ' ' N ' ' A' ' 59' ' ' LEU . 5.1 t70 -70.62 -51.29 29.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 22.1 tp -50.19 -23.0 1.93 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.437 1.086 . . . . 0.0 109.275 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.4 ' N ' ' C ' ' A' ' 57' ' ' ASP . 53.9 tp -78.1 -51.71 9.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.613 1.195 . . . . 0.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -89.77 23.47 2.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.366 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.575 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 48.3 t80 -120.68 -41.53 2.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 110.969 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.5 mt -91.75 -51.78 5.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.328 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 95.8 m -93.01 -173.37 3.26 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.422 1.076 . . . . 0.0 108.334 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.85 179.27 4.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.973 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.3 t -60.37 -52.4 65.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 110.048 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 17.8 tp -44.55 -64.8 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.6 t -50.5 -45.07 25.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.239 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.43 -38.77 59.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.369 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.2 m -75.7 -45.26 37.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 110.05 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.413 ' O ' ' CB ' ' A' ' 73' ' ' GLN . 14.5 mt -53.67 -57.61 10.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.416 1.073 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.415 ' HA ' ' NE2' ' A' ' 74' ' ' GLN . 0.4 OUTLIER -52.15 -45.92 65.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.591 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -58.38 -17.17 18.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.577 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.413 ' CB ' ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -77.3 -67.22 0.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.467 ' OE1' ' CB ' ' A' ' 123' ' ' ALA . 0.3 OUTLIER -61.89 -27.86 69.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.423 1.077 . . . . 0.0 110.304 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.474 HD22 ' CD2' ' A' ' 116' ' ' LEU . 1.7 tm? -73.92 -53.14 10.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.387 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -45.32 -46.96 13.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.354 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.7 t -60.64 -43.0 98.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.989 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.467 HD21 ' CB ' ' A' ' 116' ' ' LEU . 13.3 tp -58.55 -39.71 81.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.455 HG21 ' CD2' ' A' ' 97' ' ' LEU . 50.6 mm -55.16 -55.26 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.75 -27.45 12.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.585 1.178 . . . . 0.0 109.995 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -66.79 -42.03 86.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.3 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.423 ' CB ' HD13 ' A' ' 87' ' ' ILE . . . -63.73 -55.73 21.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -58.8 -41.63 87.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.344 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.8 m -62.19 -45.63 92.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 110.391 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.5 -1.84 23.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.1 . . . . 0.0 110.316 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 64.6 84.37 0.08 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.483 1.114 . . . . 0.0 110.978 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.487 ' HB ' ' CB ' ' A' ' 90' ' ' TYR . 12.5 mt -51.28 166.34 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.533 0.784 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.483 ' N ' ' CG2' ' A' ' 87' ' ' ILE . 10.2 t -86.08 -49.46 7.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 0.0 110.388 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -119.82 66.48 0.41 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.564 1.165 . . . . 0.0 110.964 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.552 ' CD1' ' OE1' ' A' ' 100' ' ' GLN . 83.6 t80 -128.8 141.2 51.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.423 0.719 . . . . 0.0 110.951 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.414 ' O ' ' NE2' ' A' ' 100' ' ' GLN . 0.5 OUTLIER -112.95 99.3 48.14 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.208 0 O-C-N 124.517 1.798 . . . . 0.0 111.002 -179.999 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.833 0 N-CA-C 111.034 -0.41 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.455 ' CD2' HG21 ' A' ' 79' ' ' ILE . 18.4 tp -120.01 -47.09 2.4 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.41 -32.78 68.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.328 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 82.1 t -60.36 -39.78 81.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.441 1.088 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.552 ' OE1' ' CD1' ' A' ' 90' ' ' TYR . 41.6 mt-30 -72.59 -36.41 68.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.52 -16.91 58.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -71.1 -25.64 62.69 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -103.61 134.42 19.75 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.4 ' C ' ' N ' ' A' ' 106' ' ' GLN . 18.2 Cg_endo -75.1 -14.94 20.78 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.579 1.831 . . . . 0.0 110.968 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -41.66 -30.08 0.21 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.464 1.103 . . . . 0.0 110.234 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.4 ' N ' ' C ' ' A' ' 104' ' ' PRO . 1.8 pt20 -123.25 66.33 0.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.334 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.43 -20.55 2.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.249 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -58.52 -50.05 70.8 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.522 1.139 . . . . 0.0 111.022 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.418 HD23 ' CG ' ' A' ' 112' ' ' GLU . 1.3 mt -77.16 -41.4 41.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 0.739 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.7 ttm-85 -46.33 -43.24 15.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.584 1.178 . . . . 0.0 110.368 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 114' ' ' GLN . 0.0 OUTLIER -76.14 -63.08 1.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.357 179.899 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.418 ' CG ' HD23 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -42.5 -26.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.084 . . . . 0.0 110.296 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.415 ' N ' ' C ' ' A' ' 111' ' ' ARG . 22.5 t80 -79.2 -43.27 24.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.505 ' HG3' ' N ' ' A' ' 115' ' ' GLN . 0.0 OUTLIER -56.29 -26.93 53.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.244 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.505 ' N ' ' HG3' ' A' ' 114' ' ' GLN . 0.2 OUTLIER -88.11 -43.75 11.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.41 1.069 . . . . 0.0 110.267 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.474 ' CD2' HD22 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -60.43 -35.05 74.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.612 ' CH2' ' CE1' ' A' ' 121' ' ' PHE . 81.1 t90 -71.67 -55.78 7.06 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.477 ' CD2' ' CG2' ' A' ' 41' ' ' ILE . 85.0 mt -54.31 -22.19 11.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -70.31 -52.0 26.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.411 ' HB2' ' CE1' ' A' ' 71' ' ' HIS . . . -63.9 -33.96 76.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.251 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.612 ' CE1' ' CH2' ' A' ' 117' ' ' TRP . 0.8 OUTLIER -65.97 -31.84 72.98 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.534 1.146 . . . . 0.0 110.954 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -96.53 0.26 49.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.467 ' CB ' ' OE1' ' A' ' 74' ' ' GLN . . . -91.01 0.61 57.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 109.353 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 56.5 mt -75.06 155.39 86.44 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.236 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.174 0 O-C-N 124.43 1.752 . . . . 0.0 111.061 179.969 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.845 0 N-CA-C 110.922 -0.453 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 20.0 m -73.1 -36.8 66.84 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.452 1.095 . . . . 0.0 110.011 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.569 ' CD1' HD22 ' A' ' 155' ' ' LEU . 15.8 p-90 -70.32 -17.42 63.07 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.09 -11.0 34.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 97.2 p -123.06 21.4 9.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.055 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.421 ' CD1' ' HA ' ' A' ' 133' ' ' TRP . 28.0 mt -115.0 117.87 57.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.473 ' CB ' ' HB3' ' A' ' 176' ' ' ASN . 0.2 OUTLIER -137.59 162.08 34.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . 0.465 ' NE2' ' O ' ' A' ' 139' ' ' GLY . 0.2 OUTLIER -85.46 119.21 25.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.375 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . 0.465 ' O ' ' NE2' ' A' ' 138' ' ' GLN . . . -76.02 143.16 29.49 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -50.42 -39.67 48.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 0.761 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -111.7 40.41 2.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.427 1.08 . . . . 0.0 110.31 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.89 170.46 7.24 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.288 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 127.74 10.96 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.476 1.777 . . . . 0.0 110.991 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' TYR . . . . . 0.59 ' CE2' ' SG ' ' A' ' 181' ' ' CYS . 2.4 t80 -76.48 -57.47 3.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 111.026 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' HIS . . . . . 0.439 ' CD2' ' C ' ' A' ' 145' ' ' HIS . 0.5 OUTLIER -59.13 -57.85 11.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.632 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -47.86 -46.64 31.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . 0.565 ' CZ ' HD12 ' A' ' 151' ' ' LEU . 3.2 t80 -56.48 -43.14 79.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 111.079 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 48.7 t -63.34 -58.17 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -46.79 -43.95 18.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 153' ' ' ILE . 95.5 mtt180 -67.64 -58.59 4.4 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.537 1.148 . . . . 0.0 110.326 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . 0.565 HD12 ' CZ ' ' A' ' 147' ' ' PHE . 0.4 OUTLIER -40.65 -34.68 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . 0.476 ' ND2' ' HZ2' ' A' ' 165' ' ' LYS . 15.8 t-20 -71.29 -51.71 22.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . 0.427 ' N ' ' O ' ' A' ' 150' ' ' ARG . 11.5 mt -59.2 -64.49 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.499 1.125 . . . . 0.0 109.327 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -45.69 -29.18 1.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 0.569 HD22 ' CD1' ' A' ' 133' ' ' TRP . 3.5 mt -72.53 -59.7 2.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -51.39 -21.43 2.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -74.05 -28.33 61.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.103 . . . . 0.0 109.34 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 155' ' ' LEU . . . -132.06 39.98 1.68 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.571 1.169 . . . . 0.0 110.991 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.427 ' CD2' HD21 ' A' ' 155' ' ' LEU . 0.7 OUTLIER -131.76 119.26 17.01 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.467 0.745 . . . . 0.0 109.272 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -168.86 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.526 1.803 . . . . 0.0 111.046 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -102.0 -7.98 21.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.296 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -109.15 32.42 6.88 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.408 1.068 . . . . 0.0 111.004 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 1.7 m -146.08 143.53 19.58 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.51 0.771 . . . . 0.0 110.445 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 135.28 18.87 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.465 1.771 . . . . 0.0 111.006 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 165' ' ' LYS . . . . . 0.476 ' HZ2' ' ND2' ' A' ' 152' ' ' ASN . 0.0 OUTLIER -119.78 -40.2 2.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.348 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . 0.528 ' CB ' ' HD3' ' A' ' 167' ' ' PRO . 0.2 OUTLIER -39.5 -53.92 4.03 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 167' ' ' PRO . . . . . 0.528 ' HD3' ' CB ' ' A' ' 166' ' ' ASP . 18.4 Cg_endo -75.02 -49.55 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.43 1.753 . . . . 0.0 111.036 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 168' ' ' ILE . . . . . 0.411 HG21 ' N ' ' A' ' 169' ' ' LEU . 0.0 OUTLIER -46.05 -38.36 3.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.267 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 169' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 172' ' ' LEU . 14.0 tp -64.65 -63.84 1.02 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . 0.449 ' NH2' ' O ' ' A' ' 192' ' ' ASN . 27.2 mtp180 -49.42 -34.08 15.62 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.69 -28.47 64.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.024 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.47 ' HB3' ' CD1' ' A' ' 151' ' ' LEU . 18.2 mt -81.64 -50.62 9.11 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.476 1.11 . . . . 0.0 109.351 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -63.41 -14.93 55.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 174' ' ' TYR . . . . . 0.422 ' CB ' ' O ' ' A' ' 170' ' ' ARG . 71.6 t80 -100.4 -69.36 0.77 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 65.7 m -51.05 -40.82 59.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.044 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 176' ' ' ASN . . . . . 0.473 ' HB3' ' CB ' ' A' ' 137' ' ' LEU . 0.6 OUTLIER -99.3 55.72 1.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.082 . . . . 0.0 109.306 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -129.43 122.81 30.14 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 178' ' ' ASN . . . . . 0.431 ' OD1' ' N ' ' A' ' 180' ' ' GLU . 4.2 p30 -46.58 171.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 181' ' ' CYS . 0.0 OUTLIER -51.62 -77.33 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.48 1.112 . . . . 0.0 109.243 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . 0.431 ' N ' ' OD1' ' A' ' 178' ' ' ASN . 0.1 OUTLIER -36.96 -32.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.078 . . . . 0.0 110.264 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 181' ' ' CYS . . . . . 0.59 ' SG ' ' CE2' ' A' ' 144' ' ' TYR . 0.5 OUTLIER -64.03 -68.03 0.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 108.333 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . 0.449 ' O ' ' NE2' ' A' ' 186' ' ' GLN . 18.1 mt-30 -53.72 -33.23 54.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.452 1.095 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 183' ' ' LYS . . . . . 0.464 ' O ' ' CB ' ' A' ' 187' ' ' ALA . 4.1 ttpp -71.68 -19.9 62.01 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.445 1.091 . . . . 0.0 109.326 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . 0.415 ' CD2' ' HB3' ' A' ' 201' ' ' ALA . 5.2 tt -80.46 -60.29 2.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 185' ' ' LEU . . . . . 0.541 ' CD2' ' CE1' ' A' ' 190' ' ' HIS . 9.1 mt -52.17 -55.41 21.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.16 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 186' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 182' ' ' GLN . 1.0 OUTLIER -54.74 -55.04 34.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 187' ' ' ALA . . . . . 0.464 ' CB ' ' O ' ' A' ' 183' ' ' LYS . . . -49.28 -36.62 21.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.426 1.079 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.24 -39.03 65.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.596 1.185 . . . . 0.0 110.33 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 77.72 63.21 2.24 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.485 1.115 . . . . 0.0 111.031 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 190' ' ' HIS . . . . . 0.541 ' CE1' ' CD2' ' A' ' 185' ' ' LEU . 7.5 p80 -155.46 32.85 0.37 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.754 . . . . 0.0 109.533 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 2.0 p -58.6 -51.52 69.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.35 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 192' ' ' ASN . . . . . 0.449 ' O ' ' NH2' ' A' ' 170' ' ' ARG . 7.7 t-20 -62.36 -34.23 76.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 193' ' ' SER . . . . . 0.449 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.3 OUTLIER -48.51 175.08 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.039 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . 0.449 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.2 Cg_endo -74.99 -168.71 0.54 Allowed 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.534 1.808 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 195' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 198' ' ' MET . 4.2 tp -83.83 -36.11 23.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -47.87 -43.87 23.91 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.489 1.118 . . . . 0.0 110.926 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 197' ' ' ASP . . . . . 0.422 ' HB3' ' ND1' ' A' ' 190' ' ' HIS . 0.5 OUTLIER -63.31 -28.04 69.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 0.769 . . . . 0.0 109.301 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 198' ' ' MET . . . . . 0.43 ' N ' ' O ' ' A' ' 195' ' ' LEU . 41.8 ttm -64.39 -49.57 71.07 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.461 1.101 . . . . 0.0 111.056 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 199' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -63.39 -23.55 67.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.169 . . . . 0.0 109.332 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.16 -14.46 46.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 201' ' ' ALA . . . . . 0.415 ' HB3' ' CD2' ' A' ' 184' ' ' LEU . . . -94.78 -34.76 12.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 202' ' ' CYS . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 144' ' ' TYR . 12.5 p -83.73 -25.37 30.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 108.313 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 203' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 202' ' ' CYS . 8.4 pt20 -35.02 -35.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 204' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 202' ' ' CYS . 6.2 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.351 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.566 ' HE1' ' CE1' ' A' ' 48' ' ' PHE . 1.7 ttt . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.536 0.208 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 34.9 tp60 -84.87 131.21 34.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 110.271 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.79 -41.38 15.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.85 -31.87 29.57 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -61.73 -51.65 67.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.314 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.441 ' CD2' ' HE2' ' A' ' 15' ' ' MET . 11.9 mt -59.21 -33.36 70.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.69 -52.02 54.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.31 -44.86 95.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 56.1 mt -52.41 -54.85 13.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.8 tttm -49.44 -32.98 12.93 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.539 1.149 . . . . 0.0 109.209 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.87 -71.32 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.494 ' CD ' ' CG2' ' A' ' 40' ' ' THR . 9.2 pt-20 -46.67 -26.12 0.86 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 110.326 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.457 ' CG2' HG23 ' A' ' 40' ' ' THR . 18.6 t -81.59 -43.14 19.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.9 t -48.42 -32.64 7.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.008 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.21 -35.58 66.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.585 1.178 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.42 ' HB1' ' N ' ' A' ' 37' ' ' PHE . . . -44.77 166.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -105.13 162.62 19.19 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.203 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 108.09 2.64 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.422 1.748 . . . . 0.0 110.96 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 71.07 53.9 10.01 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.443 1.089 . . . . 0.0 110.976 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.3 m -137.97 158.8 70.63 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 0.0 109.973 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 49.14 2.17 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.453 1.765 . . . . 0.0 111.05 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.0 tp60 -121.48 -55.25 1.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.256 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.569 ' CE1' HD13 ' A' ' 41' ' ' ILE . 8.9 t80 -59.46 -50.47 73.8 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.587 1.18 . . . . 0.0 110.893 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.414 ' HE3' ' CD2' ' A' ' 118' ' ' LEU . 0.0 OUTLIER -52.4 -51.62 58.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 111.017 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -50.18 -48.38 54.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 110.271 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.494 ' CG2' ' CD ' ' A' ' 26' ' ' GLU . 86.5 m -52.0 -34.01 40.88 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.159 . . . . 0.0 110.363 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.569 HD13 ' CE1' ' A' ' 37' ' ' PHE . 2.8 mm -67.39 -47.71 80.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.58 1.175 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 40.0 mmm-85 -56.91 -32.79 66.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.17 -58.48 5.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.592 1.183 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.7 -37.14 67.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.4 t -71.12 -21.82 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.366 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -97.81 -0.58 44.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.269 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -94.34 -66.42 0.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.355 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.566 ' CE1' ' HE1' ' A' ' 15' ' ' MET . 7.8 p90 -116.19 -31.64 5.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.976 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.485 ' CB ' ' O ' ' A' ' 48' ' ' PHE . 2.6 t70 80.45 95.48 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.25 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 144.15 30.07 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.456 1.766 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.49 ' CG2' ' O ' ' A' ' 101' ' ' ALA . 1.4 m -93.22 -177.09 4.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.347 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.429 ' HB2' ' CZ ' ' A' ' 113' ' ' TYR . . . -49.86 -37.37 30.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.406 ' HD3' ' ND2' ' A' ' 102' ' ' ASN . 0.4 OUTLIER -68.4 -71.0 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.279 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.88 -37.33 3.83 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.449 1.093 . . . . 0.0 109.34 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.514 HD23 ' CD2' ' A' ' 117' ' ' TRP . 28.0 mt -68.37 -45.33 73.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.248 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 53' ' ' LYS . 15.8 tp60 -52.11 -51.24 59.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.424 1.078 . . . . 0.0 110.254 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.456 ' O ' ' CB ' ' A' ' 61' ' ' TYR . 32.9 t70 -68.34 -45.73 72.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 16.8 tp -56.76 -19.36 16.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 33.4 tp -82.04 -50.33 9.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.585 1.178 . . . . 0.0 109.252 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.15 20.12 3.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.331 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.456 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 26.3 t80 -120.19 -43.2 2.54 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.432 1.082 . . . . 0.0 110.944 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.3 mt -98.14 -65.45 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.208 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.482 ' HB3' ' CG1' ' A' ' 67' ' ' VAL . 10.3 m -61.59 -175.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 108.258 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.66 -179.12 3.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.099 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.14 -54.81 12.97 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.529 1.143 . . . . 0.0 110.058 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.6 tp -52.36 -52.74 51.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.416 1.073 . . . . 0.0 109.28 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.482 ' CG1' ' HB3' ' A' ' 63' ' ' CYS . 1.4 t -54.63 -52.51 40.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -44.77 -41.73 7.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.296 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.2 t -68.74 -46.64 68.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.579 1.174 . . . . 0.0 109.995 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 31.2 mt -54.49 -53.89 48.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.519 ' CE1' HD21 ' A' ' 75' ' ' LEU . 2.5 t60 -59.79 -45.71 91.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 109.607 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -49.04 -44.53 41.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.094 . . . . 0.0 109.608 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 15.9 tp60 -64.41 -37.4 87.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.277 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.62 -21.26 61.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.238 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.519 HD21 ' CE1' ' A' ' 71' ' ' HIS . 0.3 OUTLIER -83.68 -39.27 20.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.123 . . . . 0.0 109.26 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -60.2 -42.24 94.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.168 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.4 t -73.28 -45.79 53.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.573 1.17 . . . . 0.0 109.956 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.465 ' HB3' ' CD1' ' A' ' 116' ' ' LEU . 5.4 mp -55.28 -56.47 19.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.437 ' CG1' HD23 ' A' ' 97' ' ' LEU . 1.1 mp -50.14 -46.54 24.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.429 1.08 . . . . 0.0 109.276 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.0 t -50.98 -30.73 15.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.591 1.182 . . . . 0.0 110.007 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -71.34 -38.38 71.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 110.314 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.45 ' HB2' ' CG1' ' A' ' 87' ' ' ILE . . . -66.59 -60.48 2.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.453 ' CD ' ' CE2' ' A' ' 90' ' ' TYR . 0.3 OUTLIER -50.68 -32.96 20.8 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.102 . . . . 0.0 110.318 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.1 m -63.39 -43.94 96.15 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.44 1.087 . . . . 0.0 110.407 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.01 -6.17 51.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.193 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 83.51 -11.69 54.8 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.457 1.098 . . . . 0.0 111.044 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.473 ' CG2' ' N ' ' A' ' 88' ' ' THR . 44.1 mt 57.12 163.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.589 0.817 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.473 ' N ' ' CG2' ' A' ' 87' ' ' ILE . 1.2 t -51.54 -59.87 3.78 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.442 1.089 . . . . 0.0 110.372 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -148.77 56.7 0.48 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.552 1.157 . . . . 0.0 110.989 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.471 ' C ' ' CD1' ' A' ' 90' ' ' TYR . 1.9 t80 -79.84 148.13 31.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 0.757 . . . . 0.0 111.009 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -118.79 129.47 25.38 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.193 0 O-C-N 124.477 1.778 . . . . 0.0 110.949 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.454 -0.852 0 N-CA-C 111.015 -0.417 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.437 HD23 ' CG1' ' A' ' 79' ' ' ILE . 0.3 OUTLIER -50.82 -28.99 10.56 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -64.83 -15.0 61.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.248 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 54.7 t -91.88 -43.14 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.415 ' HA ' ' ND2' ' A' ' 103' ' ' ASN . 3.6 pt20 -75.23 -13.36 60.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.49 ' O ' ' CG2' ' A' ' 51' ' ' THR . . . -79.72 -18.09 52.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.429 ' HA ' ' CG2' ' A' ' 51' ' ' THR . 14.3 m-80 -91.2 -4.85 55.69 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.443 1.089 . . . . 0.0 109.255 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.415 ' ND2' ' HA ' ' A' ' 100' ' ' GLN . 3.6 m-20 -80.4 128.71 71.83 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -24.83 12.39 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.429 1.752 . . . . 0.0 110.942 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.78 -35.78 66.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -115.01 73.12 0.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.346 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.46 ' HA ' ' CD ' ' A' ' 110' ' ' ARG . 3.2 pt20 -73.39 -5.28 38.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.343 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -75.18 -38.56 39.39 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.506 1.129 . . . . 0.0 110.977 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.424 ' CD1' HG22 ' A' ' 87' ' ' ILE . 1.2 mt -84.8 -41.61 15.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 0.771 . . . . 0.0 109.354 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.46 ' CD ' ' HA ' ' A' ' 107' ' ' GLN . 1.6 ptm180 -53.77 -37.0 62.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.421 ' N ' ' CG ' ' A' ' 110' ' ' ARG . 0.0 OUTLIER -78.04 -53.87 6.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 113' ' ' TYR . 0.0 OUTLIER -53.65 -25.48 18.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 110.335 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.429 ' CZ ' ' HB2' ' A' ' 52' ' ' ALA . 2.5 t80 -80.97 -36.36 30.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 0.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.51 -45.68 93.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.267 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.02 -38.1 75.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' A' ' 78' ' ' LEU . 0.1 OUTLIER -67.68 -29.14 68.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.514 ' CD2' HD23 ' A' ' 55' ' ' LEU . 79.7 t90 -65.82 -49.55 67.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 108.029 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.44 ' CD2' ' CG2' ' A' ' 41' ' ' ILE . 83.4 mt -60.66 -28.47 68.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -59.99 -54.84 41.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.105 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.452 ' CB ' HD23 ' A' ' 75' ' ' LEU . . . -66.48 -34.47 78.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -66.26 -26.64 67.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 110.974 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -103.7 0.58 30.78 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -92.54 0.29 57.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.255 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 90.9 mt -65.07 150.0 96.02 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 109.347 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.131 0 O-C-N 124.53 1.805 . . . . 0.0 110.99 179.965 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.894 0 N-CA-C 110.956 -0.44 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.08 -22.65 60.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.007 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.445 ' HA ' ' CD1' ' A' ' 136' ' ' ILE . 38.6 p-90 -74.88 -20.01 59.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 108.035 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.32 -12.96 33.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.392 1.058 . . . . 0.0 109.309 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 5.3 t -126.14 31.0 5.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.01 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.445 ' CD1' ' HA ' ' A' ' 133' ' ' TRP . 23.3 mt -118.49 119.06 60.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.254 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.461 ' CB ' ' HB3' ' A' ' 176' ' ' ASN . 0.2 OUTLIER -136.73 137.7 40.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . 0.574 ' HG3' ' CD2' ' A' ' 144' ' ' TYR . 0.0 OUTLIER -55.95 141.51 39.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 110.336 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -102.83 123.75 7.94 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.427 1.079 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.403 ' HA ' ' ND2' ' A' ' 178' ' ' ASN . 0.0 OUTLIER -48.81 -44.45 39.2 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 0.74 . . . . 0.0 109.377 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -98.13 38.43 1.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 110.361 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -140.74 171.45 7.64 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 110.329 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.0 108.51 2.74 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.477 1.778 . . . . 0.0 110.97 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' TYR . . . . . 0.574 ' CD2' ' HG3' ' A' ' 138' ' ' GLN . 7.8 t80 -69.77 -43.72 71.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' HIS . . . . . 0.478 ' CD2' ' C ' ' A' ' 145' ' ' HIS . 0.2 OUTLIER -62.58 -58.68 6.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.58 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -54.56 -32.24 58.05 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.47 1.106 . . . . 0.0 109.343 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . 0.562 ' CE1' HD12 ' A' ' 151' ' ' LEU . 7.4 t80 -70.91 -32.9 69.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.971 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 75.4 t -68.0 -47.55 78.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -56.16 -44.74 79.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 110.264 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 153' ' ' ILE . 5.9 ttt180 -65.55 -55.33 18.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 110.299 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . 0.562 HD12 ' CE1' ' A' ' 147' ' ' PHE . 0.4 OUTLIER -41.37 -33.1 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.107 . . . . 0.0 109.232 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . 0.475 ' OD1' ' CE ' ' A' ' 165' ' ' LYS . 41.9 t-20 -73.98 -49.56 23.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.259 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . 0.444 ' N ' ' O ' ' A' ' 150' ' ' ARG . 5.6 mt -60.02 -64.98 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -46.27 -30.73 2.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.269 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 0.505 ' CD1' ' O ' ' A' ' 151' ' ' LEU . 5.5 mt -68.61 -60.98 2.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -50.29 -22.91 1.98 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.59 -33.69 69.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 155' ' ' LEU . . . -126.36 39.99 1.9 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.531 1.144 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -129.89 116.42 18.04 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.529 0.782 . . . . 0.0 109.305 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 165.93 30.29 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.55 1.816 . . . . 0.0 111.006 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.14 4.27 20.65 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -114.13 20.72 16.36 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.51 1.131 . . . . 0.0 111.025 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 1.2 m -145.91 142.05 17.38 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.498 0.764 . . . . 0.0 110.355 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 137.49 21.84 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.549 1.815 . . . . 0.0 111.023 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 165' ' ' LYS . . . . . 0.475 ' CE ' ' OD1' ' A' ' 152' ' ' ASN . 0.1 OUTLIER -117.07 -38.16 3.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . 0.509 ' N ' ' CD ' ' A' ' 167' ' ' PRO . 0.2 OUTLIER -40.05 -52.27 5.48 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.329 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 167' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 166' ' ' ASP . 18.1 Cg_endo -75.04 -51.06 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.235 0 O-C-N 124.518 1.799 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 168' ' ' ILE . . . . . 0.464 ' CG2' HD23 ' A' ' 155' ' ' LEU . 0.0 OUTLIER -46.92 -35.52 2.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.258 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 169' ' ' LEU . . . . . 0.45 HD21 ' CD2' ' A' ' 195' ' ' LEU . 50.6 tp -64.91 -67.35 0.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.09 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . 0.493 ' O ' ' CB ' ' A' ' 174' ' ' TYR . 1.0 OUTLIER -45.99 -35.19 4.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.264 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.17 -37.55 83.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.049 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.495 HD12 ' CD1' ' A' ' 155' ' ' LEU . 22.1 mt -70.2 -46.97 63.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.343 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 173' ' ' ALA . . . . . 0.422 ' CB ' ' SD ' ' A' ' 198' ' ' MET . . . -75.88 -1.87 27.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.368 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 174' ' ' TYR . . . . . 0.493 ' CB ' ' O ' ' A' ' 170' ' ' ARG . 0.5 OUTLIER -99.72 -72.1 0.68 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 175' ' ' SER . . . . . 0.431 ' N ' ' CG ' ' A' ' 174' ' ' TYR . 0.2 OUTLIER -63.5 -56.56 15.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 0.0 110.011 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 176' ' ' ASN . . . . . 0.461 ' HB3' ' CB ' ' A' ' 137' ' ' LEU . 3.2 m-20 -79.45 58.34 2.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.559 1.162 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 177' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' A' ' 178' ' ' ASN . . . -139.62 88.55 2.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.474 1.109 . . . . 0.0 109.355 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 178' ' ' ASN . . . . . 0.422 ' OD1' ' N ' ' A' ' 178' ' ' ASN . 0.5 OUTLIER 40.38 -159.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.281 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.33 -7.37 10.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.534 1.146 . . . . 0.0 109.258 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 18.7 pm0 -113.1 -26.09 8.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.329 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 181' ' ' CYS . . . . . 0.456 ' O ' ' N ' ' A' ' 184' ' ' LEU . 1.1 m -65.65 -58.48 5.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 108.243 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . 0.465 ' HG3' ' CD1' ' A' ' 174' ' ' TYR . 6.9 tt0 -46.08 -37.2 6.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.229 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -37.37 83.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 181' ' ' CYS . 3.4 tt -59.51 -50.28 74.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 185' ' ' LEU . . . . . 0.425 HD22 ' NE2' ' A' ' 190' ' ' HIS . 5.3 mt -50.92 -53.41 32.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 186' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 189' ' ' GLY . 23.1 mm-40 -58.78 -54.99 40.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.415 1.072 . . . . 0.0 110.294 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -45.79 -43.51 13.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 188' ' ' ARG . . . . . 0.405 ' HG3' ' CD2' ' A' ' 184' ' ' LEU . 0.1 OUTLIER -61.21 -34.45 75.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.344 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 189' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 186' ' ' GLN . . . 79.16 46.28 8.33 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.49 1.118 . . . . 0.0 110.969 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 190' ' ' HIS . . . . . 0.602 ' CG ' ' O ' ' A' ' 190' ' ' HIS . 1.8 p80 -149.7 45.8 0.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.771 . . . . 0.0 109.53 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -65.8 -48.04 73.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.409 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -84.08 57.73 4.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 193' ' ' SER . . . . . 0.534 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER -129.21 179.65 1.25 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.005 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . 0.534 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.6 Cg_endo -74.9 -167.23 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.469 1.773 . . . . 0.0 111.001 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 195' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 198' ' ' MET . 13.1 tp -86.36 -49.95 7.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.363 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -43.3 -40.99 4.86 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.528 1.143 . . . . 0.0 111.047 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 197' ' ' ASP . . . . . 0.457 ' HB3' ' CE1' ' A' ' 190' ' ' HIS . 2.0 t0 -67.48 -39.49 85.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.578 0.81 . . . . 0.0 109.223 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 198' ' ' MET . . . . . 0.454 ' N ' ' O ' ' A' ' 195' ' ' LEU . 52.5 ttm -60.74 -28.42 68.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.929 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 199' ' ' LEU . . . . . 0.405 ' O ' ' HB3' ' A' ' 203' ' ' GLN . 2.0 mm? -80.36 -24.97 39.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.355 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.9 -8.89 58.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.32 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -99.66 -30.47 12.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.394 1.059 . . . . 0.0 109.325 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 202' ' ' CYS . . . . . . . . . . . . . 14.0 p -87.77 -16.54 33.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.591 1.182 . . . . 0.0 108.308 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 203' ' ' GLN . . . . . 0.405 ' HB3' ' O ' ' A' ' 199' ' ' LEU . 8.4 pt20 -57.03 -16.75 7.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.251 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.347 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.442 ' HE1' ' CD2' ' A' ' 20' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.523 0.201 . . . . 0.0 110.996 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.8 pm0 -95.47 -176.0 3.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.092 . . . . 0.0 110.36 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -43.5 73.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.73 -50.13 73.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -52.57 -52.36 55.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.521 ' HB3' ' CE2' ' A' ' 61' ' ' TYR . 21.4 mt -61.09 -29.33 69.69 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -68.62 -54.9 13.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.34 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.39 -44.03 65.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.411 ' C ' ' N ' ' A' ' 25' ' ' GLN . 15.3 mt -57.62 -54.49 30.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.0 ttpp -46.13 -26.25 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.411 ' N ' ' C ' ' A' ' 23' ' ' ILE . 0.3 OUTLIER -75.24 -68.41 0.56 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -51.34 -25.57 6.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.313 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 43.7 t -78.77 -48.0 22.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.279 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.2 t -51.0 -24.07 3.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.049 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.49 -40.89 56.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.28 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.472 ' CB ' ' HB3' ' A' ' 36' ' ' GLN . . . -52.46 166.96 0.15 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 109.269 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -104.35 162.82 18.7 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.01 118.9 5.43 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.446 1.761 . . . . 0.0 111.035 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 72.1 30.85 64.75 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.501 1.126 . . . . 0.0 111.033 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 63.8 m -117.96 152.81 50.7 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.555 0.797 . . . . 0.0 110.002 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 50.85 2.63 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.52 1.8 . . . . 0.0 110.974 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.472 ' HB3' ' CB ' ' A' ' 30' ' ' ALA . 31.0 tp60 -121.25 -49.91 2.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.326 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.483 ' CE1' HD13 ' A' ' 41' ' ' ILE . 5.7 t80 -62.28 -64.34 0.96 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 110.963 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 9.5 tpt -44.23 -35.5 2.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -63.7 -38.41 91.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 110.258 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.44 ' N ' ' O ' ' A' ' 37' ' ' PHE . 1.2 m -69.8 -16.68 63.32 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 110.364 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.483 HD13 ' CE1' ' A' ' 37' ' ' PHE . 10.1 mm -80.72 -40.66 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.347 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.51 -37.67 68.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.163 . . . . 0.0 110.337 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.05 -43.36 95.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.351 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.52 -36.76 83.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -70.66 -25.28 26.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.78 -0.94 47.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.32 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -92.47 -71.75 0.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -108.68 -26.47 10.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 0.0 111.059 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 72.2 94.98 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 150.74 38.53 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.494 1.786 . . . . 0.0 110.996 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.0 p -88.81 -177.04 5.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.436 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.07 -51.3 58.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.358 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.413 ' HD3' ' ND2' ' A' ' 102' ' ' ASN . 0.0 OUTLIER -58.16 -59.98 4.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.39 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -44.33 -39.73 4.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.519 ' CD1' ' CG ' ' A' ' 117' ' ' TRP . 25.6 mt -67.69 -44.44 77.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 53' ' ' LYS . 16.9 tp60 -53.65 -53.23 54.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -66.28 -43.62 85.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.599 1.187 . . . . 0.0 109.352 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.564 HD21 ' CH2' ' A' ' 117' ' ' TRP . 21.1 tp -55.59 -28.12 53.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.472 ' CD2' ' CE1' ' A' ' 72' ' ' HIS . 26.3 tp -73.47 -38.48 65.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.66 4.59 46.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.27 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.521 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 1.3 t80 -96.7 -49.22 5.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 110.958 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.0 mt -112.69 -57.46 2.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.253 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 1.3 m -52.56 123.83 12.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 108.223 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.0 p -65.04 165.36 11.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.577 1.173 . . . . 0.0 110.025 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.7 m -50.32 -70.0 0.1 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.157 . . . . 0.0 109.958 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.471 ' CD1' HD12 ' A' ' 70' ' ' LEU . 10.2 tp -44.63 -57.47 3.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.4 t -49.16 -48.73 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.233 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.65 -54.25 30.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.5 p -53.7 -44.83 70.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.059 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.471 HD12 ' CD1' ' A' ' 66' ' ' LEU . 0.8 OUTLIER -57.94 -44.65 87.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.563 ' CD2' ' HB1' ' A' ' 120' ' ' ALA . 53.3 t-80 -65.27 -37.89 88.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.532 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.472 ' CE1' ' CD2' ' A' ' 59' ' ' LEU . 27.1 m80 -54.99 -42.49 72.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.597 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -71.91 -52.62 16.35 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.434 1.084 . . . . 0.0 110.369 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.77 -23.63 7.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.475 HD23 ' CB ' ' A' ' 120' ' ' ALA . 0.2 OUTLIER -83.47 -58.95 2.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.256 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -42.34 -39.08 2.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 109.249 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.49 -48.31 49.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.018 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.464 ' HB3' ' CD1' ' A' ' 116' ' ' LEU . 0.8 OUTLIER -53.54 -53.32 53.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.568 1.167 . . . . 0.0 109.345 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 6.9 mm -49.41 -50.53 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.465 ' HA ' ' CG ' ' A' ' 83' ' ' GLU . 1.6 p -48.67 -35.02 12.96 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.549 1.156 . . . . 0.0 110.04 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -65.62 -36.45 83.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 110.224 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.01 -65.4 0.77 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.553 1.158 . . . . 0.0 109.346 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.465 ' CG ' ' HA ' ' A' ' 80' ' ' SER . 1.5 pt-20 -49.78 -23.11 1.67 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.402 ' CB ' ' O ' ' A' ' 80' ' ' SER . 1.2 m -73.65 -42.98 60.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 110.374 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.38 -1.57 37.68 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.581 1.176 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 83.36 -9.94 60.13 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.443 1.089 . . . . 0.0 110.993 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.472 HD12 ' CG ' ' A' ' 90' ' ' TYR . 67.7 mt 59.64 154.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 0.781 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 3.2 t -52.85 -55.86 20.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.377 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -151.73 59.46 0.42 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.58 1.175 . . . . 0.0 110.938 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.544 ' CG ' ' N ' ' A' ' 91' ' ' ASN . 16.9 t80 -78.95 169.07 18.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 0.755 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.544 ' N ' ' CG ' ' A' ' 90' ' ' TYR . 2.1 t-20 -130.18 129.23 22.88 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 C--N 1.36 1.169 0 O-C-N 124.479 1.778 . . . . 0.0 111.01 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.86 0 N-CA-C 111.044 -0.406 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.1 tp -53.89 -20.68 6.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 9.8 ptt180 -74.32 -8.37 56.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.276 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 53.5 t -99.62 -59.63 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -56.83 -17.95 11.15 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.551 1.157 . . . . 0.0 110.274 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.33 -38.09 56.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.413 ' ND2' ' HD3' ' A' ' 53' ' ' LYS . 29.2 p30 -101.26 33.19 2.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -107.08 140.28 21.26 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.219 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 48.79 2.07 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.523 1.801 . . . . 0.0 111.033 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -144.69 -47.14 0.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.285 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -89.36 113.92 25.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.312 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -106.58 -34.49 7.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -65.96 -58.67 8.58 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.454 1.096 . . . . 0.0 110.985 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.465 ' CD1' HG21 ' A' ' 87' ' ' ILE . 0.4 OUTLIER -60.78 -51.69 68.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 0.767 . . . . 0.0 109.317 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -43.04 -35.43 1.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 110.377 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.7 -53.91 7.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.535 1.147 . . . . 0.0 110.279 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -17.22 9.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -84.91 -39.19 18.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -63.44 -48.95 75.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.57 1.169 . . . . 0.0 110.35 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -68.32 -35.78 78.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.436 1.085 . . . . 0.0 110.265 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.464 ' CD1' ' HB3' ' A' ' 78' ' ' LEU . 8.2 tt -66.72 -36.71 83.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.789 ' CZ2' ' CE1' ' A' ' 121' ' ' PHE . 86.5 t90 -62.61 -43.34 99.05 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.459 ' CD2' HG21 ' A' ' 41' ' ' ILE . 65.7 mt -65.63 -31.8 73.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -57.65 -60.6 3.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.563 ' HB1' ' CD2' ' A' ' 71' ' ' HIS . . . -58.23 -37.24 74.49 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.789 ' CE1' ' CZ2' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -60.38 -31.91 70.8 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 110.918 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -97.18 0.75 48.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -92.98 -0.15 57.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 60.1 mt -74.65 154.32 87.41 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.562 1.822 . . . . 0.0 110.978 -179.959 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.885 0 N-CA-C 111.057 -0.401 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.51 -31.96 63.98 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.616 1.197 . . . . 0.0 109.935 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.476 ' HA ' ' CD1' ' A' ' 136' ' ' ILE . 20.8 p-90 -73.67 -15.41 61.24 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.34 -11.08 38.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 3.4 t -133.4 33.27 3.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.476 ' CD1' ' HA ' ' A' ' 133' ' ' TRP . 65.1 mt -115.59 117.22 54.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.81 162.61 35.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.079 . . . . 0.0 109.302 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . 0.568 ' OE1' ' CD1' ' A' ' 144' ' ' TYR . 4.9 tt0 -87.97 103.06 15.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 110.268 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -59.18 159.43 19.2 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.585 1.178 . . . . 0.0 110.974 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -67.1 -25.03 66.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 0.748 . . . . 0.0 109.296 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -116.65 40.07 3.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 110.236 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -138.97 159.64 66.08 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.442 1.089 . . . . 0.0 110.272 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 150.82 38.59 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.483 1.78 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' TYR . . . . . 0.568 ' CD1' ' OE1' ' A' ' 138' ' ' GLN . 6.5 t80 -105.04 -40.04 6.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 111.04 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' HIS . . . . . 0.467 ' HA ' ' CD1' ' A' ' 199' ' ' LEU . 0.5 OUTLIER -60.63 -53.78 53.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.575 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.0 -26.91 68.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.358 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . 0.575 ' CE2' HD12 ' A' ' 151' ' ' LEU . 60.3 t80 -73.5 -42.8 61.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.137 . . . . 0.0 111.0 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.511 ' CG2' ' O ' ' A' ' 144' ' ' TYR . 46.7 t -58.03 -46.57 87.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 109.258 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -56.78 -56.13 25.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.264 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 153' ' ' ILE . 4.6 mmt180 -56.59 -47.86 78.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . 0.575 HD12 ' CE2' ' A' ' 147' ' ' PHE . 0.7 OUTLIER -44.76 -41.63 7.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -66.48 -40.9 89.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 156' ' ' ASP . 1.2 mp -65.09 -69.22 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -41.87 -29.06 0.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.335 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 0.465 ' CD1' HD11 ' A' ' 169' ' ' LEU . 6.4 mt -76.67 -50.47 13.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 153' ' ' ILE . 12.9 t70 -52.78 -20.46 3.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -92.1 -25.47 18.73 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.57 1.169 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 155' ' ' LEU . . . -136.73 53.88 0.73 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.513 1.133 . . . . 0.0 111.039 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 155' ' ' LEU . 0.2 OUTLIER -166.07 103.63 0.71 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.75 . . . . 0.0 109.281 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 157.19 43.08 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.419 1.747 . . . . 0.0 111.022 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 163' ' ' THR . 6.4 mt-10 -61.49 -51.07 70.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.275 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -40.06 -28.43 0.16 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.469 1.106 . . . . 0.0 111.015 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' THR . . . . . 0.421 ' N ' ' O ' ' A' ' 161' ' ' GLU . 1.9 m -100.23 145.67 30.64 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.444 0.732 . . . . 0.0 110.417 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 128.48 11.5 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.465 1.771 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 1.1 tmpt? -110.13 -24.54 10.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . 0.493 ' CB ' ' HD3' ' A' ' 167' ' ' PRO . 0.4 OUTLIER -52.6 -52.59 62.45 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 167' ' ' PRO . . . . . 0.493 ' HD3' ' CB ' ' A' ' 166' ' ' ASP . 18.1 Cg_endo -75.01 -37.19 2.13 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.553 1.817 . . . . 0.0 110.966 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 168' ' ' ILE . . . . . 0.421 ' CD1' HD21 ' A' ' 159' ' ' LEU . 0.0 OUTLIER -61.51 -34.7 62.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.571 1.17 . . . . 0.0 109.319 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 169' ' ' LEU . . . . . 0.465 HD11 ' CD1' ' A' ' 155' ' ' LEU . 12.5 tp -71.24 -58.99 3.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 7.5 mtm105 -47.39 -25.41 1.02 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 110.28 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.17 -57.68 3.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 109.922 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.464 ' CB ' HD21 ' A' ' 151' ' ' LEU . 27.6 mt -51.97 -21.04 2.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 173' ' ' ALA . . . . . 0.506 ' O ' ' CB ' ' A' ' 177' ' ' ALA . . . -91.41 -68.05 0.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.102 . . . . 0.0 109.271 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 174' ' ' TYR . . . . . 0.422 ' OH ' ' NE2' ' A' ' 186' ' ' GLN . 3.0 t80 -73.81 -65.68 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 110.949 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 8.1 t -43.49 -27.99 0.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.944 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 176' ' ' ASN . . . . . 0.401 ' N ' ' C ' ' A' ' 174' ' ' TYR . 54.9 m-20 -126.27 56.39 1.45 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 177' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 173' ' ' ALA . . . -121.53 136.94 54.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 178' ' ' ASN . . . . . 0.447 ' OD1' ' N ' ' A' ' 178' ' ' ASN . 2.8 p-10 -52.58 -175.67 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.33 -47.63 22.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -56.58 -27.31 57.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.595 1.185 . . . . 0.0 110.291 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 181' ' ' CYS . . . . . 0.545 ' SG ' ' CE2' ' A' ' 144' ' ' TYR . 54.0 t -84.51 -68.98 0.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 108.259 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' A' ' 183' ' ' LYS . 3.1 pp0? -44.13 -33.53 1.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.362 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 183' ' ' LYS . . . . . 0.409 ' N ' ' HG3' ' A' ' 182' ' ' GLN . 11.5 ttpp -73.43 -42.32 62.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.591 1.182 . . . . 0.0 109.316 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . 0.472 ' CD2' ' HG3' ' A' ' 188' ' ' ARG . 2.1 tt -57.79 -50.46 73.18 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 185' ' ' LEU . . . . . 0.508 ' CD1' ' SD ' ' A' ' 198' ' ' MET . 6.7 mt -52.37 -55.6 20.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 186' ' ' GLN . . . . . 0.422 ' NE2' ' OH ' ' A' ' 174' ' ' TYR . 20.5 mm-40 -55.59 -47.3 76.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.329 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -58.08 -21.64 46.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 188' ' ' ARG . . . . . 0.472 ' HG3' ' CD2' ' A' ' 184' ' ' LEU . 0.0 OUTLIER -91.9 -22.04 20.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.536 1.147 . . . . 0.0 110.296 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 65.93 55.51 19.06 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 190' ' ' HIS . . . . . 0.561 ' CG ' ' O ' ' A' ' 190' ' ' HIS . 1.5 p80 -155.02 36.92 0.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 0.741 . . . . 0.0 109.619 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 43.4 p -60.84 -60.22 4.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.402 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -77.16 59.99 1.83 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 193' ' ' SER . . . . . 0.539 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER -134.64 -179.47 1.08 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.974 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . 0.539 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.4 Cg_endo -74.96 -168.6 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.495 1.787 . . . . 0.0 110.962 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 195' ' ' LEU . . . . . 0.461 HD22 ' CG1' ' A' ' 148' ' ' VAL . 4.7 tp -86.05 -36.36 19.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -45.54 -40.43 8.52 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.544 1.153 . . . . 0.0 110.976 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 197' ' ' ASP . . . . . 0.403 ' HB3' ' ND1' ' A' ' 190' ' ' HIS . 13.6 m-20 -77.3 -29.17 53.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 0.741 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 198' ' ' MET . . . . . 0.508 ' SD ' ' CD1' ' A' ' 185' ' ' LEU . 32.7 tpp -60.28 -50.17 74.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 111.011 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 199' ' ' LEU . . . . . 0.467 ' CD1' ' HA ' ' A' ' 145' ' ' HIS . 2.7 mm? -73.3 -22.6 60.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.259 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -79.73 -17.52 53.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.261 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -93.01 -37.33 12.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.652 1.22 . . . . 0.0 109.308 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 202' ' ' CYS . . . . . 0.41 ' O ' ' C ' ' A' ' 203' ' ' GLN . 43.4 t -81.08 -21.39 40.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.149 . . . . 0.0 108.33 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 203' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 202' ' ' CYS . 12.8 pt20 -38.16 -36.54 0.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 110.288 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 6.6 t . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.346 -179.952 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.569 ' HG3' ' CZ ' ' A' ' 48' ' ' PHE . 2.8 ttt . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.479 0.18 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 19' ' ' ASP . 0.0 OUTLIER -80.02 153.92 28.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.447 ' O ' ' NE2' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -45.52 -25.6 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.908 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.44 -41.39 96.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 109.347 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 16' ' ' GLN . 0.6 OUTLIER -59.05 -58.77 7.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.092 . . . . 0.0 109.287 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.46 ' HB3' ' CE2' ' A' ' 61' ' ' TYR . 4.6 mt -54.72 -27.03 37.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' A' ' 17' ' ' MET . 4.9 mt-30 -71.55 -53.4 13.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.277 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.08 -30.59 68.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.098 . . . . 0.0 109.343 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 55.0 mt -66.39 -51.27 60.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.1 ttpp -51.59 -28.34 13.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.596 1.185 . . . . 0.0 109.374 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -72.17 -69.82 0.37 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.553 1.158 . . . . 0.0 110.297 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.442 ' CD ' ' CG2' ' A' ' 40' ' ' THR . 2.6 pt-20 -51.96 -23.74 5.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.267 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 30' ' ' ALA . 5.3 t -79.06 -47.6 22.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.353 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.2 t -48.18 -35.15 11.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 109.961 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -67.9 -32.34 72.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.273 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 27' ' ' VAL . . . -47.64 168.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -109.45 172.36 3.7 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 115.82 4.4 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.508 1.794 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 57.8 43.72 94.53 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.9 m -118.81 157.28 50.56 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.581 0.812 . . . . 0.0 109.962 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 48.48 2.01 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.401 1.738 . . . . 0.0 111.025 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -121.64 -58.8 1.73 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -54.91 -52.95 61.31 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.549 1.155 . . . . 0.0 110.985 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.434 ' HE1' ' CD2' ' A' ' 118' ' ' LEU . 0.0 OUTLIER -57.83 -41.95 83.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 42.2 tp60 -56.46 -36.16 68.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.442 ' CG2' ' CD ' ' A' ' 26' ' ' GLU . 1.3 m -68.32 -31.18 70.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.412 1.07 . . . . 0.0 110.417 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.46 HG22 ' CD2' ' A' ' 118' ' ' LEU . 16.8 mm -63.98 -47.67 89.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.2 tpp180 -66.04 -28.68 69.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.369 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.3 tp -67.29 -34.39 77.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.248 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.27 -42.96 22.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.113 . . . . 0.0 109.286 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.454 HG13 ' CD1' ' A' ' 118' ' ' LEU . 0.5 OUTLIER -68.53 -18.52 23.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -99.55 -24.22 14.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 110.26 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -67.42 -68.49 0.38 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 110.259 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.569 ' CZ ' ' HG3' ' A' ' 15' ' ' MET . 12.3 p90 -115.31 -28.18 6.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.423 ' OD1' ' NE2' ' A' ' 114' ' ' GLN . 6.9 t70 75.4 94.79 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.44 ' CD ' ' HA ' ' A' ' 45' ' ' VAL . 18.1 Cg_endo -75.0 160.5 40.08 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.498 1.789 . . . . 0.0 110.955 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.6 p -90.41 -179.36 5.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 110.37 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.77 -51.99 66.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -51.74 -52.13 50.92 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.558 1.161 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -55.0 -49.63 71.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.253 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.46 ' HB3' ' CE2' ' A' ' 117' ' ' TRP . 20.0 mt -54.33 -47.76 72.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -48.38 -48.36 36.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.321 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.413 ' C ' ' N ' ' A' ' 59' ' ' LEU . 2.1 m-20 -69.79 -53.47 18.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 18.4 tp -48.21 -24.31 1.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.412 1.07 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.532 HD23 ' CD2' ' A' ' 71' ' ' HIS . 50.6 tp -76.9 -52.22 9.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.23 25.01 2.32 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.519 1.137 . . . . 0.0 110.237 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.46 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 36.0 t80 -120.69 -49.78 2.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.173 . . . . 0.0 111.007 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.5 mt -88.54 -53.27 4.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 109.343 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 60.4 m -82.12 -173.92 4.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 108.227 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.8 m -104.89 175.9 5.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.998 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.0 m -59.34 -44.28 92.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.047 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.448 HD11 ' CD1' ' A' ' 70' ' ' LEU . 6.7 tp -52.78 -60.33 3.4 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.45 1.094 . . . . 0.0 109.413 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.4 t -49.58 -49.02 19.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.147 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.19 -47.11 62.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.8 p -60.08 -54.03 50.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.985 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.448 ' CD1' HD11 ' A' ' 66' ' ' LEU . 63.5 mt -50.84 -51.91 46.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.565 ' CE1' HD23 ' A' ' 75' ' ' LEU . 2.5 t60 -57.44 -44.23 84.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.608 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -52.96 -23.55 7.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.633 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -80.9 -70.89 0.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.258 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.48 ' HG3' ' CB ' ' A' ' 120' ' ' ALA . 0.4 OUTLIER -47.2 -44.84 22.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.257 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.565 HD23 ' CE1' ' A' ' 71' ' ' HIS . 0.2 OUTLIER -58.44 -52.59 64.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -47.6 -51.47 21.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.1 t -62.7 -40.29 96.67 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.494 1.121 . . . . 0.0 109.96 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.42 ' HB3' ' CD1' ' A' ' 116' ' ' LEU . 5.9 mp -54.58 -45.52 73.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.461 ' CG2' HD22 ' A' ' 97' ' ' LEU . 12.2 mm -56.45 -54.62 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.415 ' HA ' ' CG ' ' A' ' 83' ' ' GLU . 0.5 OUTLIER -46.57 -28.81 1.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.409 1.068 . . . . 0.0 110.034 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -71.79 -39.42 69.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.33 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 79' ' ' ILE . . . -65.53 -58.69 5.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.415 ' CG ' ' HA ' ' A' ' 80' ' ' SER . 0.0 OUTLIER -55.15 -35.27 64.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.309 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.7 m -67.38 -47.22 71.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.592 1.183 . . . . 0.0 110.448 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.87 0.06 22.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 110.282 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 71.78 88.06 0.14 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.525 1.141 . . . . 0.0 110.966 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.534 HD13 ' CG ' ' A' ' 90' ' ' TYR . 82.2 mt -52.41 156.41 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.459 0.74 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.471 ' HG1' ' N ' ' A' ' 89' ' ' GLY . 0.0 OUTLIER -42.75 -73.8 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.382 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.471 ' N ' ' HG1' ' A' ' 88' ' ' THR . . . -140.35 54.69 0.65 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.482 1.114 . . . . 0.0 111.026 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.534 ' CG ' HD13 ' A' ' 87' ' ' ILE . 60.4 t80 -80.26 142.34 34.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 0.733 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -109.61 100.54 42.64 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 0.0 110.989 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.802 0 N-CA-C 110.931 -0.449 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.461 HD22 ' CG2' ' A' ' 79' ' ' ILE . 19.0 tp -120.27 -48.79 2.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.439 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 0.1 OUTLIER -60.95 -27.4 68.21 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.439 1.087 . . . . 0.0 110.334 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 92.6 t -61.39 -47.12 94.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -71.35 -28.71 64.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.308 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.52 -37.98 71.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.375 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 98' ' ' ARG . 25.3 p30 -102.17 35.68 2.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -109.86 134.9 20.51 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.419 1.074 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 48.58 2.02 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.405 1.739 . . . . 0.0 110.973 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 20.7 mm-40 -147.72 -48.61 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.337 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.3 116.39 23.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.26 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 13.4 tm0? -106.41 -33.89 7.59 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -61.06 -56.89 21.42 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.466 ' CD1' HG22 ' A' ' 87' ' ' ILE . 1.3 mt -62.24 -44.91 95.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 0.734 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.45 -38.75 4.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 110.248 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.403 ' C ' ' N ' ' A' ' 113' ' ' TYR . 0.3 OUTLIER -75.75 -61.14 2.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.275 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.461 ' CG ' HD21 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -46.47 -24.71 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 0.0 110.256 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.425 ' N ' ' HG3' ' A' ' 112' ' ' GLU . 7.1 t80 -79.65 -40.89 28.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 111.017 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.423 ' NE2' ' OD1' ' A' ' 49' ' ' ASP . 26.5 mt-30 -59.36 -46.46 88.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.8 -49.82 23.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.473 ' CD2' HD13 ' A' ' 75' ' ' LEU . 7.6 tt -51.84 -42.44 62.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.799 ' CZ2' ' CE1' ' A' ' 121' ' ' PHE . 74.4 t90 -59.27 -51.52 69.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.567 1.167 . . . . 0.0 107.975 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.46 ' CD2' HG22 ' A' ' 41' ' ' ILE . 64.9 mt -54.99 -36.08 65.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.59 -58.58 7.19 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.435 1.084 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.48 ' CB ' ' HG3' ' A' ' 74' ' ' GLN . . . -51.45 -47.21 63.16 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.799 ' CE1' ' CZ2' ' A' ' 117' ' ' TRP . 0.3 OUTLIER -55.16 -50.03 70.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.59 -2.77 30.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.401 ' HB1' ' HA ' ' A' ' 120' ' ' ALA . . . -95.35 8.09 44.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.349 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 24.9 mt -86.84 157.55 54.56 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.115 . . . . 0.0 109.343 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.479 1.778 . . . . 0.0 111.008 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo . . . . . 0 N--CA 1.453 -0.859 0 N-CA-C 110.95 -0.442 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.97 -31.18 58.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.965 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.426 ' CD1' HD22 ' A' ' 155' ' ' LEU . 25.5 p-90 -75.06 -10.08 59.14 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.571 1.17 . . . . 0.0 107.936 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -69.38 -8.29 45.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.236 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.04 30.6 4.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.03 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 44.4 mt -119.9 118.64 57.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.538 ' O ' ' CZ ' ' A' ' 147' ' ' PHE . 0.3 OUTLIER -135.5 -178.5 5.14 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . 0.44 ' HG3' ' CG ' ' A' ' 144' ' ' TYR . 0.0 OUTLIER -99.04 113.58 25.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.274 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . 0.423 ' O ' ' NE2' ' A' ' 138' ' ' GLN . . . -70.08 144.99 40.54 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.499 ' N ' ' ND2' ' A' ' 178' ' ' ASN . 2.1 tm? -57.56 -41.81 81.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.767 . . . . 0.0 109.212 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -114.27 41.38 2.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 110.287 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -125.96 160.38 57.1 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 99.55 1.26 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.579 1.831 . . . . 0.0 110.967 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' TYR . . . . . 0.576 ' CD2' ' SG ' ' A' ' 181' ' ' CYS . 1.3 t80 -62.24 -48.08 81.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' HIS . . . . . 0.476 ' HA ' ' CD1' ' A' ' 199' ' ' LEU . 3.0 t-160 -53.03 -55.58 22.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.61 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -59.88 -24.39 64.23 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.539 1.149 . . . . 0.0 109.341 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . 0.538 ' CZ ' ' O ' ' A' ' 137' ' ' LEU . 0.1 OUTLIER -75.39 -41.79 55.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.437 1.086 . . . . 0.0 110.996 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.518 ' CG2' ' CE1' ' A' ' 144' ' ' TYR . 46.2 t -60.18 -46.28 94.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.248 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.23 -53.3 59.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 110.237 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -44.65 93.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.294 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . 0.468 ' O ' ' CD1' ' A' ' 155' ' ' LEU . 0.8 OUTLIER -49.1 -38.21 23.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.34 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -65.78 -47.85 73.78 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.561 1.163 . . . . 0.0 109.346 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . 0.404 ' C ' ' N ' ' A' ' 155' ' ' LEU . 2.8 mt -62.33 -67.93 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -43.76 -29.84 0.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.583 1.177 . . . . 0.0 109.265 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 0.468 ' CD1' ' O ' ' A' ' 151' ' ' LEU . 5.8 mt -69.0 -60.66 2.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -50.11 -22.74 1.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . 0.404 ' N ' ' C ' ' A' ' 155' ' ' LEU . 0.9 OUTLIER -70.31 -30.07 66.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . 0.446 ' O ' ' CD2' ' A' ' 159' ' ' LEU . . . -137.27 44.46 1.14 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.493 1.12 . . . . 0.0 110.959 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.446 ' CD2' ' O ' ' A' ' 158' ' ' GLY . 0.5 OUTLIER -132.3 116.18 15.26 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.468 0.746 . . . . 0.0 109.319 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 161.74 38.27 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.448 1.762 . . . . 0.0 111.062 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -77.07 -3.99 42.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.327 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -111.39 23.96 16.9 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.52 1.137 . . . . 0.0 111.036 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 2.5 m -137.33 141.01 32.4 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.471 0.748 . . . . 0.0 110.385 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 134.23 17.55 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.488 1.783 . . . . 0.0 110.96 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.77 -33.05 5.93 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . 0.509 ' N ' ' CD ' ' A' ' 167' ' ' PRO . 0.1 OUTLIER -41.02 -51.91 7.19 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 167' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 166' ' ' ASP . 18.3 Cg_endo -74.98 -52.71 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.538 1.81 . . . . 0.0 110.988 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -45.92 -47.34 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.228 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 169' ' ' LEU . . . . . 0.467 HD13 ' CD1' ' A' ' 155' ' ' LEU . 28.0 tp -61.48 -53.91 50.26 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 20.6 ttp85 -64.16 -12.04 36.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.273 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 171' ' ' SER . . . . . 0.494 ' O ' ' CB ' ' A' ' 175' ' ' SER . 0.3 OUTLIER -91.14 -33.74 15.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.967 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.461 ' CD1' HD23 ' A' ' 155' ' ' LEU . 7.0 mt -81.58 -16.27 52.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -92.91 -32.56 14.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.245 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 174' ' ' TYR . . . . . 0.404 ' C ' ' N ' ' A' ' 176' ' ' ASN . 81.1 t80 -107.28 -68.47 0.89 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 110.971 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 175' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 171' ' ' SER . 0.1 OUTLIER -44.92 -26.87 0.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.102 . . . . 0.0 109.99 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 176' ' ' ASN . . . . . 0.419 ' OD1' ' CD2' ' A' ' 137' ' ' LEU . 27.6 m-20 -125.04 61.68 1.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.258 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -132.98 147.19 52.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 178' ' ' ASN . . . . . 0.499 ' ND2' ' N ' ' A' ' 140' ' ' LEU . 0.4 OUTLIER -50.92 179.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.11 -36.53 47.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.221 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.53 -29.73 62.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 110.338 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 181' ' ' CYS . . . . . 0.576 ' SG ' ' CD2' ' A' ' 144' ' ' TYR . 23.3 t -72.03 -59.86 2.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 108.32 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . 0.404 ' O ' ' NE2' ' A' ' 186' ' ' GLN . 27.8 mt-30 -55.78 -43.46 76.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 0.0 110.266 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 9.3 ttpp -60.1 -35.89 76.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . 0.504 ' CD2' ' C ' ' A' ' 184' ' ' LEU . 3.3 tt -64.21 -56.96 11.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 185' ' ' LEU . . . . . 0.508 ' CD2' ' NE2' ' A' ' 190' ' ' HIS . 4.9 mt -47.27 -50.44 21.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 186' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 189' ' ' GLY . 0.9 OUTLIER -61.32 -60.95 2.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.344 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -44.62 -27.04 0.43 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.138 . . . . 0.0 109.337 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 188' ' ' ARG . . . . . 0.418 ' N ' ' C ' ' A' ' 186' ' ' GLN . 0.2 OUTLIER -78.04 -44.89 25.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 189' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 186' ' ' GLN . . . 82.53 72.52 1.26 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.494 1.121 . . . . 0.0 111.043 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 190' ' ' HIS . . . . . 0.534 ' ND1' ' O ' ' A' ' 190' ' ' HIS . 4.5 p80 -166.71 29.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 0.733 . . . . 0.0 109.588 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 1.9 p -58.43 -50.26 74.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.336 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -63.97 -32.23 73.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 109.317 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 193' ' ' SER . . . . . 0.497 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.2 OUTLIER -49.46 178.03 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 109.983 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . 0.497 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.5 Cg_endo -74.92 -166.69 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.529 1.805 . . . . 0.0 111.065 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 195' ' ' LEU . . . . . 0.482 ' CD1' ' SD ' ' A' ' 198' ' ' MET . 4.4 tp -86.65 -40.28 15.27 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -47.23 -34.41 8.41 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.468 1.105 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 197' ' ' ASP . . . . . 0.422 ' HB3' ' ND1' ' A' ' 190' ' ' HIS . 46.4 t0 -69.42 -32.3 71.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 0.736 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 198' ' ' MET . . . . . 0.482 ' SD ' ' CD1' ' A' ' 195' ' ' LEU . 59.1 mtp -62.96 -31.52 72.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 199' ' ' LEU . . . . . 0.476 ' CD1' ' HA ' ' A' ' 145' ' ' HIS . 2.9 mm? -83.34 -21.69 33.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -91.22 -8.14 49.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -97.21 -38.65 9.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 202' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 203' ' ' GLN . 14.5 p -82.43 -24.22 34.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 108.28 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 203' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 202' ' ' CYS . 17.6 pt20 -35.53 -42.22 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 204' ' ' THR . . . . . 0.405 ' N ' ' HG3' ' A' ' 203' ' ' GLN . 4.4 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.406 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.557 ' HG3' ' CE1' ' A' ' 48' ' ' PHE . 3.0 ttt . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.464 0.174 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 43.3 tp60 -80.99 145.72 31.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.323 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.43 -36.97 7.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.6 pttt -64.59 -40.1 94.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -52.97 -47.13 68.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.478 ' CD2' ' CE ' ' A' ' 15' ' ' MET . 17.0 mt -62.69 -36.82 84.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -63.16 -57.26 11.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.424 1.078 . . . . 0.0 110.295 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.32 -45.47 69.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.46 ' HA ' ' CG ' ' A' ' 26' ' ' GLU . 57.7 mt -51.97 -50.81 32.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.581 1.175 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -50.64 -31.52 16.36 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.518 1.137 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.26 -71.06 0.36 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.46 ' CG ' ' HA ' ' A' ' 23' ' ' ILE . 7.3 pt-20 -46.46 -24.53 0.52 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.517 1.136 . . . . 0.0 110.328 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.1 t -80.6 -47.96 20.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.1 t -46.5 -37.46 7.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.024 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -59.16 -42.37 90.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.473 ' CB ' ' HB3' ' A' ' 36' ' ' GLN . . . -62.92 179.27 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.56 163.21 49.94 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 63.29 6.02 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.516 1.798 . . . . 0.0 110.965 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 161.7 -34.28 0.37 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.2 t -68.42 141.65 93.6 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.464 0.744 . . . . 0.0 109.988 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 52.07 2.96 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.521 1.801 . . . . 0.0 111.063 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.473 ' HB3' ' CB ' ' A' ' 30' ' ' ALA . 9.5 tp60 -120.93 -41.83 2.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.34 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -64.21 -63.0 1.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 9.5 tpt -47.56 -47.09 28.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.937 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -51.17 -48.18 61.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.544 1.152 . . . . 0.0 110.323 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.401 ' CG2' ' CD ' ' A' ' 26' ' ' GLU . 5.1 m -56.46 -27.71 57.68 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.478 1.111 . . . . 0.0 110.435 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.418 ' N ' HD13 ' A' ' 41' ' ' ILE . 4.6 mm -74.81 -39.67 45.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.8 mmm180 -74.63 -22.48 58.89 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.6 tp -78.17 -48.3 16.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.53 -49.47 73.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.459 HG11 ' CD1' ' A' ' 118' ' ' LEU . 0.3 OUTLIER -60.75 -26.61 38.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.328 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.402 ' N ' HG12 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -95.29 0.07 53.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.271 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -89.26 -72.11 0.57 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.388 1.055 . . . . 0.0 110.246 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.557 ' CE1' ' HG3' ' A' ' 15' ' ' MET . 8.0 p90 -110.42 -26.4 9.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.427 ' CB ' ' O ' ' A' ' 48' ' ' PHE . 1.9 m-20 76.75 92.58 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.352 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 143.39 28.94 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.524 1.802 . . . . 0.0 110.984 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.8 p -65.69 -173.62 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.381 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 113' ' ' TYR . . . -65.83 -52.44 50.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.428 ' HD3' ' N ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -55.7 -39.86 71.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.428 ' N ' ' HD3' ' A' ' 53' ' ' LYS . 96.3 m-20 -59.12 -40.0 84.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 109.351 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.474 ' CD1' ' CG ' ' A' ' 117' ' ' TRP . 26.0 mt -64.61 -44.63 89.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.438 ' CA ' ' OE1' ' A' ' 56' ' ' GLN . 4.0 tp60 -55.34 -51.6 66.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.298 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -64.92 -45.03 87.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.335 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.565 HD23 ' CH2' ' A' ' 117' ' ' TRP . 20.7 tp -56.19 -31.95 63.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 46.0 tp -64.23 -58.11 7.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 109.296 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.46 -23.1 67.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.531 1.145 . . . . 0.0 110.316 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -63.22 -59.44 4.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.7 mt -96.06 -69.28 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 68.4 m -51.97 137.88 25.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.559 1.162 . . . . 0.0 108.245 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.9 t -75.59 -177.59 3.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 109.988 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 36.5 m -61.24 -51.29 69.59 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.491 1.119 . . . . 0.0 109.974 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.1 tp -53.37 -61.21 2.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.461 HG12 ' CD1' ' A' ' 124' ' ' LEU . 18.4 t -54.41 -56.52 9.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -43.97 -37.45 2.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.2 p -75.99 -38.75 57.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.976 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 67' ' ' VAL . 20.2 mt -59.88 -54.57 44.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.558 ' CE1' ' CD1' ' A' ' 117' ' ' TRP . 2.0 t60 -60.28 -38.82 84.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.556 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -50.31 -35.71 28.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.576 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -74.07 -63.65 1.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.364 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -47.96 -28.21 2.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 110.383 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.513 ' CD1' ' CD1' ' A' ' 79' ' ' ILE . 0.4 OUTLIER -79.91 -49.01 12.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -52.05 -46.8 65.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.395 1.059 . . . . 0.0 109.277 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.27 -33.57 75.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.125 . . . . 0.0 110.046 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.466 ' HB3' ' CD1' ' A' ' 116' ' ' LEU . 4.2 tp -56.74 -56.59 19.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.404 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.513 ' CD1' ' CD1' ' A' ' 75' ' ' LEU . 2.3 mp -53.19 -46.69 56.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.473 ' HA ' ' CG ' ' A' ' 83' ' ' GLU . 33.4 t -47.93 -31.74 5.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.95 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -72.03 -50.4 28.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.344 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.462 ' CB ' ' CD1' ' A' ' 87' ' ' ILE . . . -58.08 -60.13 4.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.518 ' HB3' ' CZ ' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -51.45 -43.36 62.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.249 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.3 m -57.22 -44.84 84.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.326 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.79 -0.18 49.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.576 1.172 . . . . 0.0 110.315 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 55.52 81.7 0.06 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.485 1.115 . . . . 0.0 110.97 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.476 HG23 ' CD1' ' A' ' 109' ' ' LEU . 3.6 mt -40.26 140.24 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.763 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.452 ' N ' HG21 ' A' ' 87' ' ' ILE . 1.6 t -38.09 -30.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 110.348 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 87' ' ' ILE . . . -142.63 58.07 0.55 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.475 1.109 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.518 ' CZ ' ' HB3' ' A' ' 83' ' ' GLU . 23.0 t80 -79.41 174.5 11.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 0.793 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.416 ' N ' ' CG ' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -160.18 115.3 1.45 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.209 0 O-C-N 124.536 1.809 . . . . 0.0 110.992 -179.997 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.845 0 N-CA-C 111.004 -0.422 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.444 HD21 ' CG1' ' A' ' 79' ' ' ILE . 6.2 tp -42.81 -41.43 3.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 109.345 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.4 ptt180 -46.93 -38.99 11.43 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.467 1.105 . . . . 0.0 110.294 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 70.1 t -73.05 -49.25 40.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.163 . . . . 0.0 109.302 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -55.71 -20.33 14.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.254 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -102.54 15.79 28.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 109.287 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -120.88 -2.45 9.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.392 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -92.44 138.14 24.21 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 48.63 2.06 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.501 1.79 . . . . 0.0 111.046 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -140.3 -48.31 0.44 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.493 1.121 . . . . 0.0 110.251 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -80.96 90.68 5.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -89.87 -29.34 18.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.132 . . . . 0.0 110.276 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -68.19 -58.99 6.69 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.476 ' CD1' HG23 ' A' ' 87' ' ' ILE . 0.5 OUTLIER -65.88 -12.46 54.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 0.777 . . . . 0.0 109.26 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -72.36 -56.78 4.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 110.228 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -46.86 85.8 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 113' ' ' TYR . 0.0 OUTLIER -52.17 -33.99 42.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 110.264 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.518 ' CZ ' ' HB2' ' A' ' 52' ' ' ALA . 3.5 t80 -68.96 -45.31 71.04 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.547 1.154 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -50.22 -43.6 52.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.297 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -77.16 -45.81 25.48 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.446 1.091 . . . . 0.0 110.319 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -53.22 -35.48 59.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.274 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.639 ' CZ2' ' CE1' ' A' ' 121' ' ' PHE . 32.0 t90 -68.68 -63.77 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 107.964 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.459 ' CD1' HG11 ' A' ' 45' ' ' VAL . 97.8 mt -45.41 -28.53 0.89 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.113 . . . . 0.0 109.368 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.25 -66.36 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -56.74 -25.2 54.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.639 ' CE1' ' CZ2' ' A' ' 117' ' ' TRP . 0.4 OUTLIER -71.71 -47.93 50.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.555 1.159 . . . . 0.0 111.009 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -80.19 -0.2 35.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 109.253 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -88.89 1.51 55.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.604 1.19 . . . . 0.0 109.23 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.461 ' CD1' HG12 ' A' ' 67' ' ' VAL . 53.8 mt -74.75 156.53 86.52 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.102 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.174 0 O-C-N 124.438 1.757 . . . . 0.0 110.981 -179.977 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 111.045 -0.406 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.59 -24.52 56.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.978 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.559 ' CD1' HD23 ' A' ' 155' ' ' LEU . 43.0 p-90 -76.49 -21.59 55.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 108.005 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.6 -9.01 47.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 57.0 p -125.78 30.35 5.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.96 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 18.0 mt -123.39 120.63 60.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.573 1.171 . . . . 0.0 109.235 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.455 HD21 ' CB ' ' A' ' 176' ' ' ASN . 0.3 OUTLIER -137.17 149.12 47.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 109.242 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . 0.608 ' OE1' ' CD2' ' A' ' 144' ' ' TYR . 0.8 OUTLIER -73.67 127.22 32.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -92.28 134.68 12.34 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.465 1.103 . . . . 0.0 110.943 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.51 -42.78 44.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 0.754 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -100.61 38.8 1.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -128.54 161.26 58.11 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 110.258 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 104.48 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.562 1.822 . . . . 0.0 111.043 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' TYR . . . . . 0.608 ' CD2' ' OE1' ' A' ' 138' ' ' GLN . 0.5 OUTLIER -55.75 -62.99 1.32 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 111.032 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' HIS . . . . . 0.419 ' CD2' ' C ' ' A' ' 145' ' ' HIS . 1.2 t-160 -45.26 -44.95 11.7 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.57 1.169 . . . . 0.0 109.64 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -63.32 -50.88 68.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 109.249 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -53.38 -38.75 63.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 110.928 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.465 ' CG1' ' CD2' ' A' ' 195' ' ' LEU . 47.0 t -64.6 -58.46 7.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -48.13 -41.69 27.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 153' ' ' ILE . 0.4 OUTLIER -68.42 -58.64 4.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.277 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . 0.502 ' O ' ' CD1' ' A' ' 155' ' ' LEU . 0.2 OUTLIER -39.37 -32.76 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . 0.413 ' N ' ' C ' ' A' ' 150' ' ' ARG . 2.5 t30 -72.79 -53.99 10.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . 0.436 ' N ' ' O ' ' A' ' 150' ' ' ARG . 4.2 mt -59.74 -64.72 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.345 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -42.18 -37.19 1.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 0.559 HD23 ' CD1' ' A' ' 133' ' ' TRP . 4.1 mt -64.2 -65.58 0.66 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -49.06 -23.48 1.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.284 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.39 -25.99 68.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -148.52 43.34 0.81 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.483 1.115 . . . . 0.0 111.029 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -126.05 103.67 26.67 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.497 0.763 . . . . 0.0 109.348 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 141.31 26.29 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.483 1.781 . . . . 0.0 110.993 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -50.29 -28.11 7.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.363 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -60.95 -22.82 60.7 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.457 1.098 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -118.71 141.84 30.66 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.513 0.772 . . . . 0.0 110.409 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 143.8 29.68 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.468 1.773 . . . . 0.0 110.975 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 165' ' ' LYS . . . . . 0.43 ' CD ' ' C ' ' A' ' 165' ' ' LYS . 0.1 OUTLIER -117.44 -37.38 3.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . 0.51 ' N ' ' CD ' ' A' ' 167' ' ' PRO . 0.3 OUTLIER -41.54 -51.5 8.82 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.345 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 167' ' ' PRO . . . . . 0.51 ' CD ' ' N ' ' A' ' 166' ' ' ASP . 18.3 Cg_endo -75.03 -48.58 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.543 1.812 . . . . 0.0 110.995 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 168' ' ' ILE . . . . . 0.452 HG23 ' CD1' ' A' ' 172' ' ' LEU . 0.0 OUTLIER -50.52 -33.38 11.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 169' ' ' LEU . . . . . 0.44 ' CD1' ' HB3' ' A' ' 151' ' ' LEU . 34.5 tp -62.24 -66.51 0.53 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 24.2 ptt85 -54.83 -36.15 64.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.347 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 171' ' ' SER . . . . . 0.4 ' O ' ' OG ' ' A' ' 175' ' ' SER . 0.2 OUTLIER -69.79 -23.65 63.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.999 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.498 ' CD1' HD21 ' A' ' 155' ' ' LEU . 3.9 mt -84.29 -48.91 9.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 173' ' ' ALA . . . . . 0.44 ' O ' ' CB ' ' A' ' 177' ' ' ALA . . . -63.68 -13.14 40.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -103.7 -51.41 3.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 175' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 171' ' ' SER . 93.7 p -66.05 -36.3 82.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.018 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 176' ' ' ASN . . . . . 0.455 ' CB ' HD21 ' A' ' 137' ' ' LEU . 69.5 m-20 -113.15 61.09 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.359 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 177' ' ' ALA . . . . . 0.44 ' CB ' ' O ' ' A' ' 173' ' ' ALA . . . -129.23 138.69 51.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 178' ' ' ASN . . . . . 0.442 ' OD1' ' NE2' ' A' ' 138' ' ' GLN . 2.6 p-10 -52.14 -176.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.35 -55.32 5.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -52.7 -27.84 19.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.162 . . . . 0.0 110.291 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 181' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 184' ' ' LEU . 9.0 t -77.85 -65.53 0.96 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.55 1.156 . . . . 0.0 108.273 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . 0.455 ' O ' ' CG ' ' A' ' 186' ' ' GLN . 0.0 OUTLIER -47.79 -35.3 9.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.101 . . . . 0.0 110.254 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 183' ' ' LYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 187' ' ' ALA . 6.4 ttpt -70.53 -33.55 71.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.373 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 181' ' ' CYS . 4.2 tt -68.04 -56.42 8.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 9.7 mt -53.87 -58.16 8.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 186' ' ' GLN . . . . . 0.476 ' OE1' ' CG2' ' A' ' 191' ' ' THR . 4.5 mm100 -53.41 -53.41 51.59 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.479 1.112 . . . . 0.0 110.341 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 187' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 183' ' ' LYS . . . -53.04 -46.96 68.7 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.633 1.208 . . . . 0.0 109.309 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 188' ' ' ARG . . . . . 0.439 ' HG3' ' CD2' ' A' ' 184' ' ' LEU . 0.0 OUTLIER -59.87 -28.12 67.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 110.338 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 71.62 54.41 8.62 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.472 1.107 . . . . 0.0 111.032 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 190' ' ' HIS . . . . . 0.506 ' CG ' ' O ' ' A' ' 190' ' ' HIS . 2.2 p80 -153.89 36.0 0.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 0.764 . . . . 0.0 109.584 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 191' ' ' THR . . . . . 0.476 ' CG2' ' OE1' ' A' ' 186' ' ' GLN . 1.3 p -61.58 -49.98 74.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 110.432 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -83.08 58.41 4.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 193' ' ' SER . . . . . 0.535 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER -136.32 179.99 1.22 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.003 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . 0.535 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.1 Cg_endo -75.06 -174.96 2.14 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.494 1.786 . . . . 0.0 110.982 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 195' ' ' LEU . . . . . 0.465 ' CD2' ' CG1' ' A' ' 148' ' ' VAL . 14.5 tp -79.62 -40.61 28.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.416 1.072 . . . . 0.0 109.373 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -45.68 -43.92 11.83 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.467 1.105 . . . . 0.0 110.988 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 197' ' ' ASP . . . . . 0.492 ' HB3' ' CE1' ' A' ' 190' ' ' HIS . 5.8 t0 -66.38 -32.75 74.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 0.8 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 198' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 195' ' ' LEU . 42.1 ttm -61.36 -45.52 94.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.96 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 199' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -67.23 -23.59 65.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.346 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 200' ' ' ARG . . . . . 0.408 ' O ' ' CD ' ' A' ' 203' ' ' GLN . 7.3 mtp180 -84.02 -12.92 54.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.344 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -96.45 -43.21 7.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 202' ' ' CYS . . . . . . . . . . . . . 14.0 p -77.54 -15.56 59.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 108.385 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 203' ' ' GLN . . . . . 0.448 ' HG3' ' N ' ' A' ' 204' ' ' THR . 15.6 pt20 -41.72 -46.65 3.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.266 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 204' ' ' THR . . . . . 0.448 ' N ' ' HG3' ' A' ' 203' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.385 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.528 ' HE2' ' CE1' ' A' ' 48' ' ' PHE . 2.8 ttt . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.502 0.191 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' A' ' 19' ' ' ASP . 4.3 pm0 -81.17 148.26 29.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.9 tpt -46.29 -30.71 2.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 0.0 110.94 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.41 -37.21 82.64 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.567 1.167 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 16' ' ' GLN . 54.4 m-20 -63.14 -54.88 30.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.5 ' HB3' ' CE2' ' A' ' 61' ' ' TYR . 8.4 mt -56.7 -33.3 66.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -64.66 -53.1 52.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.03 -41.32 87.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.237 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 61.4 mt -56.2 -53.89 34.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.356 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.0 ttpp -54.01 -23.24 12.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.593 1.183 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -78.87 -69.96 0.53 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.608 1.193 . . . . 0.0 110.225 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.45 ' CD ' ' CG2' ' A' ' 40' ' ' THR . 2.7 pt-20 -48.69 -23.17 0.94 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.503 1.127 . . . . 0.0 110.249 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.9 t -79.83 -52.83 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.566 1.166 . . . . 0.0 109.352 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.28 -31.18 8.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.956 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -63.11 -45.59 91.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 110.289 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.436 ' HB2' ' CB ' ' A' ' 36' ' ' GLN . . . -53.33 174.76 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.93 162.73 23.02 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 81.54 2.2 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.488 1.783 . . . . 0.0 110.934 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 106.93 61.47 0.58 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.545 1.153 . . . . 0.0 110.967 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.69 161.09 51.17 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.403 0.708 . . . . 0.0 110.037 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 48.19 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.563 1.823 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.436 ' CB ' ' HB2' ' A' ' 30' ' ' ALA . 63.2 mm-40 -121.58 -64.77 1.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.423 ' CE1' HD12 ' A' ' 41' ' ' ILE . 2.6 t80 -47.85 -48.72 30.82 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.507 1.13 . . . . 0.0 110.934 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.409 ' CE ' HD23 ' A' ' 118' ' ' LEU . 10.6 tpt -55.1 -48.44 73.57 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.437 1.085 . . . . 0.0 110.972 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -55.06 -45.5 75.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 110.272 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.45 ' CG2' ' CD ' ' A' ' 26' ' ' GLU . 1.2 m -54.02 -32.29 53.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.361 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.472 HG21 ' CD2' ' A' ' 118' ' ' LEU . 3.1 mm -66.53 -56.18 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.413 ' CD ' HD11 ' A' ' 118' ' ' LEU . 0.1 OUTLIER -55.76 -34.85 65.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.327 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.22 -51.58 67.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.402 1.063 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.88 -36.57 83.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.4 t -67.85 -30.87 49.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -88.64 -6.64 57.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -84.4 -74.73 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.322 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.528 ' CE1' ' HE2' ' A' ' 15' ' ' MET . 1.2 p90 -114.94 -18.95 11.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 68.85 97.87 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.42 1.075 . . . . 0.0 109.395 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 123.66 8.06 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.499 1.789 . . . . 0.0 111.014 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 42.3 p -55.27 -169.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.396 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.42 -44.64 74.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.431 ' HD3' ' N ' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -60.21 -40.91 91.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.353 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.431 ' N ' ' HD3' ' A' ' 53' ' ' LYS . 87.0 m-20 -65.22 -36.43 84.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.354 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.573 HD22 ' CZ3' ' A' ' 117' ' ' TRP . 22.1 mt -69.43 -46.32 67.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -51.25 -50.35 59.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.589 1.18 . . . . 0.0 110.339 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.418 ' C ' ' N ' ' A' ' 59' ' ' LEU . 0.3 OUTLIER -70.56 -55.18 9.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 20.1 tp -45.42 -26.04 0.5 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.494 HD22 ' CD2' ' A' ' 71' ' ' HIS . 30.6 tp -75.89 -53.04 9.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -87.58 22.36 2.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 110.32 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.5 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 28.1 t80 -120.58 -34.97 3.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 110.986 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.1 mt -95.45 -63.16 1.19 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.333 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.42 ' SG ' ' O ' ' A' ' 59' ' ' LEU . 16.5 p -86.46 170.75 11.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.564 1.165 . . . . 0.0 108.355 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.5 m -81.54 -177.94 6.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.018 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 32.7 t -66.54 -37.7 85.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 110.017 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.6 tp -51.62 -68.18 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.4 t -52.05 -52.33 24.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.4 1.063 . . . . 0.0 109.281 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -44.32 -41.41 6.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.3 t -71.01 -41.33 71.04 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.461 1.1 . . . . 0.0 109.947 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 52.6 mt -58.39 -50.03 75.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.229 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.494 ' CD2' HD22 ' A' ' 59' ' ' LEU . 0.9 OUTLIER -61.59 -42.83 99.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.598 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.31 -23.85 25.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.56 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -80.02 -71.23 0.47 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.352 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -49.03 -41.09 33.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.337 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.483 HD11 ' CD1' ' A' ' 79' ' ' ILE . 1.3 tm? -62.89 -52.15 64.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -44.93 -35.54 2.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.16 . . . . 0.0 109.317 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.7 t -66.49 -45.32 80.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 110.024 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.511 ' HB3' ' CD1' ' A' ' 116' ' ' LEU . 11.0 mp -49.91 -51.77 38.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.483 ' CD1' HD11 ' A' ' 75' ' ' LEU . 1.2 mp -52.2 -54.76 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.086 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.408 ' O ' ' CB ' ' A' ' 84' ' ' THR . 0.2 OUTLIER -41.6 -31.9 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.0 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -76.61 -46.42 26.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.291 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 79' ' ' ILE . . . -62.24 -66.05 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -46.07 -38.28 7.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.337 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.408 ' CB ' ' O ' ' A' ' 80' ' ' SER . 1.4 m -62.55 -48.72 78.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.431 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.94 -3.9 28.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 84.02 -11.75 56.23 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.502 1.126 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.53 HD12 ' CG ' ' A' ' 90' ' ' TYR . 66.1 mt 63.9 157.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.552 0.795 . . . . 0.0 109.256 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.452 ' N ' HG22 ' A' ' 87' ' ' ILE . 1.2 t -42.32 -47.93 4.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 110.372 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -169.97 53.73 0.2 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.432 1.082 . . . . 0.0 111.034 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.53 ' CG ' HD12 ' A' ' 87' ' ' ILE . 30.4 t80 -78.42 154.43 30.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 0.786 . . . . 0.0 110.982 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -112.87 95.53 34.09 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.165 0 O-C-N 124.492 1.786 . . . . 0.0 111.012 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.883 0 N-CA-C 110.982 -0.43 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 47.6 tp -120.04 -52.46 2.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.248 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.96 -25.18 27.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.221 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 84.0 t -65.83 -43.66 93.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.423 ' OE1' ' N ' ' A' ' 100' ' ' GLN . 23.5 mp0 -74.99 -9.98 59.04 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.494 1.121 . . . . 0.0 110.351 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -114.89 15.21 17.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 56.3 m-20 -121.83 -0.75 9.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.449 1.093 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.411 ' ND2' ' HA ' ' A' ' 100' ' ' GLN . 10.8 p30 -105.23 124.22 37.19 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.358 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 48.92 2.11 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.437 1.756 . . . . 0.0 110.961 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -121.78 -56.71 1.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -98.11 95.83 7.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 110.358 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -75.2 -7.68 54.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.257 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -59.95 -57.97 16.58 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.53 1.144 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.3 mt -81.19 -31.58 33.92 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 0.767 . . . . 0.0 109.338 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.2 ttp85 -56.42 -50.6 71.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -70.37 -44.15 68.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 110.277 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -54.29 -44.83 72.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.236 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -61.78 -43.64 98.45 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.563 1.165 . . . . 0.0 111.039 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.56 -44.37 62.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.271 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 118' ' ' LEU . 0.8 OUTLIER -78.01 -62.59 1.62 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 0.0 110.36 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.511 ' CD1' ' HB3' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -40.4 -33.5 0.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.366 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.573 ' CZ3' HD22 ' A' ' 55' ' ' LEU . 65.7 t90 -72.31 -55.58 6.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 107.975 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.472 ' CD2' HG21 ' A' ' 41' ' ' ILE . 52.6 mt -51.0 -31.92 19.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.406 1.066 . . . . 0.0 109.238 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.69 -60.87 3.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.243 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.456 ' CB ' HD23 ' A' ' 75' ' ' LEU . . . -56.52 -29.37 61.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -76.58 -18.3 58.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.153 . . . . 0.0 111.088 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -109.14 3.95 22.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.28 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -95.8 -1.87 48.76 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.258 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 83.6 mt -69.02 147.72 97.75 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.368 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.195 0 O-C-N 124.467 1.772 . . . . 0.0 111.006 -179.956 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.902 0 N-CA-C 111.012 -0.418 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.41 -32.18 64.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.976 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.564 ' CD1' HD23 ' A' ' 155' ' ' LEU . 18.1 p-90 -74.63 -10.58 59.68 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.18 -11.06 47.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 109.238 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 26.4 t -133.59 33.51 3.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.005 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.401 ' CD1' ' HA ' ' A' ' 133' ' ' TRP . 60.7 mt -118.42 118.17 57.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.573 1.171 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.23 166.28 23.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . 0.548 ' HG3' ' CD1' ' A' ' 144' ' ' TYR . 10.7 tm0? -87.8 113.27 23.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -70.46 154.13 52.21 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.411 HD23 ' ND2' ' A' ' 178' ' ' ASN . 2.0 tm? -61.82 -39.48 91.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 0.763 . . . . 0.0 109.355 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -112.02 40.19 2.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 110.283 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -125.29 158.04 65.36 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.32 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 96.19 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.502 1.79 . . . . 0.0 110.972 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' TYR . . . . . 0.548 ' CD1' ' HG3' ' A' ' 138' ' ' GLN . 4.1 t80 -60.63 -44.39 96.41 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.444 1.09 . . . . 0.0 111.002 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' HIS . . . . . 0.477 ' CD2' ' C ' ' A' ' 145' ' ' HIS . 0.4 OUTLIER -55.08 -57.82 10.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 109.501 -179.915 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -56.01 -47.42 77.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.58 -43.56 62.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 111.062 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.405 ' CG2' ' O ' ' A' ' 144' ' ' TYR . 47.8 t -57.25 -44.31 83.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.616 1.197 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -56.79 -58.34 8.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.327 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.88 -47.87 79.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.36 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . 0.462 HD22 ' CB ' ' A' ' 172' ' ' LEU . 1.1 mt -43.71 -42.31 5.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -63.63 -47.98 79.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 4.4 mt -62.64 -69.36 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.446 1.091 . . . . 0.0 109.335 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -41.31 -31.71 0.25 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 0.564 HD23 ' CD1' ' A' ' 133' ' ' TRP . 7.1 mt -69.69 -60.77 2.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -50.15 -22.65 1.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -75.07 -29.81 60.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 155' ' ' LEU . . . -129.76 41.09 1.59 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.538 1.148 . . . . 0.0 111.05 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.457 ' CD2' ' O ' ' A' ' 158' ' ' GLY . 0.6 OUTLIER -133.49 119.73 15.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.428 0.722 . . . . 0.0 109.295 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -170.38 0.77 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.593 1.838 . . . . 0.0 111.059 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -91.0 -30.45 16.8 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.459 1.099 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -99.15 48.92 1.26 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.536 1.147 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' THR . . . . . 0.424 ' HA ' ' HD3' ' A' ' 164' ' ' PRO . 1.3 m -149.23 140.23 14.05 Favored Pre-proline 0 C--N 1.324 -0.541 0 O-C-N 124.489 0.758 . . . . 0.0 110.427 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 164' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 163' ' ' THR . 18.2 Cg_endo -75.04 131.69 14.53 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.67 -39.97 2.7 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.575 1.172 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . 0.521 ' CB ' ' HD3' ' A' ' 167' ' ' PRO . 0.4 OUTLIER -40.99 -53.64 6.07 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.259 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 167' ' ' PRO . . . . . 0.521 ' HD3' ' CB ' ' A' ' 166' ' ' ASP . 18.2 Cg_endo -74.97 -45.9 0.26 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.584 1.833 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 168' ' ' ILE . . . . . 0.432 ' CG2' HD21 ' A' ' 155' ' ' LEU . 0.0 OUTLIER -49.61 -52.83 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 169' ' ' LEU . . . . . 0.466 HD12 ' CD1' ' A' ' 155' ' ' LEU . 47.9 tp -52.36 -54.24 34.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . 0.471 ' HG3' ' CD1' ' A' ' 195' ' ' LEU . 0.6 OUTLIER -61.96 -14.62 36.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.3 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 171' ' ' SER . . . . . 0.52 ' O ' ' CB ' ' A' ' 175' ' ' SER . 0.3 OUTLIER -83.46 -35.24 25.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.58 1.175 . . . . 0.0 110.013 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.462 ' CB ' HD22 ' A' ' 151' ' ' LEU . 1.5 mt -84.51 -16.02 43.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -94.22 -29.35 15.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 174' ' ' TYR . . . . . 0.415 ' CD2' HD11 ' A' ' 185' ' ' LEU . 12.0 t80 -110.54 -64.49 1.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.986 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 175' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 171' ' ' SER . 0.1 OUTLIER -52.7 -20.74 3.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 110.029 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -126.06 60.59 1.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -132.53 143.14 49.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 178' ' ' ASN . . . . . 0.411 ' ND2' HD23 ' A' ' 140' ' ' LEU . 0.8 OUTLIER -54.15 -172.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.087 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -72.82 -68.52 0.48 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.09 -34.91 1.15 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.338 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 181' ' ' CYS . . . . . 0.443 ' SG ' ' CE2' ' A' ' 144' ' ' TYR . 15.6 t -65.92 -67.03 0.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 108.328 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . 0.45 ' O ' ' NE2' ' A' ' 186' ' ' GLN . 1.4 tt0 -53.28 -41.34 65.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.338 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.69 -37.13 85.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.252 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . 0.492 ' CD2' ' C ' ' A' ' 184' ' ' LEU . 3.6 tt -61.09 -60.86 3.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.59 1.181 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 185' ' ' LEU . . . . . 0.443 ' CD2' ' SD ' ' A' ' 198' ' ' MET . 6.5 mt -42.79 -42.2 3.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 186' ' ' GLN . . . . . 0.45 ' NE2' ' O ' ' A' ' 182' ' ' GLN . 0.8 OUTLIER -67.37 -59.55 3.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.273 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -50.2 -39.5 44.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 188' ' ' ARG . . . . . 0.412 ' HA ' ' NH1' ' A' ' 188' ' ' ARG . 0.0 OUTLIER -54.46 -53.66 51.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.219 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 114.12 34.33 1.66 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.498 1.123 . . . . 0.0 110.984 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 190' ' ' HIS . . . . . 0.488 ' ND1' ' O ' ' A' ' 190' ' ' HIS . 0.0 OUTLIER -167.54 118.3 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 0.798 . . . . 0.0 109.56 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 1.9 p -120.97 -52.04 2.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 110.386 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -88.6 45.94 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 193' ' ' SER . . . . . 0.514 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER -109.44 178.93 0.92 Allowed Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.46 1.1 . . . . 0.0 110.03 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . 0.514 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.1 Cg_endo -75.06 154.75 42.43 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.581 1.832 . . . . 0.0 110.935 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 195' ' ' LEU . . . . . 0.477 ' HG ' ' CD2' ' A' ' 199' ' ' LEU . 3.3 tp -50.58 -48.3 57.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.538 1.149 . . . . 0.0 109.357 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -43.51 -35.81 3.02 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.525 1.141 . . . . 0.0 111.021 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.19 -38.44 27.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 0.79 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 198' ' ' MET . . . . . 0.443 ' SD ' ' CD2' ' A' ' 185' ' ' LEU . 17.1 mmm -61.22 -39.17 89.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 110.96 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 199' ' ' LEU . . . . . 0.477 ' CD2' ' HG ' ' A' ' 195' ' ' LEU . 3.5 mm? -75.28 -30.14 60.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.404 1.065 . . . . 0.0 109.352 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 33.8 ttm180 -79.77 -6.54 57.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -95.99 -33.77 12.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.137 . . . . 0.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 202' ' ' CYS . . . . . . . . . . . . . 29.7 p -90.76 -16.78 27.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.165 . . . . 0.0 108.323 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -48.42 -23.19 0.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.427 1.079 . . . . 0.0 110.325 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.457 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.579 ' SD ' ' CE1' ' A' ' 48' ' ' PHE . 1.8 tpt . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.514 0.197 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -96.01 170.37 9.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 110.33 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.8 tpt -54.12 -39.32 66.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 111.014 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.7 ttpt -59.34 -45.35 91.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -57.18 -55.94 28.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.457 ' CD2' ' HE1' ' A' ' 15' ' ' MET . 26.0 mt -51.67 -40.12 59.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.245 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -60.99 -54.92 39.05 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.47 1.106 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.34 -39.83 64.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.454 ' CD1' ' HE1' ' A' ' 15' ' ' MET . 66.9 mt -57.37 -62.46 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.4 tttm -42.07 -32.33 0.45 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -72.38 -72.3 0.24 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 110.327 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.423 ' CG ' ' HA ' ' A' ' 23' ' ' ILE . 8.8 pt-20 -45.5 -25.62 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 110.325 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.1 t -76.82 -46.86 29.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.575 1.172 . . . . 0.0 109.334 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.5 t -46.86 -39.75 12.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.933 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -59.66 -38.39 81.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.472 ' CB ' ' HB3' ' A' ' 36' ' ' GLN . . . -68.96 177.37 2.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -129.22 162.04 54.8 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 63.27 6.03 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.452 1.764 . . . . 0.0 110.97 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 162.87 -33.04 0.3 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.17 142.23 92.54 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.464 0.743 . . . . 0.0 110.005 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 50.96 2.67 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.497 1.788 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.472 ' HB3' ' CB ' ' A' ' 30' ' ' ALA . 13.2 tp60 -120.89 -38.91 2.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.406 ' CE1' HD11 ' A' ' 41' ' ' ILE . 2.7 t80 -64.47 -64.72 0.81 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.449 1.093 . . . . 0.0 110.973 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.478 ' CE ' HD22 ' A' ' 118' ' ' LEU . 10.1 tpt -49.13 -46.4 44.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.102 . . . . 0.0 110.993 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -52.15 -43.71 64.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.108 . . . . 0.0 110.295 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.42 ' CG2' ' HG3' ' A' ' 26' ' ' GLU . 1.2 m -61.6 -27.17 68.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.357 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.437 HG13 ' CE1' ' A' ' 121' ' ' PHE . 5.7 mm -74.77 -33.07 29.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.9 mmm-85 -79.23 -25.3 42.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.375 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.25 -38.62 35.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.426 1.079 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.81 -41.04 79.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.426 1.079 . . . . 0.0 109.314 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.86 -33.59 60.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.425 1.078 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -89.04 -0.45 57.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.592 1.183 . . . . 0.0 110.312 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -89.87 -70.33 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 0.0 110.334 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.579 ' CE1' ' SD ' ' A' ' 15' ' ' MET . 3.9 p90 -114.52 -23.8 9.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.603 1.189 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 72.61 93.21 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 131.11 13.89 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.533 1.807 . . . . 0.0 111.048 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.444 ' N ' ' OD2' ' A' ' 54' ' ' ASP . 7.2 p -57.32 -168.23 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 110.48 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.01 -47.46 51.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.53 -31.38 71.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.113 . . . . 0.0 109.252 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.444 ' OD2' ' N ' ' A' ' 51' ' ' THR . 93.8 m-20 -66.96 -41.77 86.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.502 HD12 ' CG ' ' A' ' 117' ' ' TRP . 37.4 mt -61.65 -40.72 95.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.37 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.436 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 4.3 tp60 -57.23 -53.19 60.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.415 ' N ' ' HG3' ' A' ' 56' ' ' GLN . 66.6 t0 -64.51 -38.49 91.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.532 HD21 ' CH2' ' A' ' 117' ' ' TRP . 16.4 tp -64.57 -24.39 67.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.255 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.468 HD12 ' CB ' ' A' ' 63' ' ' CYS . 19.8 tp -70.98 -54.45 11.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.224 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -6.92 32.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 110.305 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -81.5 -54.21 5.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.972 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.8 mt -106.83 -61.56 1.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.468 ' CB ' HD12 ' A' ' 59' ' ' LEU . 4.0 m -52.23 117.0 2.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 108.28 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.43 ' O ' ' CB ' ' A' ' 68' ' ' ALA . 0.5 OUTLIER -57.46 -179.82 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 110.003 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.46 -50.96 67.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 109.995 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.7 tp -64.74 -55.89 17.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.411 HG12 ' CD1' ' A' ' 124' ' ' LEU . 2.4 t -51.57 -47.32 37.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 64' ' ' SER . . . -54.46 -39.59 67.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.352 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.0 m -63.16 -60.33 3.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.998 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.6 mt -51.08 -43.04 60.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.596 1.185 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.561 ' CE1' ' HB1' ' A' ' 120' ' ' ALA . 8.7 t-80 -60.49 -39.0 86.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.614 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -25.28 68.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.552 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -74.41 -54.68 7.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.271 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -53.72 -22.38 9.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.427 1.08 . . . . 0.0 110.27 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.482 ' CD1' ' CD2' ' A' ' 116' ' ' LEU . 0.2 OUTLIER -82.09 -60.28 2.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.376 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -40.51 -37.08 0.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.02 -45.53 26.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.008 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.495 ' HB3' ' CD1' ' A' ' 116' ' ' LEU . 1.3 mp -56.37 -59.91 4.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.363 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.436 HG13 ' CD1' ' A' ' 116' ' ' LEU . 1.4 mt -48.26 -50.58 11.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.415 1.072 . . . . 0.0 109.33 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.419 ' HA ' ' CG ' ' A' ' 83' ' ' GLU . 3.9 t -46.75 -32.14 3.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.96 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -69.55 -42.68 74.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.439 1.087 . . . . 0.0 110.271 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.0 -64.65 0.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.264 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.419 ' CG ' ' HA ' ' A' ' 80' ' ' SER . 0.0 OUTLIER -48.3 -27.37 2.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.341 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.2 m -69.39 -40.96 77.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.429 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -83.45 0.1 47.75 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.5 1.125 . . . . 0.0 110.267 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 84.58 -8.15 70.05 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.528 HD12 ' CG ' ' A' ' 90' ' ' TYR . 84.7 mt 60.14 152.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 109.34 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -43.1 -65.96 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.373 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -146.25 57.46 0.51 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.528 ' CG ' HD12 ' A' ' 87' ' ' ILE . 58.2 t80 -79.35 158.91 27.35 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.505 0.768 . . . . 0.0 111.027 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -113.72 93.91 30.58 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.26 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.404 ' HA ' ' CE2' ' A' ' 90' ' ' TYR . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.121 0 O-C-N 124.563 1.823 . . . . 0.0 110.963 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.419 ' CB ' HG23 ' A' ' 99' ' ' VAL . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.851 0 N-CA-C 110.978 -0.432 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.492 HD12 ' CE1' ' A' ' 90' ' ' TYR . 2.5 tp -121.04 -50.29 2.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -22.62 66.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.143 . . . . 0.0 110.335 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.419 HG23 ' CB ' ' A' ' 96' ' ' PRO . 61.4 t -69.87 -58.62 5.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.474 ' OE1' ' CD1' ' A' ' 90' ' ' TYR . 7.5 pt20 -70.17 -21.84 63.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.259 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -75.85 -4.41 40.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -97.55 -1.54 43.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.389 1.055 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.417 ' OD1' ' N ' ' A' ' 103' ' ' ASN . 0.7 OUTLIER -94.67 142.55 24.89 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -28.46 9.11 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.471 1.774 . . . . 0.0 111.022 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -50.72 -49.14 58.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.581 1.176 . . . . 0.0 110.316 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.4 ' O ' ' OE1' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -94.03 40.2 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 110.284 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -47.76 -23.71 0.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.332 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.04 -58.13 13.06 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.475 ' CD1' HG21 ' A' ' 87' ' ' ILE . 0.5 OUTLIER -58.55 -43.88 89.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 0.748 . . . . 0.0 109.335 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -45.34 -43.93 11.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.452 ' O ' ' CG ' ' A' ' 114' ' ' GLN . 0.5 OUTLIER -65.46 -52.58 52.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 110.379 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -45.22 -31.15 1.4 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -74.52 -41.46 60.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.493 ' HG3' ' N ' ' A' ' 115' ' ' GLN . 0.9 OUTLIER -61.04 -24.6 66.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.493 ' N ' ' HG3' ' A' ' 114' ' ' GLN . 0.0 OUTLIER -90.06 -59.05 2.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.354 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.542 ' CD2' ' N ' ' A' ' 117' ' ' TRP . 0.0 OUTLIER -52.08 -32.58 35.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.596 1.185 . . . . 0.0 109.318 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.713 ' CH2' ' CE2' ' A' ' 121' ' ' PHE . 73.8 t90 -73.34 -66.67 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 108.05 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.478 HD22 ' CE ' ' A' ' 38' ' ' MET . 21.0 mt -42.51 -34.5 0.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.59 -63.93 1.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.561 ' HB1' ' CE1' ' A' ' 71' ' ' HIS . . . -55.11 -24.89 28.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.713 ' CE2' ' CH2' ' A' ' 117' ' ' TRP . 2.1 t80 -75.13 -19.5 59.87 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -112.36 3.29 16.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.226 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -92.03 -3.33 55.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.411 ' CD1' HG12 ' A' ' 67' ' ' VAL . 76.6 mt -72.94 152.74 90.98 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.19 0 O-C-N 124.43 1.753 . . . . 0.0 111.0 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . 0.44 ' CB ' ' CE2' ' A' ' 133' ' ' TRP . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.914 0 N-CA-C 110.998 -0.424 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.74 -23.01 56.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.036 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.551 ' CD1' HD22 ' A' ' 155' ' ' LEU . 38.2 p-90 -76.38 -20.93 56.68 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.559 1.162 . . . . 0.0 107.993 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.28 -9.21 45.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.385 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.36 27.4 8.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 0.0 109.956 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 5.3 mt -121.73 120.67 62.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 109.255 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.406 ' O ' ' CZ ' ' A' ' 147' ' ' PHE . 0.8 OUTLIER -135.77 165.9 24.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 109.363 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . 0.417 ' OE1' ' CB ' ' A' ' 181' ' ' CYS . 1.5 tt0 -104.07 114.21 28.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.319 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -72.44 166.96 53.71 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.449 1.093 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.511 ' CD2' ' OD1' ' A' ' 178' ' ' ASN . 1.7 tm? -62.48 -40.82 97.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 0.75 . . . . 0.0 109.326 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -109.81 39.96 2.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -115.02 150.51 44.33 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 110.358 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 92.76 0.97 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.568 1.825 . . . . 0.0 111.024 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' TYR . . . . . 0.421 ' CE2' ' SG ' ' A' ' 181' ' ' CYS . 15.3 t80 -57.66 -54.64 44.63 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.409 1.068 . . . . 0.0 110.986 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -48.3 -49.55 33.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.603 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.11 -36.41 84.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.323 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . 0.406 ' CZ ' ' O ' ' A' ' 137' ' ' LEU . 0.1 OUTLIER -67.66 -41.86 83.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 91.5 t -55.55 -45.75 78.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.362 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.09 -56.77 17.51 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 153' ' ' ILE . 1.0 OUTLIER -55.89 -56.37 21.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.265 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . 0.488 ' O ' ' CD1' ' A' ' 155' ' ' LEU . 0.3 OUTLIER -39.87 -36.86 0.49 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.42 1.075 . . . . 0.0 109.338 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -65.88 -52.46 49.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . 0.442 ' N ' ' O ' ' A' ' 150' ' ' ARG . 3.2 mt -64.4 -66.88 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 O-C-N 124.593 1.183 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 153' ' ' ILE . . . -38.47 -31.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 0.551 HD22 ' CD1' ' A' ' 133' ' ' TRP . 1.8 mt -68.22 -61.81 1.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.408 1.068 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -50.96 -22.23 2.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.343 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -67.12 -24.37 65.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.595 1.184 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -145.41 39.08 1.19 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.476 1.11 . . . . 0.0 110.944 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.48 109.95 30.57 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.52 0.776 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 147.94 34.48 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.502 1.79 . . . . 0.0 111.021 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -12.84 24.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.355 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -81.24 -8.34 87.36 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.472 1.108 . . . . 0.0 110.959 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' THR . . . . . 0.43 ' HA ' ' HD3' ' A' ' 164' ' ' PRO . 1.2 m -129.23 141.42 41.74 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.468 0.746 . . . . 0.0 110.343 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 164' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 163' ' ' THR . 18.1 Cg_endo -75.01 138.02 22.47 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.496 1.787 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 165' ' ' LYS . . . . . 0.413 ' CD ' ' C ' ' A' ' 165' ' ' LYS . 0.1 OUTLIER -113.04 -32.37 6.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . 0.52 ' N ' ' CD ' ' A' ' 167' ' ' PRO . 0.4 OUTLIER -43.74 -51.21 17.15 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 167' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 166' ' ' ASP . 18.2 Cg_endo -75.01 -54.45 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.446 1.761 . . . . 0.0 110.986 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 168' ' ' ILE . . . . . 0.453 HG21 ' CD1' ' A' ' 172' ' ' LEU . 0.0 OUTLIER -41.41 -34.67 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 169' ' ' LEU . . . . . 0.506 HD11 ' CD1' ' A' ' 155' ' ' LEU . 15.8 tp -62.25 -65.17 0.73 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.155 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . 0.419 ' CG ' HD13 ' A' ' 195' ' ' LEU . 5.6 mtp180 -55.09 -33.15 62.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.324 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 171' ' ' SER . . . . . 0.421 ' O ' ' CB ' ' A' ' 175' ' ' SER . 0.1 OUTLIER -74.8 -19.66 60.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.034 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.485 ' CD1' HD23 ' A' ' 155' ' ' LEU . 3.1 mt -87.8 -68.58 0.75 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.463 1.102 . . . . 0.0 109.354 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 173' ' ' ALA . . . . . 0.493 ' O ' ' CB ' ' A' ' 177' ' ' ALA . . . -42.71 -32.99 0.65 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -81.5 -59.43 2.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.598 1.186 . . . . 0.0 110.981 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 175' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 171' ' ' SER . 36.8 m -50.42 -22.32 1.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.977 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 176' ' ' ASN . . . . . 0.408 ' O ' ' OD1' ' A' ' 176' ' ' ASN . 25.4 p30 -133.51 56.46 1.85 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 177' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 173' ' ' ALA . . . -114.07 61.43 0.66 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 178' ' ' ASN . . . . . 0.511 ' OD1' ' CD2' ' A' ' 140' ' ' LEU . 1.5 t-20 39.3 -158.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.8 -15.4 14.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 0.0 109.362 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -96.04 -41.43 8.75 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.509 1.13 . . . . 0.0 110.347 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 181' ' ' CYS . . . . . 0.421 ' SG ' ' CE2' ' A' ' 144' ' ' TYR . 29.2 t -64.66 -55.62 18.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.392 1.058 . . . . 0.0 108.295 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -49.99 -41.79 47.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.277 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 2.9 tmmm? -64.73 -53.13 51.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . 0.419 ' CD2' ' C ' ' A' ' 184' ' ' LEU . 4.3 tt -44.49 -38.72 4.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.351 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 3.0 mt -61.51 -63.79 1.16 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.542 1.151 . . . . 0.0 109.34 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 186' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.7 -51.78 46.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 110.311 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -57.99 -47.13 83.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -51.24 -39.8 57.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.4 1.062 . . . . 0.0 110.267 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 100.97 48.17 1.5 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 190' ' ' HIS . . . . . 0.576 ' CE1' ' HB3' ' A' ' 197' ' ' ASP . 0.0 OUTLIER -179.52 114.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 0.739 . . . . 0.0 109.542 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 1.2 p -121.23 -50.26 2.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.427 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 192' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 193' ' ' SER . 0.7 OUTLIER -72.98 -21.75 60.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.356 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 193' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 192' ' ' ASN . 0.1 OUTLIER -42.74 165.15 0.11 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.929 -179.884 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 163.98 34.13 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.492 1.785 . . . . 0.0 110.918 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 195' ' ' LEU . . . . . 0.443 ' CD2' HD23 ' A' ' 169' ' ' LEU . 1.9 tp -51.02 -44.61 61.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -42.53 -41.63 4.25 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 197' ' ' ASP . . . . . 0.576 ' HB3' ' CE1' ' A' ' 190' ' ' HIS . 0.3 OUTLIER -78.25 -41.25 34.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 0.741 . . . . 0.0 109.398 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 198' ' ' MET . . . . . 0.412 ' HA ' ' CE1' ' A' ' 190' ' ' HIS . 75.1 mtp -52.99 -51.57 61.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 199' ' ' LEU . . . . . 0.416 ' CD2' ' HG ' ' A' ' 195' ' ' LEU . 2.1 mm? -66.07 -32.23 73.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.94 -9.04 58.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -99.82 -43.77 6.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.112 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 202' ' ' CYS . . . . . . . . . . . . . 12.5 p -78.06 -9.52 59.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 108.277 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 203' ' ' GLN . . . . . 0.431 ' HG3' ' N ' ' A' ' 204' ' ' THR . 15.0 pt20 -53.03 -44.94 67.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.468 1.105 . . . . 0.0 110.27 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 204' ' ' THR . . . . . 0.431 ' N ' ' HG3' ' A' ' 203' ' ' GLN . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.55 1.156 . . . . 0.0 110.431 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.596 ' SD ' ' CZ ' ' A' ' 48' ' ' PHE . 1.2 tpt . . . . . 0 N--CA 1.451 -0.381 0 CA-C-O 120.59 0.234 . . . . 0.0 111.055 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.7 pm0 -96.56 166.45 11.67 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.385 1.053 . . . . 0.0 110.281 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.408 ' O ' ' N ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -48.15 -40.02 22.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.969 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.8 ttpt -50.93 -48.04 60.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.25 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.437 ' OD2' ' CE2' ' A' ' 48' ' ' PHE . 4.5 m-20 -60.17 -57.13 14.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.595 ' O ' ' CE1' ' A' ' 61' ' ' TYR . 11.3 mt -55.98 -25.55 44.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.313 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 17' ' ' MET . 0.3 OUTLIER -74.47 -54.59 7.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.421 1.076 . . . . 0.0 110.258 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.03 -36.58 70.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.255 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.0 mt -60.87 -47.63 92.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.8 ttpp -54.02 -29.85 45.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -73.2 -68.53 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -50.19 -24.57 2.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.342 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.445 HG22 ' CG2' ' A' ' 40' ' ' THR . 5.0 t -81.12 -47.8 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.1 t -47.1 -26.33 1.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.928 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.83 -40.08 66.05 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.578 1.174 . . . . 0.0 110.343 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.464 ' CB ' ' HB3' ' A' ' 36' ' ' GLN . . . -46.46 167.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.351 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -109.86 168.0 8.29 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 110.24 3.08 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.501 1.79 . . . . 0.0 111.067 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 72.71 49.08 19.55 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.562 1.164 . . . . 0.0 110.991 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 35.6 m -134.6 154.22 79.47 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.588 0.816 . . . . 0.0 110.042 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 51.05 2.69 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.576 1.83 . . . . 0.0 111.025 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.464 ' HB3' ' CB ' ' A' ' 30' ' ' ALA . 1.0 OUTLIER -121.25 -52.61 2.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.41 1.069 . . . . 0.0 110.333 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.498 ' CE1' HD12 ' A' ' 41' ' ' ILE . 2.2 t80 -62.47 -60.59 3.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.446 ' CE ' HD21 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -49.35 -39.54 32.18 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.479 1.112 . . . . 0.0 111.023 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -57.55 -43.45 84.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.087 . . . . 0.0 110.304 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.445 ' CG2' HG22 ' A' ' 27' ' ' VAL . 1.1 m -62.81 -26.26 68.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.15 . . . . 0.0 110.391 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.498 HD12 ' CE1' ' A' ' 37' ' ' PHE . 18.8 mm -68.45 -53.0 31.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.417 1.073 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -27.73 68.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.405 ' O ' ' CG ' ' A' ' 47' ' ' GLN . 0.2 OUTLIER -67.82 -43.39 79.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.76 -38.38 83.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -67.59 -32.86 58.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 109.356 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -89.18 -5.61 57.57 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.462 1.101 . . . . 0.0 110.299 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.405 ' CG ' ' O ' ' A' ' 43' ' ' LEU . 3.2 mm-40 -85.04 -75.33 0.36 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.596 ' CZ ' ' SD ' ' A' ' 15' ' ' MET . 3.5 p90 -114.34 -10.45 12.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 111.021 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.445 ' OD1' ' NE2' ' A' ' 114' ' ' GLN . 10.9 t0 59.91 94.29 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.09 . . . . 0.0 109.285 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 159.6 41.37 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.502 1.791 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 61.2 p -94.58 -174.93 3.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.581 1.175 . . . . 0.0 110.406 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.81 -50.56 73.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.428 ' HD3' ' N ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -57.68 -37.31 73.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.428 ' N ' ' HD3' ' A' ' 53' ' ' LYS . 79.9 m-20 -70.24 -38.4 75.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.423 1.077 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.454 HD12 ' CG ' ' A' ' 117' ' ' TRP . 21.8 mt -66.63 -41.25 88.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -56.33 -55.85 28.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.095 . . . . 0.0 110.314 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -62.37 -39.74 94.16 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 13.0 tp -59.31 -36.18 75.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.554 HD21 ' CD2' ' A' ' 71' ' ' HIS . 24.9 tp -65.94 -32.43 73.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.46 2.29 56.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.599 1.187 . . . . 0.0 110.255 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.595 ' CE1' ' O ' ' A' ' 20' ' ' LEU . 1.6 t80 -98.06 -49.98 4.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 111.055 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 42.9 mt -105.18 -59.8 1.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 1.7 m -55.68 137.01 50.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.105 . . . . 0.0 108.314 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.55 176.51 9.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 110.048 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 9.8 m -60.49 -61.03 2.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.999 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.5 tp -51.94 -44.91 64.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.343 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.3 t -61.94 -58.19 8.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -45.27 -35.68 3.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.3 m -69.9 -50.87 38.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.021 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.44 ' O ' ' NE2' ' A' ' 74' ' ' GLN . 19.6 mt -55.77 -48.36 75.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.554 ' CD2' HD21 ' A' ' 59' ' ' LEU . 0.1 OUTLIER -59.83 -38.14 81.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 109.606 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -57.68 -34.5 69.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.647 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -67.54 -46.52 72.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.274 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.44 ' NE2' ' O ' ' A' ' 70' ' ' LEU . 3.9 mt-30 -65.19 -51.16 62.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 110.231 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.455 ' O ' ' CD1' ' A' ' 79' ' ' ILE . 0.2 OUTLIER -53.03 -34.68 57.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.359 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -60.26 -62.44 1.87 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.67 -33.47 68.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.069 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.468 HD22 ' CB ' ' A' ' 116' ' ' LEU . 1.4 tp -62.57 -52.04 64.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.395 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.455 ' CD1' ' O ' ' A' ' 75' ' ' LEU . 0.9 OUTLIER -57.46 -61.33 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.28 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.439 ' O ' ' CB ' ' A' ' 84' ' ' THR . 5.5 m -45.36 -27.11 0.63 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.957 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -73.31 -43.06 61.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.374 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.472 ' HB2' ' CD1' ' A' ' 87' ' ' ILE . . . -62.71 -58.75 6.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.578 1.173 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -55.44 -39.47 70.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.276 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.439 ' CB ' ' O ' ' A' ' 80' ' ' SER . 3.2 m -64.4 -48.72 74.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 110.418 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.63 0.22 21.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 110.27 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 72.2 94.25 0.08 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.547 1.155 . . . . 0.0 111.021 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.481 HG23 ' CD1' ' A' ' 109' ' ' LEU . 48.1 mt -60.8 166.58 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.553 0.796 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.449 ' OG1' ' N ' ' A' ' 89' ' ' GLY . 65.5 p -47.02 -96.64 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 110.393 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.449 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -121.83 59.65 0.57 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.491 1.119 . . . . 0.0 110.939 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -81.82 147.46 29.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 111.022 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -111.41 98.27 39.49 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.574 1.171 . . . . 0.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.101 0 O-C-N 124.523 1.802 . . . . 0.0 111.035 -179.993 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.434 ' CB ' HG21 ' A' ' 99' ' ' VAL . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.867 0 N-CA-C 110.97 -0.435 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.8 tp -120.2 -45.1 2.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.448 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 0.0 OUTLIER -65.08 -29.51 70.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 110.242 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.434 HG21 ' CB ' ' A' ' 96' ' ' PRO . 76.7 t -60.55 -40.49 84.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -75.91 -30.76 58.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 110.301 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -70.12 -45.7 66.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 98' ' ' ARG . 22.4 p30 -92.57 31.28 1.37 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -98.92 131.99 24.5 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 48.9 2.1 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.502 1.79 . . . . 0.0 111.03 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -154.58 -45.67 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.29 117.99 22.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -112.19 -24.97 9.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -65.78 -58.51 9.01 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.543 1.152 . . . . 0.0 111.075 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.481 ' CD1' HG23 ' A' ' 87' ' ' ILE . 0.3 OUTLIER -67.12 -45.9 75.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 0.776 . . . . 0.0 109.382 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -43.99 -38.72 3.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.409 ' C ' ' N ' ' A' ' 113' ' ' TYR . 6.9 mtt180 -78.03 -63.34 1.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 113' ' ' TYR . 0.0 OUTLIER -43.24 -27.08 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.331 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.426 ' N ' ' HG3' ' A' ' 112' ' ' GLU . 12.8 t80 -77.57 -53.45 7.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.959 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.445 ' NE2' ' OD1' ' A' ' 49' ' ' ASP . 44.3 mt-30 -43.99 -40.67 4.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 110.358 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.15 -60.5 2.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.322 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.468 ' CB ' HD22 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -41.83 -36.27 1.0 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.791 ' CZ2' ' CE1' ' A' ' 121' ' ' PHE . 70.2 t90 -65.94 -60.7 2.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 107.944 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.446 HD21 ' CE ' ' A' ' 38' ' ' MET . 67.5 mt -49.43 -32.45 11.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -57.1 -60.82 3.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.44 ' HB1' ' CD2' ' A' ' 75' ' ' LEU . . . -49.22 -47.65 46.11 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.428 1.08 . . . . 0.0 109.264 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.791 ' CE1' ' CZ2' ' A' ' 117' ' ' TRP . 1.2 m-85 -55.98 -41.28 74.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.975 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -86.59 6.74 29.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.557 1.161 . . . . 0.0 109.384 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -102.77 0.76 33.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 88.6 mt -76.53 151.99 83.17 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.088 0 O-C-N 124.524 1.802 . . . . 0.0 110.914 -179.934 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.91 0 N-CA-C 110.983 -0.43 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.99 -16.06 61.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.611 1.194 . . . . 0.0 110.01 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.534 ' HA ' ' CG1' ' A' ' 136' ' ' ILE . 42.9 p-90 -78.26 -17.17 57.03 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -80.36 2.98 22.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -117.97 14.36 14.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.045 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.534 ' CG1' ' HA ' ' A' ' 133' ' ' TRP . 2.0 mm -98.55 117.08 42.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.357 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -136.33 107.54 6.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 6.3 tm0? -60.06 109.84 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -65.5 161.47 42.43 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.483 1.114 . . . . 0.0 111.042 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.421 ' N ' ' OD1' ' A' ' 178' ' ' ASN . 2.4 tm? -60.23 -41.45 93.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.761 . . . . 0.0 109.252 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -111.17 39.97 2.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -113.61 156.01 44.11 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 91.14 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.519 1.799 . . . . 0.0 110.962 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' TYR . . . . . 0.597 ' CD2' ' SG ' ' A' ' 202' ' ' CYS . 52.9 t80 -52.75 -48.84 66.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 111.02 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' HIS . . . . . 0.416 ' CD2' ' C ' ' A' ' 145' ' ' HIS . 1.1 t-160 -52.75 -46.23 67.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.608 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -60.8 -45.42 94.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.084 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -55.65 -48.58 74.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 13.8 t -53.21 -42.63 47.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.99 -57.22 13.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.336 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.03 -14.42 35.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.429 1.08 . . . . 0.0 110.342 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . 0.435 ' CD1' ' HB3' ' A' ' 172' ' ' LEU . 3.2 mt -78.46 -44.71 23.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.347 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . 0.449 ' ND2' ' HZ1' ' A' ' 165' ' ' LYS . 25.4 t-20 -63.84 -28.77 70.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . 0.458 ' O ' ' N ' ' A' ' 156' ' ' ASP . 4.3 mt -84.41 -58.77 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -48.98 -30.84 6.5 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.479 1.112 . . . . 0.0 109.259 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 0.509 HD22 ' CG ' ' A' ' 133' ' ' TRP . 17.6 mt -82.89 -29.91 28.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.368 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 153' ' ' ILE . 0.2 OUTLIER -71.33 -6.32 39.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 109.366 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 16.0 m-20 -117.76 -38.93 3.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -90.58 -41.27 5.46 Favored Glycine 0 CA--C 1.528 0.896 0 O-C-N 124.501 1.126 . . . . 0.0 111.039 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 155' ' ' LEU . 0.2 OUTLIER -79.01 114.57 45.44 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.473 0.749 . . . . 0.0 109.316 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 150.89 38.91 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.475 1.776 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -57.32 -27.39 62.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 110.263 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -65.94 -19.53 67.78 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.49 1.118 . . . . 0.0 110.994 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 163' ' ' THR . . . . . 0.432 HG23 ' CD1' ' A' ' 159' ' ' LEU . 1.3 m -115.28 141.32 26.97 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.516 0.774 . . . . 0.0 110.395 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 120.55 6.12 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.498 1.788 . . . . 0.0 111.056 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 165' ' ' LYS . . . . . 0.455 ' CD ' ' C ' ' A' ' 165' ' ' LYS . 0.0 OUTLIER -98.01 -31.03 12.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.341 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . 0.498 ' N ' ' CD ' ' A' ' 167' ' ' PRO . 0.1 OUTLIER -40.68 -52.29 6.45 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.436 1.085 . . . . 0.0 109.288 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 167' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 166' ' ' ASP . 18.3 Cg_endo -74.96 -57.48 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.512 1.796 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 168' ' ' ILE . . . . . 0.474 ' CG2' HD23 ' A' ' 155' ' ' LEU . 0.0 OUTLIER -45.8 -26.02 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 169' ' ' LEU . . . . . 0.469 HD22 ' CD2' ' A' ' 195' ' ' LEU . 24.9 tp -65.62 -66.99 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.602 1.189 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 17.9 ptt180 -57.38 -30.21 64.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.04 -25.16 58.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.085 . . . . 0.0 110.0 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.435 ' HB3' ' CD1' ' A' ' 151' ' ' LEU . 1.0 OUTLIER -80.27 -49.12 12.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.85 -14.44 62.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -97.23 -62.99 1.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 33.5 t -57.33 -55.6 32.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.991 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -84.93 52.48 2.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -129.44 140.44 51.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.285 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 178' ' ' ASN . . . . . 0.421 ' OD1' ' N ' ' A' ' 140' ' ' LEU . 0.7 OUTLIER -52.93 -175.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.425 1.078 . . . . 0.0 109.332 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.93 -61.5 1.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -43.54 -36.48 2.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 181' ' ' CYS . . . . . 0.424 ' O ' ' N ' ' A' ' 184' ' ' LEU . 12.2 t -69.45 -69.84 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 108.286 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -45.82 -40.92 10.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 5.0 mtpp -62.96 -38.56 91.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.257 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 181' ' ' CYS . 2.1 tt -59.93 -54.17 49.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 185' ' ' LEU . . . . . 0.54 ' CD2' ' NE2' ' A' ' 190' ' ' HIS . 43.7 mt -54.71 -56.65 16.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 186' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -49.94 -44.11 50.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.281 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -65.31 -25.06 67.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 109.34 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 188' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 185' ' ' LEU . 0.3 OUTLIER -87.0 -9.72 54.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.273 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 53.97 46.11 69.86 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 190' ' ' HIS . . . . . 0.553 ' CG ' ' O ' ' A' ' 190' ' ' HIS . 0.1 OUTLIER -147.03 28.35 1.02 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 0.731 . . . . 0.0 109.622 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 191' ' ' THR . . . . . 0.455 ' C ' ' O ' ' A' ' 190' ' ' HIS . 1.2 p -33.12 -49.31 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.442 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 192' ' ' ASN . . . . . 0.441 ' O ' ' O ' ' A' ' 193' ' ' SER . 12.7 m120 -83.5 -109.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.335 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 193' ' ' SER . . . . . 0.529 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.2 OUTLIER 49.01 179.52 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.944 179.931 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . 0.529 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.3 Cg_endo -74.96 170.87 19.45 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.567 1.825 . . . . 0.0 110.964 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 195' ' ' LEU . . . . . 0.469 ' CD2' HD22 ' A' ' 169' ' ' LEU . 13.3 tp -70.28 -35.95 74.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -47.46 -37.73 12.91 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.439 1.087 . . . . 0.0 111.044 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 197' ' ' ASP . . . . . 0.468 ' HB3' ' CE1' ' A' ' 190' ' ' HIS . 17.8 t0 -77.96 -36.14 49.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 0.742 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 198' ' ' MET . . . . . 0.422 ' HA ' ' CE1' ' A' ' 190' ' ' HIS . 75.3 mmm -54.85 -47.52 74.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 199' ' ' LEU . . . . . 0.456 ' CD2' ' HG ' ' A' ' 195' ' ' LEU . 2.3 mm? -71.76 -30.05 65.15 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.539 1.15 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.19 -5.98 47.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.342 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -102.63 -28.9 11.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 202' ' ' CYS . . . . . 0.597 ' SG ' ' CD2' ' A' ' 144' ' ' TYR . 0.1 OUTLIER -94.56 -12.0 28.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.092 . . . . 0.0 108.258 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -55.09 -18.15 5.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 110.314 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.32 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.588 ' SD ' ' CZ ' ' A' ' 48' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.526 0.203 . . . . 0.0 110.988 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.426 ' OE1' ' N ' ' A' ' 16' ' ' GLN . 15.3 pm0 -104.12 162.25 13.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 110.341 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.1 mmt -47.47 -31.03 3.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.94 -46.79 81.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 109.366 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.499 ' OD2' ' CE2' ' A' ' 48' ' ' PHE . 55.5 m-20 -60.7 -59.94 4.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.456 ' CD2' HD13 ' A' ' 58' ' ' LEU . 62.3 mt -47.19 -34.39 6.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.21 -60.19 2.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.336 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.46 -40.71 62.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.44 ' CG2' HD13 ' A' ' 62' ' ' LEU . 34.3 mt -56.37 -51.53 63.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.357 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -50.13 -31.47 13.57 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.479 1.112 . . . . 0.0 109.247 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -72.72 -72.3 0.25 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 110.241 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -45.22 -30.83 1.29 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.281 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.434 ' O ' ' N ' ' A' ' 30' ' ' ALA . 31.4 t -74.21 -51.27 24.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -43.33 -29.72 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.022 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -68.39 -46.3 70.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.265 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.476 ' CB ' ' HB3' ' A' ' 36' ' ' GLN . . . -46.77 166.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -105.19 163.02 18.0 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 108.89 2.82 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.484 1.781 . . . . 0.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.26 42.71 10.25 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 59.6 p -130.14 153.36 81.11 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.551 0.794 . . . . 0.0 110.0 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 49.57 2.28 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.476 ' HB3' ' CB ' ' A' ' 30' ' ' ALA . 1.4 tp60 -121.39 -47.11 2.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.248 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -61.17 -56.55 19.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 111.027 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.5 -49.18 62.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 111.07 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -49.08 -47.13 45.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.4 HG23 ' CG2' ' A' ' 27' ' ' VAL . 2.9 m -56.7 -32.06 65.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.441 1.088 . . . . 0.0 110.41 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.6 mm -68.34 -40.32 82.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -66.66 -22.44 66.1 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.566 1.167 . . . . 0.0 110.371 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.08 -50.42 13.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.95 -34.89 79.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.438 HG11 ' CD1' ' A' ' 118' ' ' LEU . 1.2 t -72.0 -26.11 24.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.42 1.075 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -95.79 -2.45 47.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -90.84 -68.32 0.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.282 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.588 ' CZ ' ' SD ' ' A' ' 15' ' ' MET . 3.5 p90 -115.44 -30.83 6.11 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.551 1.157 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.47 ' CB ' ' O ' ' A' ' 48' ' ' PHE . 0.9 OUTLIER 79.49 96.1 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.446 1.091 . . . . 0.0 109.344 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.441 ' O ' ' NE2' ' A' ' 114' ' ' GLN . 18.3 Cg_endo -74.98 123.56 7.98 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.533 1.807 . . . . 0.0 111.032 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 26.0 p -59.54 -176.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.407 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.419 ' HB3' ' CZ ' ' A' ' 113' ' ' TYR . . . -58.81 -46.55 87.36 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.454 1.096 . . . . 0.0 109.255 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -56.12 26.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.598 1.186 . . . . 0.0 109.247 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -52.5 -37.3 57.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.582 ' CD1' ' CG ' ' A' ' 117' ' ' TRP . 13.8 mt -65.42 -42.35 92.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.7 -54.71 38.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.135 . . . . 0.0 110.262 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -64.82 -46.26 82.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.081 . . . . 0.0 109.252 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.456 HD13 ' CD2' ' A' ' 20' ' ' LEU . 15.9 tp -50.38 -32.83 18.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.419 HD21 ' CD2' ' A' ' 71' ' ' HIS . 32.9 tp -70.59 -42.44 71.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -83.81 7.55 17.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.255 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -101.97 -54.41 2.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 111.085 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.44 HD13 ' CG2' ' A' ' 23' ' ' ILE . 53.8 mt -98.19 -57.69 2.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 109.239 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.501 ' SG ' ' CG1' ' A' ' 67' ' ' VAL . 1.2 m -57.89 164.57 2.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 108.323 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.487 ' O ' ' CB ' ' A' ' 68' ' ' ALA . 15.6 m -99.03 -175.44 3.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.059 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.53 -52.62 30.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.038 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.7 tp -65.77 -55.95 14.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.438 1.086 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.501 ' CG1' ' SG ' ' A' ' 63' ' ' CYS . 1.0 OUTLIER -51.26 -40.01 22.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.314 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.487 ' CB ' ' O ' ' A' ' 64' ' ' SER . . . -57.24 -60.19 3.99 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 109.241 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 58.3 p -49.67 -42.75 46.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.07 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.3 mt -51.74 -44.28 63.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.429 ' CE1' ' CD1' ' A' ' 117' ' ' TRP . 1.0 OUTLIER -70.99 -37.21 72.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.55 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 25.1 m80 -52.12 -44.83 64.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.592 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.2 tm0? -65.81 -56.0 14.2 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.12 . . . . 0.0 110.283 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.492 ' OE1' ' CB ' ' A' ' 123' ' ' ALA . 43.3 mt-30 -53.61 -27.95 29.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.299 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.492 HD21 ' CB ' ' A' ' 120' ' ' ALA . 0.1 OUTLIER -70.04 -54.36 13.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -53.27 -20.95 4.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.3 m -72.88 -55.54 6.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.045 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.477 ' CD2' ' O ' ' A' ' 74' ' ' GLN . 0.1 OUTLIER -66.11 -47.84 72.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 109.293 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 29.5 mm -48.75 -38.1 9.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 0.0 109.326 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.6 t -71.78 -35.6 70.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 110.065 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -62.31 -43.44 98.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.613 1.196 . . . . 0.0 110.307 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.3 -63.6 1.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.257 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -49.66 -36.54 25.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 110.269 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.8 m -62.36 -44.92 95.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.429 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 6.4 mpt_? -77.8 -1.75 33.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.308 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.17 -8.97 59.23 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.596 1.185 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.444 ' HB ' ' CB ' ' A' ' 90' ' ' TYR . 32.8 mt 58.82 157.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 O-C-N 124.458 0.74 . . . . 0.0 109.309 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.479 ' HG1' ' N ' ' A' ' 89' ' ' GLY . 0.0 OUTLIER -42.34 -73.53 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.53 1.144 . . . . 0.0 110.367 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.479 ' N ' ' HG1' ' A' ' 88' ' ' THR . . . -139.16 57.77 0.62 Allowed Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.505 1.128 . . . . 0.0 111.056 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.444 ' CB ' ' HB ' ' A' ' 87' ' ' ILE . 10.2 t80 -79.49 151.31 30.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 0.767 . . . . 0.0 111.021 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.421 ' OD1' ' N ' ' A' ' 91' ' ' ASN . 0.1 OUTLIER -115.25 129.67 24.9 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.201 0 O-C-N 124.491 1.785 . . . . 0.0 110.98 -179.954 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.454 -0.823 0 N-CA-C 110.922 -0.453 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.9 tp -47.6 -44.34 26.39 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.553 1.158 . . . . 0.0 109.258 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -48.11 -41.23 25.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 110.312 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 42.6 t -66.56 -34.99 73.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -68.51 -36.28 78.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -75.39 -28.54 59.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -61.44 -24.59 66.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -84.37 129.16 58.92 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.404 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -15.56 20.78 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.494 1.786 . . . . 0.0 110.95 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -57.21 -55.59 32.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.32 62.31 4.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -55.92 -27.97 54.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.27 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -58.1 -57.13 21.42 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.583 1.177 . . . . 0.0 110.977 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.418 ' HG ' ' CG2' ' A' ' 87' ' ' ILE . 0.5 OUTLIER -71.92 -27.5 62.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 0.767 . . . . 0.0 109.357 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.18 -58.64 7.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.34 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.431 ' NH1' ' OE1' ' A' ' 115' ' ' GLN . 0.0 OUTLIER -61.02 -44.85 96.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.43 1.081 . . . . 0.0 110.308 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -54.56 -48.22 72.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 110.282 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.419 ' CZ ' ' HB3' ' A' ' 52' ' ' ALA . 1.9 t80 -65.65 -43.73 88.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' A' ' 50' ' ' PRO . 19.4 mm100 -55.62 -49.45 72.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.264 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.431 ' OE1' ' NH1' ' A' ' 111' ' ' ARG . 3.8 tt0 -69.42 -47.77 63.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.459 1.1 . . . . 0.0 110.257 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.506 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 0.2 OUTLIER -51.16 -47.37 62.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.798 ' CZ2' ' CE1' ' A' ' 121' ' ' PHE . 86.1 t90 -54.35 -53.96 46.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 107.99 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.438 ' CD1' HG11 ' A' ' 45' ' ' VAL . 78.2 mt -55.21 -21.6 14.52 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 116' ' ' LEU . . . -68.19 -63.4 1.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.492 ' CB ' HD21 ' A' ' 75' ' ' LEU . . . -55.93 -31.96 63.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.404 1.065 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.798 ' CE1' ' CZ2' ' A' ' 117' ' ' TRP . 0.2 OUTLIER -63.54 -42.31 98.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 111.039 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -93.78 6.49 48.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.492 ' CB ' ' OE1' ' A' ' 74' ' ' GLN . . . -94.66 0.12 54.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 59.0 mt -73.13 155.22 90.33 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.325 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.548 1.815 . . . . 0.0 111.021 179.97 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.454 -0.839 0 N-CA-C 110.982 -0.43 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 6.1 m -71.76 -23.88 61.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.422 1.076 . . . . 0.0 110.009 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.508 ' CG ' HD22 ' A' ' 155' ' ' LEU . 23.3 p-90 -73.69 -27.1 61.05 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.6 -13.66 54.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.345 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 24.4 m -120.96 29.39 7.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.428 1.08 . . . . 0.0 110.042 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 9.4 mt -123.01 120.87 61.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.352 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.458 HD22 ' CB ' ' A' ' 176' ' ' ASN . 0.8 OUTLIER -136.36 141.18 43.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.437 1.086 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . 0.498 ' CG ' ' HA ' ' A' ' 144' ' ' TYR . 0.2 OUTLIER -81.86 114.58 20.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . 0.451 ' N ' ' OE1' ' A' ' 138' ' ' GLN . . . -71.12 154.04 51.61 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.488 1.117 . . . . 0.0 110.948 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -64.95 -27.53 68.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 0.73 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -113.44 40.67 2.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.298 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.14 156.27 76.99 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.272 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 110.32 3.09 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.489 1.784 . . . . 0.0 111.065 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' TYR . . . . . 0.498 ' HA ' ' CG ' ' A' ' 138' ' ' GLN . 14.1 t80 -68.71 -43.97 74.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.455 1.097 . . . . 0.0 111.032 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' HIS . . . . . 0.444 ' CD2' ' C ' ' A' ' 145' ' ' HIS . 1.1 t-160 -52.12 -54.76 26.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 109.631 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -58.56 -37.49 75.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.263 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.12 -51.38 68.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 111.019 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.403 ' CG2' ' CE1' ' A' ' 144' ' ' TYR . 33.2 t -49.04 -34.82 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.353 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -67.36 -54.73 17.95 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -34.7 72.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.579 1.175 . . . . 0.0 110.335 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.28 -38.93 81.39 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 109.303 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 33.2 t-20 -65.95 -54.22 29.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 2.1 mp -52.53 -53.61 19.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -59.04 -23.18 61.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 0.528 ' O ' ' CB ' ' A' ' 159' ' ' LEU . 20.2 mt -90.06 -3.74 57.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -102.22 -12.38 18.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -109.72 -12.15 14.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -123.86 -43.59 0.33 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.528 ' CB ' ' O ' ' A' ' 155' ' ' LEU . 0.2 OUTLIER -79.48 114.52 46.08 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.554 0.796 . . . . 0.0 109.324 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -178.54 4.24 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.469 1.773 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.48 -26.75 24.47 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -70.92 -13.5 72.42 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.579 1.174 . . . . 0.0 111.012 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 3.5 m -111.95 145.37 32.6 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.507 0.769 . . . . 0.0 110.384 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 110.95 3.21 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.439 1.757 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 165' ' ' LYS . . . . . 0.501 ' CD ' ' C ' ' A' ' 165' ' ' LYS . 0.0 OUTLIER -98.9 -23.6 15.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . 0.509 ' CB ' ' HD3' ' A' ' 167' ' ' PRO . 0.3 OUTLIER -51.45 -52.95 54.97 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 167' ' ' PRO . . . . . 0.509 ' HD3' ' CB ' ' A' ' 166' ' ' ASP . 18.4 Cg_endo -74.98 -48.93 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.464 1.77 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 168' ' ' ILE . . . . . 0.464 ' CG2' HD23 ' A' ' 155' ' ' LEU . 0.0 OUTLIER -48.52 -39.62 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.567 1.167 . . . . 0.0 109.387 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 169' ' ' LEU . . . . . 0.47 ' CD2' HD23 ' A' ' 195' ' ' LEU . 13.4 tp -59.36 -61.96 2.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . 0.5 ' CZ ' ' O ' ' A' ' 191' ' ' THR . 32.2 ttp85 -53.44 -40.74 65.42 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.451 1.095 . . . . 0.0 110.307 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.04 -33.18 73.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.986 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 10.5 mt -78.53 -38.65 39.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -78.72 0.05 28.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -111.66 -67.67 0.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 111.037 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 2.3 m -45.0 -65.08 0.58 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.944 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 176' ' ' ASN . . . . . 0.458 ' CB ' HD22 ' A' ' 137' ' ' LEU . 7.2 p30 -91.03 65.16 5.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.245 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 177' ' ' ALA . . . . . 0.422 ' O ' ' O ' ' A' ' 178' ' ' ASN . . . -130.77 63.61 1.58 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.624 1.202 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 178' ' ' ASN . . . . . 0.422 ' O ' ' O ' ' A' ' 177' ' ' ALA . 0.0 OUTLIER 41.09 -162.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.084 . . . . 0.0 109.336 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 6.5 ttpt -111.13 -15.38 13.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 109.335 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.02 -43.97 13.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 181' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 184' ' ' LEU . 7.4 t -64.28 -59.94 3.78 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.508 1.13 . . . . 0.0 108.305 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.75 -45.07 7.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.278 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 8.3 ttpp -72.63 -32.36 65.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . 0.474 ' CD2' ' HG3' ' A' ' 188' ' ' ARG . 0.9 OUTLIER -60.4 -49.36 77.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 185' ' ' LEU . . . . . 0.464 ' CD2' ' SD ' ' A' ' 198' ' ' MET . 17.2 mt -56.91 -58.34 8.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 186' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -52.28 -42.57 63.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.141 . . . . 0.0 110.326 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -63.81 -25.72 68.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 188' ' ' ARG . . . . . 0.474 ' HG3' ' CD2' ' A' ' 184' ' ' LEU . 0.0 OUTLIER -86.0 -20.01 29.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 110.278 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 62.52 56.64 20.4 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.525 1.141 . . . . 0.0 111.007 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 190' ' ' HIS . . . . . 0.584 ' CG ' ' O ' ' A' ' 190' ' ' HIS . 1.2 p80 -157.92 39.35 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 0.726 . . . . 0.0 109.609 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 191' ' ' THR . . . . . 0.5 ' O ' ' CZ ' ' A' ' 170' ' ' ARG . 0.9 OUTLIER -64.39 -46.53 82.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 110.434 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -82.29 57.86 3.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.389 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 193' ' ' SER . . . . . 0.545 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER -133.37 -179.0 0.95 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.618 1.199 . . . . 0.0 110.023 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . 0.545 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.4 Cg_endo -74.95 -179.73 5.26 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.467 1.772 . . . . 0.0 111.019 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 195' ' ' LEU . . . . . 0.47 HD23 ' CD2' ' A' ' 169' ' ' LEU . 6.6 tp -74.78 -52.41 11.53 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.495 1.122 . . . . 0.0 109.36 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -43.35 -44.55 6.36 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.445 1.091 . . . . 0.0 111.044 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 197' ' ' ASP . . . . . 0.447 ' HB3' ' CE1' ' A' ' 190' ' ' HIS . 0.2 OUTLIER -64.05 -37.45 87.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 0.783 . . . . 0.0 109.328 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 198' ' ' MET . . . . . 0.464 ' SD ' ' CD2' ' A' ' 185' ' ' LEU . 2.8 mmm -67.69 -38.48 83.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.422 1.076 . . . . 0.0 111.026 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 199' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -70.25 -16.82 63.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -88.2 -23.33 23.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.613 1.196 . . . . 0.0 110.293 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -83.48 -39.8 20.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.349 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 202' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 204' ' ' THR . 0.1 OUTLIER -83.83 -16.43 44.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 108.344 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 203' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 202' ' ' CYS . 8.8 pt20 -38.41 -29.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 110.268 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 204' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 202' ' ' CYS . 1.5 t . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.321 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.569 ' HG3' ' CZ ' ' A' ' 48' ' ' PHE . 1.2 ttt . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.524 0.202 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.419 ' HG3' ' CG ' ' A' ' 18' ' ' LYS . 5.7 pt20 -136.24 -171.54 2.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.307 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -71.39 -61.26 1.83 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 111.04 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.419 ' CG ' ' HG3' ' A' ' 16' ' ' GLN . 4.7 pttt -45.99 -41.72 12.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.559 1.162 . . . . 0.0 109.283 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -53.57 -48.2 69.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 109.35 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.461 HD21 ' CE ' ' A' ' 15' ' ' MET . 27.0 mt -64.18 -31.4 72.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.44 -50.13 60.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 110.27 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.65 -47.14 86.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.425 ' HA ' ' CG ' ' A' ' 26' ' ' GLU . 69.7 mt -52.69 -51.09 38.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.69 -33.23 21.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.32 -71.92 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.265 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.425 ' CG ' ' HA ' ' A' ' 23' ' ' ILE . 4.8 pt-20 -45.33 -28.15 0.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.36 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.487 ' O ' ' CB ' ' A' ' 30' ' ' ALA . 10.2 t -77.73 -47.65 25.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.7 p -46.22 -49.68 16.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.95 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -54.93 -33.39 62.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.436 1.085 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.487 ' CB ' ' O ' ' A' ' 27' ' ' VAL . . . -47.84 166.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.36 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -108.14 164.51 14.61 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 115.1 4.18 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.516 1.798 . . . . 0.0 110.988 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 70.19 34.25 69.6 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.488 1.118 . . . . 0.0 111.003 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.5 t -118.13 150.95 48.48 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.556 0.797 . . . . 0.0 110.033 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 50.27 2.47 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.512 1.796 . . . . 0.0 110.976 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -121.32 -46.94 2.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.158 . . . . 0.0 110.322 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.407 ' N ' ' HB2' ' A' ' 30' ' ' ALA . 0.8 OUTLIER -65.98 -66.83 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 111.044 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.463 ' CE ' HD21 ' A' ' 118' ' ' LEU . 6.2 tpt -47.69 -41.23 22.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.579 1.174 . . . . 0.0 111.017 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -55.46 -42.96 75.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.272 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -64.69 -23.42 67.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.335 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 19.7 mm -72.9 -52.72 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.92 -34.24 65.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.343 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.82 -51.16 68.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.367 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.4 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . . . -65.58 -33.72 76.58 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.38 1.05 . . . . 0.0 109.189 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.429 HG12 ' CD1' ' A' ' 118' ' ' LEU . 2.1 t -69.08 -30.21 45.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.75 -2.15 56.22 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -87.45 -68.53 0.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.575 1.172 . . . . 0.0 110.292 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.569 ' CZ ' ' HG3' ' A' ' 15' ' ' MET . 1.5 p90 -114.34 -27.56 7.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.965 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 48' ' ' PHE . 1.7 m-20 76.13 93.24 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 126.39 9.95 Favored 'Trans proline' 0 C--N 1.359 1.087 0 O-C-N 124.534 1.807 . . . . 0.0 110.971 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.6 p -61.44 -167.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 110.385 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.51 -38.6 81.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 109.367 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' A' ' 56' ' ' GLN . 4.9 mttp -63.1 -65.16 0.73 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.413 1.07 . . . . 0.0 109.234 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -45.89 -42.41 12.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 109.275 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.5 HD23 ' CE2' ' A' ' 117' ' ' TRP . 12.8 mt -60.55 -41.96 95.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.565 1.165 . . . . 0.0 109.336 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -53.04 -54.07 40.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.25 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 60' ' ' GLN . 17.9 t0 -65.79 -55.72 15.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 31.9 tp -43.11 -36.53 1.69 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.426 1.078 . . . . 0.0 109.302 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.407 ' O ' ' SG ' ' A' ' 63' ' ' CYS . 33.3 tp -65.02 -47.99 75.5 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.61 1.193 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -87.79 18.26 4.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -111.65 -31.04 7.12 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.543 1.152 . . . . 0.0 111.061 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 63.8 mt -102.09 -62.37 1.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 59' ' ' LEU . 13.6 p -86.12 171.75 11.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 108.3 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.0 m -90.95 176.14 6.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.971 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.1 m -53.81 -44.04 69.86 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.579 1.174 . . . . 0.0 110.048 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.5 tp -45.25 -71.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.443 HG12 ' CD1' ' A' ' 124' ' ' LEU . 3.5 t -50.51 -50.77 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.516 ' O ' ' CG ' ' A' ' 72' ' ' HIS . . . -43.77 -35.76 2.01 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.553 1.158 . . . . 0.0 109.264 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.6 m -78.65 -47.67 16.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 109.996 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.443 ' O ' ' NE2' ' A' ' 74' ' ' GLN . 94.6 mt -51.24 -45.54 62.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.508 ' CD2' ' C ' ' A' ' 71' ' ' HIS . 0.2 OUTLIER -67.34 -37.77 83.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 109.603 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.516 ' CG ' ' O ' ' A' ' 68' ' ' ALA . 52.7 m170 -56.67 -21.06 24.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.642 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -87.79 -71.99 0.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.326 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.443 ' NE2' ' O ' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -46.88 -32.55 3.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.319 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.463 ' CD2' ' HG ' ' A' ' 116' ' ' LEU . 2.1 tm? -76.25 -42.0 47.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -59.28 -53.01 63.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.9 t -52.8 -52.38 57.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.052 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 19.1 tp -51.06 -52.31 44.55 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.572 1.17 . . . . 0.0 109.246 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.46 HD12 ' CD1' ' A' ' 75' ' ' LEU . 0.1 OUTLIER -52.52 -43.79 43.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.56 -36.47 45.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.018 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -67.76 -35.41 78.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.287 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.15 -59.82 3.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.147 . . . . 0.0 109.328 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -51.03 -39.53 56.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.249 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.8 m -57.4 -47.01 82.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.423 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.13 -1.67 27.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 110.345 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.47 -6.84 63.16 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.451 1.094 . . . . 0.0 111.023 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 37.7 mt 56.35 167.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.777 . . . . 0.0 109.367 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.413 ' OG1' ' N ' ' A' ' 89' ' ' GLY . 62.7 p -44.63 -76.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.592 1.183 . . . . 0.0 110.384 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.413 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -138.17 53.6 0.71 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.461 1.101 . . . . 0.0 111.04 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.506 ' CD1' ' OE1' ' A' ' 100' ' ' GLN . 77.0 t80 -81.19 144.89 31.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 0.736 . . . . 0.0 110.959 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -111.31 102.16 52.33 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.199 0 O-C-N 124.438 1.757 . . . . 0.0 111.015 -179.998 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 N--CA 1.453 -0.867 0 N-CA-C 111.029 -0.412 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 14.6 tp -120.15 -52.43 2.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.34 -25.16 48.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.247 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 89.1 t -66.14 -45.01 91.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.506 ' OE1' ' CD1' ' A' ' 90' ' ' TYR . 77.2 mt-30 -71.37 -23.7 61.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 0.0 110.335 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.443 ' CB ' ' CD2' ' A' ' 113' ' ' TYR . . . -76.94 -25.88 53.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -113.14 33.17 5.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.145 . . . . 0.0 109.28 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -98.75 132.3 24.11 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 49.16 2.2 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.539 1.81 . . . . 0.0 110.952 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -165.83 -41.55 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.272 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -79.65 54.75 1.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.02 -24.98 63.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 110.32 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.25 -56.46 20.09 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.515 1.134 . . . . 0.0 111.023 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.32 -30.25 61.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.586 0.815 . . . . 0.0 109.343 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.44 -55.15 37.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.272 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.49 -45.54 90.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -53.35 -51.03 63.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.443 ' CD2' ' CB ' ' A' ' 101' ' ' ALA . 4.7 t80 -53.83 -39.9 65.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 110.953 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 29.7 tp60 -55.14 -50.87 68.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.21 -57.9 4.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 110.335 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.463 ' HG ' ' CD2' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -41.57 -42.91 2.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.5 ' CE2' HD23 ' A' ' 55' ' ' LEU . 88.2 t90 -60.07 -54.97 39.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 108.01 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.463 HD21 ' CE ' ' A' ' 38' ' ' MET . 50.4 mt -53.11 -28.32 24.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.436 1.085 . . . . 0.0 109.348 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -59.79 -63.26 1.37 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.439 ' CB ' ' HG3' ' A' ' 74' ' ' GLN . . . -54.91 -38.5 67.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.93 -30.64 71.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 111.021 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -99.12 6.47 46.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -101.83 1.37 37.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.443 ' CD1' HG12 ' A' ' 67' ' ' VAL . 81.4 mt -74.18 154.86 88.38 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.55 1.816 . . . . 0.0 111.007 179.995 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . 0.481 ' CB ' ' CE2' ' A' ' 133' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.841 0 N-CA-C 110.95 -0.442 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.94 -23.12 52.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.987 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.511 ' CD1' ' CD2' ' A' ' 155' ' ' LEU . 12.6 p-90 -75.76 -13.29 60.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 0.0 107.937 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.24 -10.45 54.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.07 31.83 4.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 110.003 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 32.7 mt -123.12 120.91 61.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.52 149.8 34.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . 0.461 ' NE2' ' O ' ' A' ' 139' ' ' GLY . 2.8 tp60 -67.28 114.31 5.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.261 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . 0.461 ' O ' ' NE2' ' A' ' 138' ' ' GLN . . . -76.7 158.14 48.29 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.432 1.082 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -62.68 -35.17 78.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.765 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -114.94 40.75 2.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.261 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -132.35 155.77 80.89 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 109.88 3.01 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.453 1.765 . . . . 0.0 111.037 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' TYR . . . . . 0.592 ' CE1' ' SG ' ' A' ' 202' ' ' CYS . 2.6 t80 -66.55 -45.17 80.25 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.546 1.154 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' HIS . . . . . 0.499 ' CD2' ' C ' ' A' ' 145' ' ' HIS . 0.2 OUTLIER -58.64 -58.12 9.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.565 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -52.57 -36.89 56.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.6 -56.69 18.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 21.5 t -44.81 -39.8 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -58.27 -59.83 4.71 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.58 1.175 . . . . 0.0 110.261 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -57.01 -44.06 82.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.089 . . . . 0.0 110.297 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . 0.475 ' HB3' ' CD1' ' A' ' 169' ' ' LEU . 1.8 mt -46.87 -43.51 18.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -65.36 -34.02 77.34 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . 0.448 ' N ' ' O ' ' A' ' 150' ' ' ARG . 17.1 mt -69.02 -61.86 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -54.78 -20.41 8.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.245 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 0.511 ' CD2' ' CD1' ' A' ' 133' ' ' TRP . 21.1 mt -90.18 -23.26 21.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 153' ' ' ILE . 30.7 t70 -88.01 -8.06 56.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 29.7 m-20 -115.12 -7.64 12.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.437 1.086 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -128.14 -43.32 0.23 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.526 1.141 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.496 ' CB ' ' O ' ' A' ' 155' ' ' LEU . 0.2 OUTLIER -79.93 115.18 52.27 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.453 0.737 . . . . 0.0 109.262 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -171.11 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.535 1.808 . . . . 0.0 111.006 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -89.34 -43.27 11.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 110.266 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -51.59 -28.8 23.06 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.506 1.129 . . . . 0.0 111.023 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 1.5 m -100.96 144.01 27.72 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.449 0.735 . . . . 0.0 110.396 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 116.62 4.64 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.499 1.789 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 165' ' ' LYS . . . . . 0.478 ' CD ' ' C ' ' A' ' 165' ' ' LYS . 0.1 OUTLIER -102.56 -18.62 15.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 109.346 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . 0.554 ' N ' ' CD ' ' A' ' 167' ' ' PRO . 0.0 OUTLIER -57.39 -49.78 91.9 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.318 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 167' ' ' PRO . . . . . 0.554 ' CD ' ' N ' ' A' ' 166' ' ' ASP . 18.1 Cg_endo -75.08 -45.65 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.41 1.742 . . . . 0.0 110.949 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 168' ' ' ILE . . . . . 0.401 ' CG2' HD22 ' A' ' 155' ' ' LEU . 0.3 OUTLIER -53.65 -46.84 61.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 169' ' ' LEU . . . . . 0.475 ' CD1' ' HB3' ' A' ' 151' ' ' LEU . 53.9 tp -54.52 -56.77 15.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.578 1.174 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 10.5 mtt180 -58.97 -15.94 15.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 110.281 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 171' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 175' ' ' SER . 0.2 OUTLIER -83.8 -38.94 20.62 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.557 1.161 . . . . 0.0 110.008 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.47 ' CD1' HD12 ' A' ' 155' ' ' LEU . 0.9 OUTLIER -81.99 -17.88 45.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.437 1.086 . . . . 0.0 109.278 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -83.99 -30.61 26.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 174' ' ' TYR . . . . . 0.431 ' O ' ' NE2' ' A' ' 182' ' ' GLN . 13.6 t80 -117.02 -69.91 0.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.942 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 175' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 171' ' ' SER . 0.2 OUTLIER -41.57 -30.28 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.949 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -118.46 61.63 0.78 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 177' ' ' ALA . . . . . 0.413 ' O ' ' O ' ' A' ' 178' ' ' ASN . . . -139.73 158.36 44.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 178' ' ' ASN . . . . . 0.413 ' O ' ' O ' ' A' ' 177' ' ' ALA . 44.2 p-10 -57.52 -160.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.258 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.21 -45.29 7.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.575 1.172 . . . . 0.0 109.3 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.26 -42.56 41.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 181' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 184' ' ' LEU . 71.7 m -76.23 -66.35 0.81 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.495 1.122 . . . . 0.0 108.268 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . 0.452 ' O ' ' NE2' ' A' ' 186' ' ' GLN . 3.5 mt-30 -40.58 -37.18 0.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.235 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 11.0 ttpp -72.24 -47.16 52.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . 0.516 ' CD2' ' C ' ' A' ' 184' ' ' LEU . 2.9 tt -57.91 -49.95 74.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 185' ' ' LEU . . . . . 0.535 ' CD2' ' NE2' ' A' ' 190' ' ' HIS . 3.6 mt -48.92 -55.73 10.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.255 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 186' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' A' ' 189' ' ' GLY . 0.4 OUTLIER -59.46 -58.66 7.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.447 1.092 . . . . 0.0 110.302 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -46.75 -31.72 3.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.75 -37.67 76.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.403 1.065 . . . . 0.0 110.275 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 189' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 186' ' ' GLN . . . 75.94 62.13 2.71 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.513 1.133 . . . . 0.0 111.074 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 190' ' ' HIS . . . . . 0.535 ' NE2' ' CD2' ' A' ' 185' ' ' LEU . 1.4 p80 -156.32 23.83 0.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 0.739 . . . . 0.0 109.571 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -50.14 -47.24 54.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.364 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -86.85 62.3 7.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 193' ' ' SER . . . . . 0.417 ' OG ' ' ND1' ' A' ' 190' ' ' HIS . 1.0 OUTLIER -144.68 173.24 4.53 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.01 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . 0.402 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.1 Cg_endo -75.04 174.03 13.5 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.495 1.787 . . . . 0.0 110.927 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 195' ' ' LEU . . . . . 0.469 ' HG ' ' CD2' ' A' ' 199' ' ' LEU . 6.3 tp -65.24 -39.41 92.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -42.26 -35.28 1.77 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.452 1.095 . . . . 0.0 110.983 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 197' ' ' ASP . . . . . 0.489 ' HB3' ' CE1' ' A' ' 190' ' ' HIS . 10.6 t0 -84.58 -36.88 21.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.764 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 198' ' ' MET . . . . . 0.453 ' SD ' ' CD2' ' A' ' 185' ' ' LEU . 65.1 mmm -54.45 -37.15 64.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 111.029 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 199' ' ' LEU . . . . . 0.469 ' CD2' ' HG ' ' A' ' 195' ' ' LEU . 3.6 mm? -83.2 -35.76 25.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.615 1.197 . . . . 0.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.47 -5.16 30.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -103.79 -36.65 7.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 202' ' ' CYS . . . . . 0.592 ' SG ' ' CE1' ' A' ' 144' ' ' TYR . 11.1 m -84.83 -13.27 51.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 108.331 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -58.52 -30.14 66.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.336 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.376 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.585 ' CE ' ' CD2' ' A' ' 20' ' ' LEU . 2.2 ttt . . . . . 0 N--CA 1.454 -0.254 0 CA-C-O 120.539 0.209 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 -79.91 156.68 27.17 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.463 1.102 . . . . 0.0 110.298 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.47 -37.19 3.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.172 . . . . 0.0 110.922 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.2 ttpt -54.83 -47.49 74.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -56.79 -58.74 6.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.585 ' CD2' ' CE ' ' A' ' 15' ' ' MET . 6.0 mt -53.11 -39.27 63.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -58.82 6.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.79 -38.33 64.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.147 . . . . 0.0 109.264 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 37.5 mt -57.34 -53.36 44.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.149 . . . . 0.0 109.338 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -48.56 -32.38 7.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.346 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.64 -70.95 0.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.446 ' CD ' ' CG2' ' A' ' 40' ' ' THR . 12.7 pt-20 -46.58 -27.33 1.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 110.319 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.539 HG13 ' CD1' ' A' ' 37' ' ' PHE . 23.9 t -79.07 -51.96 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.257 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.5 p -46.93 -27.23 1.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 109.959 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -72.21 -46.83 54.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.268 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.463 ' CB ' ' HB3' ' A' ' 36' ' ' GLN . . . -44.84 167.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -98.93 163.03 19.57 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 126.17 9.84 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.564 1.823 . . . . 0.0 111.02 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.32 43.59 97.2 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.434 1.084 . . . . 0.0 111.042 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.6 m -129.1 156.65 77.86 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.455 0.738 . . . . 0.0 110.036 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 49.32 2.23 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.49 1.784 . . . . 0.0 110.96 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.463 ' HB3' ' CB ' ' A' ' 30' ' ' ALA . 9.7 tp60 -121.68 -52.94 2.0 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.535 1.147 . . . . 0.0 110.271 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.539 ' CD1' HG13 ' A' ' 27' ' ' VAL . 3.5 t80 -60.05 -59.13 5.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 0.0 110.989 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.464 ' CE ' HD22 ' A' ' 118' ' ' LEU . 4.1 tpt -48.33 -40.61 25.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -58.19 -41.66 84.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.446 ' CG2' ' CD ' ' A' ' 26' ' ' GLU . 29.1 m -63.46 -24.49 67.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.356 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.519 HD11 ' CE1' ' A' ' 37' ' ' PHE . 16.6 mm -71.5 -39.38 70.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.409 ' O ' ' CB ' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -70.47 -33.34 71.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 0.0 110.354 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.435 ' O ' ' CG ' ' A' ' 47' ' ' GLN . 54.7 tp -65.14 -32.44 74.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -85.5 -44.15 12.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.464 HG13 ' CD1' ' A' ' 118' ' ' LEU . 0.3 OUTLIER -68.84 -8.5 10.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.3 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.409 ' CB ' ' O ' ' A' ' 42' ' ' ARG . 1.2 tt0 -110.62 -27.79 8.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 110.352 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.435 ' CG ' ' O ' ' A' ' 43' ' ' LEU . 26.8 mt-30 -66.64 -65.44 0.68 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 110.319 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.562 ' CE1' ' HG3' ' A' ' 15' ' ' MET . 17.5 p90 -113.82 -30.45 6.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.168 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 74.32 96.1 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.439 ' CD ' ' HA ' ' A' ' 45' ' ' VAL . 18.2 Cg_endo -74.98 148.67 35.69 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.49 1.784 . . . . 0.0 110.991 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.3 p -82.71 -176.27 6.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.365 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.401 ' HB2' ' CZ ' ' A' ' 113' ' ' TYR . . . -52.68 -50.7 62.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -56.5 -57.47 12.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.405 ' HB3' ' CB ' ' A' ' 50' ' ' PRO . 90.4 m-20 -50.46 -37.1 36.52 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.557 1.161 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.48 HD22 ' CZ3' ' A' ' 117' ' ' TRP . 13.0 mt -67.31 -45.93 75.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.221 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -56.46 -52.7 63.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.349 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -64.26 -41.26 97.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 19.3 tp -62.46 -24.27 67.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.351 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.403 HD23 ' CD2' ' A' ' 71' ' ' HIS . 32.2 tp -71.43 -43.53 66.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -79.9 -21.25 44.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.584 1.178 . . . . 0.0 110.28 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -66.18 -57.84 6.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 111.033 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 23.1 mt -98.89 -67.37 0.85 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.347 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.476 ' SG ' ' CG1' ' A' ' 67' ' ' VAL . 0.8 OUTLIER -49.65 148.27 3.06 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.461 1.1 . . . . 0.0 108.289 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.4 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.5 OUTLIER -86.28 156.98 20.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.013 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.464 ' O ' ' CB ' ' A' ' 68' ' ' ALA . 0.5 OUTLIER -39.71 -75.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.047 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.1 tp -44.52 -64.41 0.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.328 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.476 ' CG1' ' SG ' ' A' ' 63' ' ' CYS . 1.2 t -41.23 -32.87 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.464 ' CB ' ' O ' ' A' ' 65' ' ' SER . . . -68.03 -64.11 0.93 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 59.6 p -42.87 -37.1 1.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.995 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.452 ' O ' ' NE2' ' A' ' 74' ' ' GLN . 14.0 mt -62.55 -47.52 83.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.345 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.588 ' CE1' ' CD1' ' A' ' 117' ' ' TRP . 3.4 t60 -63.65 -36.69 84.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.601 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 38.7 m80 -52.72 -49.44 65.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.589 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.46 -37.89 87.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.452 ' NE2' ' O ' ' A' ' 70' ' ' LEU . 5.6 mt-30 -58.02 -51.47 69.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.366 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.429 ' CD2' ' HG ' ' A' ' 116' ' ' LEU . 3.0 mt -66.31 -36.56 83.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -60.57 -37.13 80.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 42.2 t -81.03 -40.65 23.91 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.423 1.077 . . . . 0.0 110.025 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.2 tp -59.35 -61.86 2.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.224 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 2.5 mt -56.07 -43.81 76.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.3 m -48.75 -31.79 7.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.955 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -76.97 -34.16 57.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 110.265 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.451 ' HB3' ' CD1' ' A' ' 87' ' ' ILE . . . -66.55 -60.28 2.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.31 -28.65 55.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.288 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.9 m -76.01 -47.76 23.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 110.46 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -77.12 -1.31 28.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.113 . . . . 0.0 110.296 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 76.42 96.05 0.17 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.524 1.14 . . . . 0.0 110.972 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.451 ' CD1' ' HB3' ' A' ' 82' ' ' ALA . 32.4 mt -64.63 155.01 6.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.753 . . . . 0.0 109.307 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.448 ' OG1' ' N ' ' A' ' 89' ' ' GLY . 0.1 OUTLIER -35.3 -83.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.534 1.146 . . . . 0.0 110.424 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.448 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -129.47 58.81 0.7 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.436 1.085 . . . . 0.0 111.014 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.415 ' CB ' ' HB ' ' A' ' 87' ' ' ILE . 12.3 t80 -81.34 152.48 27.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 0.761 . . . . 0.0 111.074 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -108.35 127.26 27.84 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.432 1.083 . . . . 0.0 109.266 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.18 0 O-C-N 124.465 1.771 . . . . 0.0 110.996 179.943 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.897 0 N-CA-C 110.995 -0.425 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.401 ' O ' ' N ' ' A' ' 100' ' ' GLN . 0.3 OUTLIER -47.45 -37.96 12.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.539 1.149 . . . . 0.0 109.321 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.458 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 25.8 ptt180 -48.55 -37.84 18.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.272 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.434 ' N ' ' HG3' ' A' ' 98' ' ' ARG . 37.2 t -64.45 -34.95 72.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.35 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 97' ' ' LEU . 44.4 mt-30 -72.4 -42.67 64.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.421 1.076 . . . . 0.0 110.273 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.1 -24.51 66.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.272 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 98' ' ' ARG . 28.0 p30 -118.69 32.78 5.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.401 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 5.9 m-20 -102.49 137.61 19.43 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 48.86 2.09 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.483 1.781 . . . . 0.0 111.032 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.435 ' CG ' ' N ' ' A' ' 106' ' ' GLN . 8.4 pt20 -156.76 -43.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.266 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.435 ' N ' ' CG ' ' A' ' 105' ' ' GLN . 13.2 mm100 -79.63 116.43 19.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 0.0 110.266 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -114.69 -33.38 5.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -67.9 -55.74 13.04 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.554 1.159 . . . . 0.0 111.013 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.74 -36.09 81.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 0.756 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.51 -48.65 62.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.301 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -70.04 -59.77 2.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.365 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 113' ' ' TYR . 0.1 OUTLIER -44.66 -33.28 1.77 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.211 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.421 ' N ' ' HG3' ' A' ' 112' ' ' GLU . 29.8 t80 -68.47 -47.72 66.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.942 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -50.45 -50.08 53.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.53 -50.9 56.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.399 1.062 . . . . 0.0 110.323 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.429 ' HG ' ' CD2' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -48.36 -39.59 22.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.588 ' CD1' ' CE1' ' A' ' 71' ' ' HIS . 34.8 t90 -60.04 -61.82 2.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.533 1.146 . . . . 0.0 108.025 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.464 ' CD1' HG13 ' A' ' 45' ' ' VAL . 98.5 mt -44.68 -28.58 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.261 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.3 -62.91 1.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.529 ' HB1' ' CE1' ' A' ' 71' ' ' HIS . . . -56.27 -35.43 67.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.586 1.179 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.403 ' HE2' ' CZ ' ' A' ' 37' ' ' PHE . 1.9 t80 -67.33 -32.04 72.73 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.528 1.142 . . . . 0.0 111.001 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -97.31 7.04 47.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -101.12 1.62 39.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.371 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 91.3 mt -76.17 150.84 83.38 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.463 1.77 . . . . 0.0 110.916 -179.953 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.892 0 N-CA-C 111.018 -0.416 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 9.5 m -74.86 -24.24 58.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.11 . . . . 0.0 109.96 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . . . . . . . . . 28.4 p-90 -74.43 -21.25 59.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 108.017 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -70.51 -7.65 45.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.34 26.37 6.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.171 . . . . 0.0 109.963 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 30.1 mt -125.02 125.01 68.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.466 ' CB ' ' HB3' ' A' ' 176' ' ' ASN . 0.0 OUTLIER -145.52 154.28 42.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . 0.468 ' NE2' ' O ' ' A' ' 139' ' ' GLY . 0.1 OUTLIER -73.12 120.24 18.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.301 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . 0.468 ' O ' ' NE2' ' A' ' 138' ' ' GLN . . . -80.18 149.56 31.02 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.5 -47.28 63.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 109.294 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -110.37 40.37 1.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -114.35 168.66 7.63 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.333 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . 0.496 ' O ' ' CB ' ' A' ' 147' ' ' PHE . 18.2 Cg_endo -75.08 115.37 4.25 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.502 1.791 . . . . 0.0 110.96 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' TYR . . . . . 0.443 ' CE2' ' SG ' ' A' ' 181' ' ' CYS . 1.9 t80 -69.27 -55.57 10.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' HIS . . . . . 0.434 ' CD2' ' C ' ' A' ' 145' ' ' HIS . 0.8 OUTLIER -59.16 -58.09 10.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.59 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -50.61 -50.83 53.07 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . 0.496 ' CB ' ' O ' ' A' ' 143' ' ' PRO . 7.1 t80 -47.65 -42.18 23.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 18.2 t -65.88 -47.62 84.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 109.264 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.14 -54.85 29.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -58.62 -49.22 78.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.608 1.192 . . . . 0.0 110.282 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . 0.484 ' CD1' ' HB3' ' A' ' 172' ' ' LEU . 0.6 OUTLIER -43.54 -38.92 3.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -66.36 -48.35 70.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.167 . . . . 0.0 109.366 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 1.3 mp -62.24 -67.62 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -41.3 -34.8 0.54 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 0.568 ' O ' ' N ' ' A' ' 158' ' ' GLY . 2.3 mt -66.69 -64.31 0.88 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -46.71 -23.3 0.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . 0.427 ' N ' ' C ' ' A' ' 155' ' ' LEU . 0.8 OUTLIER -72.77 -31.8 65.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.25 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . 0.568 ' N ' ' O ' ' A' ' 155' ' ' LEU . . . -140.7 56.55 0.6 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.416 ' CD2' HD22 ' A' ' 155' ' ' LEU . 0.2 OUTLIER -145.93 107.32 4.27 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 109.33 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 159.31 41.4 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.444 1.76 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -66.83 -42.99 84.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.297 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -46.64 -28.98 3.87 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 163' ' ' THR . . . . . 0.414 HG23 ' N ' ' A' ' 164' ' ' PRO . 1.3 m -110.5 141.27 23.63 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.552 0.795 . . . . 0.0 110.424 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 164' ' ' PRO . . . . . 0.414 ' N ' HG23 ' A' ' 163' ' ' THR . 18.3 Cg_endo -75.1 142.09 27.13 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.7 -28.46 8.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 109.236 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . 0.554 ' N ' ' CD ' ' A' ' 167' ' ' PRO . 0.0 OUTLIER -49.36 -49.82 68.57 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.377 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 167' ' ' PRO . . . . . 0.554 ' CD ' ' N ' ' A' ' 166' ' ' ASP . 18.4 Cg_endo -75.03 -44.76 0.31 Allowed 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.498 1.788 . . . . 0.0 111.01 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 168' ' ' ILE . . . . . 0.44 ' CG2' ' CD2' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -54.22 -44.96 66.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 169' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' A' ' 151' ' ' LEU . 36.2 tp -53.94 -57.06 12.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . 0.404 ' CZ ' ' HA ' ' A' ' 192' ' ' ASN . 3.7 ttp180 -57.14 -45.15 83.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.414 1.071 . . . . 0.0 110.327 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 171' ' ' SER . . . . . 0.47 ' O ' ' CB ' ' A' ' 175' ' ' SER . 0.1 OUTLIER -62.3 -20.96 64.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.028 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.484 ' HB3' ' CD1' ' A' ' 151' ' ' LEU . 17.1 mt -86.99 -39.15 15.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.583 1.177 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -71.02 -7.72 48.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 174' ' ' TYR . . . . . 0.449 ' OH ' ' NE2' ' A' ' 186' ' ' GLN . 20.7 t80 -116.0 -63.12 1.5 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.426 1.079 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 175' ' ' SER . . . . . 0.47 ' CB ' ' O ' ' A' ' 171' ' ' SER . 19.8 m -50.0 -44.49 51.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.025 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 176' ' ' ASN . . . . . 0.466 ' HB3' ' CB ' ' A' ' 137' ' ' LEU . 4.7 m-80 -105.13 65.23 0.73 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 177' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 178' ' ' ASN . . . -138.77 141.61 38.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 178' ' ' ASN . . . . . 0.459 ' ND2' ' H ' ' A' ' 181' ' ' CYS . 15.6 p-10 -53.32 -173.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -78.95 -55.59 5.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.0 -36.45 3.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 181' ' ' CYS . . . . . 0.459 ' H ' ' ND2' ' A' ' 178' ' ' ASN . 11.1 t -71.8 -71.7 0.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 108.352 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -40.64 -38.11 0.83 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 0.0 110.255 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.65 -46.11 55.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.579 1.175 . . . . 0.0 109.339 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . 0.507 ' CD2' ' C ' ' A' ' 184' ' ' LEU . 3.0 tt -55.82 -53.0 62.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 185' ' ' LEU . . . . . 0.497 ' CD1' ' SD ' ' A' ' 198' ' ' MET . 10.7 mt -49.31 -50.17 40.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.252 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 186' ' ' GLN . . . . . 0.449 ' NE2' ' OH ' ' A' ' 174' ' ' TYR . 0.5 OUTLIER -59.51 -60.75 3.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.337 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -49.71 -45.93 49.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 188' ' ' ARG . . . . . 0.454 ' CD ' ' HB3' ' A' ' 201' ' ' ALA . 1.2 tpm_? -49.44 -48.23 47.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 110.36 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 109.14 44.44 1.09 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.554 1.159 . . . . 0.0 111.051 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 190' ' ' HIS . . . . . 0.54 ' CD2' ' HB3' ' A' ' 197' ' ' ASP . 0.0 OUTLIER -174.18 117.09 0.22 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.409 0.711 . . . . 0.0 109.604 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 2.0 p -120.45 -54.66 2.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 110.364 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 192' ' ' ASN . . . . . 0.404 ' HA ' ' CZ ' ' A' ' 170' ' ' ARG . 8.7 m120 -92.39 43.88 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 193' ' ' SER . . . . . 0.47 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.2 OUTLIER -104.38 176.83 1.59 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.026 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . 0.47 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.5 Cg_endo -74.98 144.83 30.81 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.555 1.818 . . . . 0.0 111.049 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 195' ' ' LEU . . . . . 0.408 ' HG ' ' CD2' ' A' ' 199' ' ' LEU . 3.8 tp -41.89 -37.89 1.41 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -46.98 -40.1 12.26 Favored Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.58 1.175 . . . . 0.0 110.989 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 197' ' ' ASP . . . . . 0.54 ' HB3' ' CD2' ' A' ' 190' ' ' HIS . 1.0 OUTLIER -77.6 -38.35 48.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 0.779 . . . . 0.0 109.3 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 198' ' ' MET . . . . . 0.497 ' SD ' ' CD1' ' A' ' 185' ' ' LEU . 36.4 tpp -53.31 -51.46 62.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 199' ' ' LEU . . . . . 0.408 ' CD2' ' HG ' ' A' ' 195' ' ' LEU . 3.2 mm? -68.99 -29.08 67.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.51 -7.57 56.45 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.532 1.145 . . . . 0.0 110.336 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 201' ' ' ALA . . . . . 0.454 ' HB3' ' CD ' ' A' ' 188' ' ' ARG . . . -97.24 -41.14 8.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.583 1.177 . . . . 0.0 109.349 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 202' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 204' ' ' THR . 20.3 p -79.62 -24.06 42.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 108.334 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 203' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 202' ' ' CYS . 15.6 pt20 -37.62 -31.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 204' ' ' THR . . . . . 0.455 ' N ' ' O ' ' A' ' 202' ' ' CYS . 4.6 t . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.454 1.096 . . . . 0.0 110.384 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.589 ' SD ' ' CZ ' ' A' ' 48' ' ' PHE . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.544 0.211 . . . . 0.0 110.981 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.5 pm0 -102.4 159.26 15.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 110.286 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -43.17 -27.34 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.22 -48.78 72.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.361 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -57.88 -59.52 5.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.567 ' HB3' ' CE2' ' A' ' 61' ' ' TYR . 33.1 mt -46.64 -43.82 17.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -57.01 -58.69 7.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.77 -43.65 69.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.348 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.423 ' HA ' ' CG ' ' A' ' 26' ' ' GLU . 91.2 mt -56.51 -58.16 6.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -45.08 -30.77 1.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -72.69 -69.85 0.38 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.423 ' CG ' ' HA ' ' A' ' 23' ' ' ILE . 4.7 pt-20 -48.75 -23.02 0.91 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 0.0 110.266 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 36.2 t -82.96 -39.29 15.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.532 1.145 . . . . 0.0 109.26 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.26 -26.39 67.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.979 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.67 -34.75 52.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 110.306 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.46 ' CB ' ' HB3' ' A' ' 36' ' ' GLN . . . -52.37 166.71 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -110.19 162.98 18.29 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 116.6 4.64 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.612 1.848 . . . . 0.0 111.034 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.17 42.93 11.24 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.528 1.143 . . . . 0.0 111.026 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.2 m -135.51 151.04 73.88 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.469 0.747 . . . . 0.0 109.926 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 50.76 2.61 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.555 1.818 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.46 ' HB3' ' CB ' ' A' ' 30' ' ' ALA . 0.5 OUTLIER -121.32 -46.16 2.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.319 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -68.51 -65.25 0.72 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.33 -48.3 55.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.379 1.05 . . . . 0.0 111.054 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -51.68 -46.93 64.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -55.42 -30.64 60.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.424 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.472 HG22 ' CD2' ' A' ' 118' ' ' LEU . 2.7 mm -72.8 -32.11 39.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -80.76 -30.31 36.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.273 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.8 tp -71.04 -33.99 70.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.576 1.172 . . . . 0.0 109.272 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.43 -38.66 59.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.265 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.402 ' HA ' ' CD ' ' A' ' 50' ' ' PRO . 1.2 t -69.37 -17.15 21.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -102.29 -22.61 14.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.416 ' CA ' ' OE1' ' A' ' 47' ' ' GLN . 0.3 OUTLIER -69.96 -68.45 0.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 110.312 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.589 ' CZ ' ' SD ' ' A' ' 15' ' ' MET . 8.7 p90 -114.21 -33.22 5.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' A' ' 48' ' ' PHE . 0.5 OUTLIER 81.75 94.9 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 109.261 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.402 ' CD ' ' HA ' ' A' ' 45' ' ' VAL . 18.4 Cg_endo -75.06 120.6 6.12 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.521 1.8 . . . . 0.0 111.004 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.6 p -59.21 -175.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.387 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.418 ' HB3' ' CE1' ' A' ' 113' ' ' TYR . . . -61.78 -45.12 95.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -55.94 -55.27 34.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -52.88 -52.93 55.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.257 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.517 HD13 ' CG ' ' A' ' 117' ' ' TRP . 17.4 mt -48.39 -38.74 20.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.1 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.64 -57.88 10.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 110.318 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.424 ' C ' ' N ' ' A' ' 59' ' ' LEU . 44.8 t0 -63.4 -55.29 25.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.43 HD12 ' CD2' ' A' ' 20' ' ' LEU . 34.6 tp -42.6 -28.3 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.424 ' N ' ' C ' ' A' ' 57' ' ' ASP . 19.8 tp -73.34 -51.91 15.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.487 ' OE1' ' CB ' ' A' ' 68' ' ' ALA . 1.1 tp-100 -87.94 22.45 2.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 88.5 t80 -120.05 -31.99 4.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.94 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.4 mt -101.67 -63.84 1.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.35 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.423 ' SG ' ' O ' ' A' ' 59' ' ' LEU . 28.4 p -88.69 162.07 16.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.082 . . . . 0.0 108.371 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.69 -160.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.02 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 46.7 t -85.71 -43.5 13.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 110.059 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.3 tp -49.52 -71.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -46.96 -46.54 8.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.228 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.487 ' CB ' ' OE1' ' A' ' 60' ' ' GLN . . . -48.8 -46.16 41.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.3 p -67.07 -43.08 83.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.585 1.178 . . . . 0.0 110.01 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 71.1 mt -54.99 -51.48 66.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.337 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.493 ' ND1' ' CB ' ' A' ' 120' ' ' ALA . 0.2 OUTLIER -53.79 -46.5 71.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.558 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.441 ' HD1' ' CD2' ' A' ' 71' ' ' HIS . 0.0 OUTLIER -58.99 -19.42 43.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.604 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -73.33 -66.24 0.71 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.331 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.38 -27.19 69.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.469 HD22 ' CD2' ' A' ' 116' ' ' LEU . 1.9 tm? -71.72 -32.72 68.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 109.233 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -66.57 -50.04 64.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 109.297 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.62 -47.86 83.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 110.016 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 24.3 tp -49.39 -49.28 45.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.476 HD13 ' CD2' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -56.26 -48.82 78.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.9 t -46.29 -29.24 1.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.08 . . . . 0.0 109.996 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -77.04 -38.89 51.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.304 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 79' ' ' ILE . . . -65.16 -61.06 2.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -52.06 -33.93 41.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.226 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.5 m -63.04 -42.46 99.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 110.418 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -81.14 -0.52 40.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.258 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 87' ' ' ILE . . . 84.04 -11.23 58.16 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.427 1.079 . . . . 0.0 110.958 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.455 ' HB ' ' CB ' ' A' ' 90' ' ' TYR . 38.5 mt 59.73 154.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 0.767 . . . . 0.0 109.317 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.427 ' C ' ' O ' ' A' ' 87' ' ' ILE . 0.1 OUTLIER -36.42 -82.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.426 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -131.51 57.48 0.72 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.538 1.149 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.455 ' CB ' ' HB ' ' A' ' 87' ' ' ILE . 84.1 t80 -86.07 143.53 28.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.612 0.831 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.411 ' O ' ' NE2' ' A' ' 100' ' ' GLN . 0.5 OUTLIER -110.49 99.75 42.23 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.499 1.789 . . . . 0.0 110.943 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.887 0 N-CA-C 110.999 -0.424 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.476 ' CD2' HD13 ' A' ' 79' ' ' ILE . 14.0 tp -119.99 -53.82 2.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.457 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 0.0 OUTLIER -49.57 -33.05 13.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.348 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 15.4 t -62.3 -28.18 44.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.428 1.08 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 97' ' ' LEU . 10.7 mm-40 -82.37 -32.83 29.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.395 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.509 ' HB3' ' CD2' ' A' ' 113' ' ' TYR . . . -71.25 -44.76 64.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 98' ' ' ARG . 24.0 p30 -94.94 32.09 1.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -105.4 124.24 37.0 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.167 . . . . 0.0 109.283 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -16.98 19.81 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.477 1.777 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -73.43 -16.18 61.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -149.64 79.73 1.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.259 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -69.05 -8.74 47.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 110.293 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -61.88 -57.69 16.28 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.424 ' HG ' ' CG2' ' A' ' 87' ' ' ILE . 0.4 OUTLIER -67.33 -29.74 69.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 0.805 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -55.36 -43.59 75.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -72.94 -43.32 62.48 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.477 1.11 . . . . 0.0 110.272 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -57.69 -40.18 78.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.257 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.509 ' CD2' ' HB3' ' A' ' 101' ' ' ALA . 26.4 t80 -65.94 -40.87 91.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -57.93 -42.46 84.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 110.318 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -76.22 -45.27 33.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 110.333 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.469 ' CD2' HD22 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -56.18 -36.4 68.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.535 ' CZ2' ' CE1' ' A' ' 121' ' ' PHE . 90.5 t90 -67.09 -47.4 71.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 107.97 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.472 ' CD2' HG22 ' A' ' 41' ' ' ILE . 84.4 mt -60.15 -33.05 71.63 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.477 1.11 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -58.44 -48.01 82.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.493 ' CB ' ' ND1' ' A' ' 71' ' ' HIS . . . -67.24 -30.42 70.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.535 ' CE1' ' CZ2' ' A' ' 117' ' ' TRP . 0.4 OUTLIER -72.19 -17.77 61.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.425 1.078 . . . . 0.0 111.031 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -117.64 6.71 12.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -99.32 -1.73 38.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 77.2 mt -63.02 151.14 86.79 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.27 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.132 0 O-C-N 124.541 1.811 . . . . 0.0 111.021 179.99 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.896 0 N-CA-C 111.004 -0.422 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.5 m -74.36 -29.44 61.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.989 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.446 ' HA ' ' CD1' ' A' ' 136' ' ' ILE . 13.2 p-90 -70.87 -10.12 58.99 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.61 -11.14 59.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.579 1.174 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 24.7 m -129.84 28.95 5.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.048 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.446 ' CD1' ' HA ' ' A' ' 133' ' ' TRP . 39.6 mt -117.23 118.36 58.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.47 ' CB ' ' HB3' ' A' ' 176' ' ' ASN . 0.0 OUTLIER -138.12 146.85 43.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . 0.608 ' OE1' ' CD2' ' A' ' 144' ' ' TYR . 0.3 OUTLIER -66.74 127.12 31.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.31 -179.907 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . 0.434 ' O ' ' NE2' ' A' ' 138' ' ' GLN . . . -91.26 135.76 12.97 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.421 ' HB3' ' ND2' ' A' ' 178' ' ' ASN . 0.0 OUTLIER -49.38 -42.69 42.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 0.0 109.342 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -95.83 38.16 1.18 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -136.28 159.98 68.7 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.42 1.075 . . . . 0.0 110.269 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 116.61 4.64 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.469 1.773 . . . . 0.0 111.031 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' TYR . . . . . 0.608 ' CD2' ' OE1' ' A' ' 138' ' ' GLN . 0.4 OUTLIER -66.35 -54.58 22.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.408 1.067 . . . . 0.0 111.044 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' HIS . . . . . 0.467 ' HA ' ' CD1' ' A' ' 199' ' ' LEU . 2.3 t-160 -52.9 -47.61 67.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.553 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -62.53 -41.14 98.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.09 . . . . 0.0 109.335 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . 0.513 ' CD2' ' HG3' ' A' ' 138' ' ' GLN . 3.1 t80 -61.53 -50.28 73.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 46.0 t -48.98 -40.76 12.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.118 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -66.44 -65.06 0.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.407 1.067 . . . . 0.0 110.367 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -45.59 -37.98 6.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . 0.406 ' CD1' ' HB3' ' A' ' 172' ' ' LEU . 0.2 OUTLIER -59.78 -47.78 84.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 -64.84 -37.34 87.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.35 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 26.1 mt -62.33 -57.61 11.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.38 1.05 . . . . 0.0 109.253 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -56.03 -21.61 22.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.575 1.172 . . . . 0.0 109.35 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 0.5 ' O ' ' CB ' ' A' ' 159' ' ' LEU . 5.8 mt -86.28 -20.73 27.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -83.57 -13.03 55.36 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -113.14 -9.6 13.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.226 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -121.94 -43.91 0.39 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.453 1.096 . . . . 0.0 111.019 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.5 ' CB ' ' O ' ' A' ' 155' ' ' LEU . 0.2 OUTLIER -79.85 114.42 46.03 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.486 0.756 . . . . 0.0 109.29 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.15 174.16 13.27 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.473 1.775 . . . . 0.0 110.958 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.53 -17.97 46.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 110.268 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -82.34 1.69 86.74 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.489 1.118 . . . . 0.0 111.035 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 2.9 m -129.0 146.16 59.57 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.494 0.761 . . . . 0.0 110.424 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 113.63 3.84 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.504 1.792 . . . . 0.0 110.952 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 165' ' ' LYS . . . . . 0.47 ' CD ' ' C ' ' A' ' 165' ' ' LYS . 0.1 OUTLIER -101.67 -32.35 10.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . 0.518 ' CB ' ' HD3' ' A' ' 167' ' ' PRO . 0.2 OUTLIER -43.11 -53.67 10.32 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 -179.894 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 167' ' ' PRO . . . . . 0.518 ' HD3' ' CB ' ' A' ' 166' ' ' ASP . 18.4 Cg_endo -74.94 -50.02 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.498 1.788 . . . . 0.0 111.065 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 168' ' ' ILE . . . . . 0.445 HG21 ' CD1' ' A' ' 172' ' ' LEU . 0.1 OUTLIER -45.4 -39.81 2.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 21.4 tp -59.24 -64.08 1.07 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.15 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . 0.434 ' CD ' ' O ' ' A' ' 166' ' ' ASP . 9.7 mpt_? -51.39 -34.91 36.43 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 0.0 110.301 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.29 -29.63 65.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.081 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.445 ' CD1' HG21 ' A' ' 168' ' ' ILE . 5.2 mt -79.03 -45.52 20.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.357 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -70.58 -9.95 58.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 109.236 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 174' ' ' TYR . . . . . 0.428 ' O ' ' CG ' ' A' ' 182' ' ' GLN . 61.1 t80 -99.02 -69.08 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.654 1.221 . . . . 0.0 111.027 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.63 -49.43 77.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 110.06 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 176' ' ' ASN . . . . . 0.47 ' HB3' ' CB ' ' A' ' 137' ' ' LEU . 0.9 OUTLIER -89.61 57.06 3.78 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.45 1.094 . . . . 0.0 109.326 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -133.68 139.88 46.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.237 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 178' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 179' ' ' LYS . 14.8 t30 -40.06 158.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . 0.451 ' N ' ' OD1' ' A' ' 178' ' ' ASN . 0.3 OUTLIER -64.57 -42.77 95.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . 0.423 ' HB3' ' ND2' ' A' ' 178' ' ' ASN . 0.5 OUTLIER -68.5 -23.32 64.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.265 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 181' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 184' ' ' LEU . 39.4 m -79.47 -64.13 1.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 108.261 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . 0.428 ' CG ' ' O ' ' A' ' 174' ' ' TYR . 1.6 mt-30 -41.43 -33.52 0.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.241 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -75.22 -47.18 29.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.265 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . 0.478 ' O ' ' CD2' ' A' ' 184' ' ' LEU . 1.5 tt -52.3 -33.67 43.26 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.579 1.175 . . . . 0.0 109.334 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 185' ' ' LEU . . . . . 0.473 ' CD2' ' NE2' ' A' ' 190' ' ' HIS . 6.0 mt -68.67 -63.14 1.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.086 . . . . 0.0 109.308 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 186' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -50.06 -52.75 31.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.288 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -50.62 -50.04 55.19 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.468 1.105 . . . . 0.0 109.241 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 188' ' ' ARG . . . . . 0.474 ' HG3' ' CD2' ' A' ' 184' ' ' LEU . 0.2 OUTLIER -57.91 -17.66 18.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 61.29 44.29 98.27 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.467 1.104 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 190' ' ' HIS . . . . . 0.58 ' CG ' ' O ' ' A' ' 190' ' ' HIS . 1.0 OUTLIER -139.5 36.85 2.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.758 . . . . 0.0 109.549 -179.899 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.31 -46.3 90.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.392 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -91.77 63.8 4.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.241 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 193' ' ' SER . . . . . 0.438 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.4 OUTLIER -137.19 175.39 3.51 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.032 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . 0.438 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.5 Cg_endo -74.98 -174.28 1.87 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.509 1.794 . . . . 0.0 110.993 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 195' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 198' ' ' MET . 8.8 tp -75.67 -42.36 51.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -43.92 -36.31 3.7 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.487 1.117 . . . . 0.0 111.036 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 197' ' ' ASP . . . . . 0.491 ' HB3' ' CE1' ' A' ' 190' ' ' HIS . 16.7 t0 -78.17 -36.05 47.99 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.497 0.763 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 198' ' ' MET . . . . . 0.461 ' SD ' ' CD1' ' A' ' 185' ' ' LEU . 44.6 tpp -57.43 -32.94 67.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.985 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 199' ' ' LEU . . . . . 0.467 ' CD1' ' HA ' ' A' ' 145' ' ' HIS . 2.0 mm? -83.03 -31.05 27.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 9.9 mtp180 -75.4 -8.96 58.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -100.92 -32.4 10.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.345 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 202' ' ' CYS . . . . . 0.459 ' CB ' ' CD2' ' A' ' 144' ' ' TYR . 9.3 p -87.6 -16.35 34.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 108.289 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 203' ' ' GLN . . . . . 0.421 ' HG3' ' N ' ' A' ' 204' ' ' THR . 11.8 pt20 -53.05 -42.38 65.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.363 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 204' ' ' THR . . . . . 0.421 ' N ' ' HG3' ' A' ' 203' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 110.415 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.593 ' CE ' ' CD2' ' A' ' 20' ' ' LEU . 2.9 ttt . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.499 0.19 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.446 ' HG3' ' N ' ' A' ' 17' ' ' MET . 26.2 tp60 -79.8 145.44 32.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.142 . . . . 0.0 110.279 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.446 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -42.14 -39.91 2.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 110.978 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 pttp -58.09 -45.65 86.81 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.559 1.162 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 16' ' ' GLN . 13.5 m-20 -51.98 -49.1 63.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.593 ' CD2' ' CE ' ' A' ' 15' ' ' MET . 6.4 mt -63.14 -29.01 70.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.443 ' NE2' ' O ' ' A' ' 17' ' ' MET . 1.0 OUTLIER -70.92 -48.93 50.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.7 -33.1 71.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.426 HG21 ' CD1' ' A' ' 62' ' ' LEU . 22.9 mt -66.94 -57.74 8.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 0.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.4 tttm -45.55 -26.26 0.56 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.42 ' N ' ' C ' ' A' ' 23' ' ' ILE . 0.6 OUTLIER -74.03 -67.96 0.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.284 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -53.61 -21.19 6.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.333 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.444 HG21 ' CG2' ' A' ' 40' ' ' THR . 45.1 t -80.86 -47.36 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.353 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.5 t -49.22 -33.33 12.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.982 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.44 -35.57 73.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -48.73 167.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.68 162.43 24.29 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 107.42 2.48 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.508 1.794 . . . . 0.0 110.937 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 69.6 46.96 52.47 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.57 1.169 . . . . 0.0 111.037 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.9 160.07 61.07 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 109.961 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 48.91 2.11 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.535 1.808 . . . . 0.0 111.036 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -121.67 -51.85 2.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.272 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.566 ' CE1' HD13 ' A' ' 41' ' ' ILE . 5.2 t80 -58.93 -56.77 17.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.171 . . . . 0.0 110.964 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.475 ' CE ' HD23 ' A' ' 118' ' ' LEU . 2.9 tpt -51.03 -40.69 58.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.171 . . . . 0.0 111.013 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -57.75 -39.44 77.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.444 ' CG2' HG21 ' A' ' 27' ' ' VAL . 1.1 m -66.04 -26.41 67.5 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.571 1.169 . . . . 0.0 110.41 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.566 HD13 ' CE1' ' A' ' 37' ' ' PHE . 21.9 mm -67.92 -40.57 83.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.359 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.2 mpp_? -69.12 -34.44 75.05 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.493 1.121 . . . . 0.0 110.315 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 35.1 tp -63.35 -44.66 94.21 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.54 -50.78 41.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 109.253 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.452 HG11 ' CD1' ' A' ' 118' ' ' LEU . 0.3 OUTLIER -58.68 -17.27 10.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.474 1.109 . . . . 0.0 109.261 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -96.43 -22.46 17.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 110.318 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -69.34 -70.21 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.28 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.568 ' CZ ' ' HG3' ' A' ' 15' ' ' MET . 9.5 p90 -111.64 -34.57 6.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.085 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.513 ' CB ' ' O ' ' A' ' 48' ' ' PHE . 2.4 t70 82.94 91.72 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.271 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.424 ' CD ' ' HA ' ' A' ' 45' ' ' VAL . 18.3 Cg_endo -74.99 128.17 11.28 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.522 1.801 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.427 ' OG1' ' N ' ' A' ' 52' ' ' ALA . 7.7 t -69.09 -173.81 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 110.375 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.437 ' HB2' ' CZ ' ' A' ' 113' ' ' TYR . . . -54.91 -48.35 73.18 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.443 1.09 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.4 -58.34 7.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.315 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -56.67 -49.42 75.12 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.537 ' CD1' ' CG ' ' A' ' 117' ' ' TRP . 18.0 mt -53.07 -32.39 46.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -63.58 1.22 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.472 1.107 . . . . 0.0 110.34 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.481 ' O ' ' CB ' ' A' ' 61' ' ' TYR . 0.1 OUTLIER -56.82 -45.16 82.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 0.0 109.349 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.1 tp -52.77 -25.17 10.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.445 HD21 ' CD2' ' A' ' 71' ' ' HIS . 20.3 tp -77.19 -52.5 9.14 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.36 24.28 2.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.481 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 50.0 t80 -120.51 -44.87 2.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 110.988 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.426 ' CD1' HG21 ' A' ' 23' ' ' ILE . 5.0 mt -106.32 -61.21 1.55 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.483 ' HB3' ' CG1' ' A' ' 67' ' ' VAL . 8.8 m -59.84 168.08 1.92 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 108.32 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 78.9 p -92.51 175.88 6.66 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.612 1.195 . . . . 0.0 109.996 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.4 t -59.78 -68.68 0.26 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.134 . . . . 0.0 110.011 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -42.84 -55.79 3.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.348 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.483 ' CG1' ' HB3' ' A' ' 63' ' ' CYS . 2.1 t -47.81 -49.0 11.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.07 -40.77 74.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.305 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.1 m -65.7 -43.42 89.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.009 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 59.0 mt -60.99 -56.19 24.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.238 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.445 ' CD2' HD21 ' A' ' 59' ' ' LEU . 2.2 t60 -54.16 -49.95 68.11 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 109.626 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -46.71 -43.16 17.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.684 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.63 -61.61 2.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.584 1.177 . . . . 0.0 110.272 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.494 ' OE1' ' CB ' ' A' ' 123' ' ' ALA . 2.8 mt-30 -52.41 -30.36 28.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 110.341 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.481 ' CD1' ' CD1' ' A' ' 79' ' ' ILE . 0.2 OUTLIER -66.93 -49.53 65.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -54.8 -48.05 73.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 33.7 t -67.59 -27.55 67.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 110.0 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.477 ' HB3' ' CD1' ' A' ' 116' ' ' LEU . 0.9 OUTLIER -66.32 -68.65 0.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.246 -179.934 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.481 ' CD1' ' CD1' ' A' ' 75' ' ' LEU . 1.5 mp -44.73 -45.3 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.426 1.079 . . . . 0.0 109.219 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.406 ' O ' ' CB ' ' A' ' 84' ' ' THR . 33.2 t -51.09 -36.81 42.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.942 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 78' ' ' LEU . 5.9 tt0 -69.71 -41.19 75.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.31 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.486 ' HB1' ' CG1' ' A' ' 87' ' ' ILE . . . -61.31 -56.61 18.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.407 1.067 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -60.15 -44.42 95.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.406 ' CB ' ' O ' ' A' ' 80' ' ' SER . 5.5 m -58.05 -47.52 82.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.434 1.084 . . . . 0.0 110.432 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.26 -2.85 23.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 68.1 82.68 0.16 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.493 1.12 . . . . 0.0 111.008 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.486 ' CG1' ' HB1' ' A' ' 82' ' ' ALA . 8.1 mt -43.93 164.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.475 0.75 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.471 ' N ' ' CG2' ' A' ' 87' ' ' ILE . 7.7 t -72.69 -54.59 8.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.393 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.406 ' N ' ' CG2' ' A' ' 88' ' ' THR . . . -133.85 71.2 0.5 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.509 1.131 . . . . 0.0 110.966 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.576 ' CG ' ' N ' ' A' ' 91' ' ' ASN . 49.4 t80 -112.55 172.95 6.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 0.771 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.576 ' N ' ' CG ' ' A' ' 90' ' ' TYR . 12.6 p-10 -136.09 122.0 13.74 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.142 0 O-C-N 124.47 1.774 . . . . 0.0 110.965 179.959 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.409 ' O ' ' OE1' ' A' ' 100' ' ' GLN . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.886 0 N-CA-C 111.0 -0.423 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.468 HD21 ' CG1' ' A' ' 79' ' ' ILE . 8.3 tp -60.26 -15.21 22.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.452 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 36.3 ptt-85 -76.66 0.61 19.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 18.9 t -96.83 -55.16 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.445 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 6.5 pm0 -75.85 -0.05 19.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.34 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.413 ' HB3' ' CD2' ' A' ' 113' ' ' TYR . . . -94.68 -19.46 20.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.22 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 98' ' ' ARG . 10.2 m-20 -94.06 -5.12 48.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 109.349 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -88.24 119.79 70.38 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -4.77 15.9 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.493 1.786 . . . . 0.0 111.0 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -67.31 -51.52 51.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.591 1.182 . . . . 0.0 110.318 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.445 ' NE2' ' O ' ' A' ' 100' ' ' GLN . 5.4 pt20 -100.13 71.82 1.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.289 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -14.04 15.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.423 1.077 . . . . 0.0 110.3 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -60.85 -57.29 19.57 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.511 1.132 . . . . 0.0 110.94 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.41 ' CD1' HG23 ' A' ' 87' ' ' ILE . 0.8 OUTLIER -75.2 -45.58 39.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 0.776 . . . . 0.0 109.315 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 17.2 ttt180 -41.17 -42.5 2.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.23 -44.5 29.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.241 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.402 ' O ' ' OE2' ' A' ' 112' ' ' GLU . 8.9 tp10 -56.24 -25.32 47.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.265 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.437 ' CZ ' ' HB2' ' A' ' 52' ' ' ALA . 1.9 t80 -81.5 -49.93 10.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 111.003 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -49.11 -43.0 41.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 110.336 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.42 -33.15 64.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.477 ' CD1' ' HB3' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -68.47 -30.25 69.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.791 ' CZ2' ' CE1' ' A' ' 121' ' ' PHE . 70.8 t90 -68.54 -57.57 5.58 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.475 HD23 ' CE ' ' A' ' 38' ' ' MET . 28.5 mt -51.71 -29.01 16.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.13 -62.04 2.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.464 ' CB ' HD23 ' A' ' 75' ' ' LEU . . . -56.69 -24.04 46.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.559 1.162 . . . . 0.0 109.342 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.791 ' CE1' ' CZ2' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -74.58 -45.52 44.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -87.36 8.19 25.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.494 ' CB ' ' OE1' ' A' ' 74' ' ' GLN . . . -97.66 0.67 47.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.263 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 78.3 mt -70.88 153.93 94.52 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.229 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.202 0 O-C-N 124.459 1.768 . . . . 0.0 111.009 -179.979 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . 0.476 ' HB3' ' CZ2' ' A' ' 133' ' ' TRP . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.87 0 N-CA-C 111.02 -0.416 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.42 -41.79 79.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.003 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.54 ' CZ2' ' CD2' ' A' ' 159' ' ' LEU . 11.8 p-90 -57.65 -18.7 21.77 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.63 -14.65 21.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 109.257 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 11.9 p -129.29 35.48 4.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.976 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.473 ' CD1' ' HA ' ' A' ' 133' ' ' TRP . 62.5 mt -123.25 119.03 56.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.599 ' O ' ' CZ ' ' A' ' 147' ' ' PHE . 0.2 OUTLIER -136.44 -176.74 4.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.432 1.083 . . . . 0.0 109.345 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . 0.459 ' CG ' ' HA ' ' A' ' 144' ' ' TYR . 0.0 OUTLIER -105.62 115.21 29.86 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.441 1.088 . . . . 0.0 110.325 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -74.4 145.93 35.18 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.568 1.168 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -57.58 -18.46 19.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 0.787 . . . . 0.0 109.307 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -129.68 47.15 2.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 110.316 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -139.32 159.68 65.09 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 109.94 3.02 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.427 1.751 . . . . 0.0 110.926 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' TYR . . . . . 0.596 ' CD1' ' CB ' ' A' ' 202' ' ' CYS . 0.9 OUTLIER -69.06 -44.35 72.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 110.991 179.91 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' HIS . . . . . 0.461 ' CD2' ' C ' ' A' ' 145' ' ' HIS . 0.5 OUTLIER -57.0 -54.1 50.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.657 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -56.51 -50.03 73.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . 0.599 ' CZ ' ' O ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -47.5 -42.23 22.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 111.034 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 38.5 t -60.56 -40.71 85.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.04 -56.12 24.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 110.266 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 17.2 mtt180 -59.87 -35.33 74.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.155 . . . . 0.0 110.33 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . 0.475 ' HB3' ' CD1' ' A' ' 169' ' ' LEU . 1.7 mt -55.39 -48.32 74.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -60.33 -34.59 74.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.36 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' A' ' 156' ' ' ASP . 5.8 mt -67.64 -63.97 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.422 1.076 . . . . 0.0 109.288 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -52.59 -21.91 4.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 0.494 ' O ' ' CB ' ' A' ' 159' ' ' LEU . 15.6 mt -86.22 -28.05 24.1 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.242 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 153' ' ' ILE . 0.8 OUTLIER -79.48 -7.7 58.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.439 1.087 . . . . 0.0 109.32 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -112.73 -30.67 7.0 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.427 1.079 . . . . 0.0 109.311 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -102.31 -43.17 2.07 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.54 ' CD2' ' CZ2' ' A' ' 133' ' ' TRP . 0.2 OUTLIER -79.63 114.68 47.72 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.521 0.777 . . . . 0.0 109.245 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -169.1 0.58 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.42 1.748 . . . . 0.0 111.007 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -95.71 -14.67 23.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 110.258 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -93.65 18.36 56.66 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.476 1.11 . . . . 0.0 111.03 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 3.9 m -138.28 145.85 48.98 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.487 0.757 . . . . 0.0 110.43 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 109.84 3.0 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.52 1.8 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.03 -33.39 10.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.34 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . 0.514 ' CB ' ' HD3' ' A' ' 167' ' ' PRO . 0.1 OUTLIER -41.88 -53.28 8.19 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.429 1.08 . . . . 0.0 109.284 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 167' ' ' PRO . . . . . 0.514 ' HD3' ' CB ' ' A' ' 166' ' ' ASP . 18.4 Cg_endo -75.04 -48.8 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.448 1.762 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 168' ' ' ILE . . . . . 0.432 ' CG2' HD22 ' A' ' 155' ' ' LEU . 0.4 OUTLIER -47.96 -43.56 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.329 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 169' ' ' LEU . . . . . 0.475 ' CD1' ' HB3' ' A' ' 151' ' ' LEU . 26.3 tp -60.52 -63.85 1.16 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 13.1 mtm105 -47.7 -23.66 0.75 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.257 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.58 -54.38 6.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 109.954 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.455 ' CB ' HD13 ' A' ' 151' ' ' LEU . 0.7 OUTLIER -65.01 -12.93 55.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.34 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -89.96 -36.6 14.89 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.095 . . . . 0.0 109.262 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 174' ' ' TYR . . . . . 0.442 ' O ' ' C ' ' A' ' 175' ' ' SER . 11.8 t80 -113.81 -71.94 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 110.97 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 175' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 174' ' ' TYR . 23.5 t -35.63 -39.34 0.14 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.449 1.093 . . . . 0.0 109.982 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -110.74 60.27 0.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.267 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 177' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 174' ' ' TYR . . . -134.61 152.6 51.89 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 178' ' ' ASN . . . . . 0.435 ' OD1' ' NE2' ' A' ' 138' ' ' GLN . 4.7 p-10 -53.44 -174.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.38 -42.4 25.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.37 -21.37 62.07 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.138 . . . . 0.0 110.257 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 181' ' ' CYS . . . . . 0.536 ' SG ' ' CD2' ' A' ' 144' ' ' TYR . 53.6 t -86.53 -69.47 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 108.335 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . 0.471 HE21 ' N ' ' A' ' 183' ' ' LYS . 0.0 OUTLIER -44.97 -31.92 1.45 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.453 1.095 . . . . 0.0 110.276 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 183' ' ' LYS . . . . . 0.471 ' N ' HE21 ' A' ' 182' ' ' GLN . 29.2 mtmt -75.03 -42.5 57.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . 0.468 ' CD2' ' C ' ' A' ' 184' ' ' LEU . 2.3 tt -54.91 -56.04 23.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 16.9 mt -51.36 -52.82 42.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.267 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 186' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -52.66 -48.63 66.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -57.64 -31.11 65.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.345 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 188' ' ' ARG . . . . . 0.435 ' HG3' ' CD2' ' A' ' 184' ' ' LEU . 0.1 OUTLIER -81.5 -18.35 45.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 58.54 55.29 31.58 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.443 1.089 . . . . 0.0 110.969 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 190' ' ' HIS . . . . . 0.5 ' O ' ' C ' ' A' ' 191' ' ' THR . 0.5 OUTLIER -155.76 26.5 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 109.6 -179.92 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 191' ' ' THR . . . . . 0.5 ' C ' ' O ' ' A' ' 190' ' ' HIS . 17.6 p -30.93 -57.41 0.22 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 110.358 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 192' ' ' ASN . . . . . 0.457 ' O ' ' O ' ' A' ' 193' ' ' SER . 27.2 t-20 -68.94 -110.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.097 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 193' ' ' SER . . . . . 0.549 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER 47.97 -179.61 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.975 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . 0.549 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.2 Cg_endo -75.07 166.04 29.95 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.494 1.786 . . . . 0.0 110.939 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 195' ' ' LEU . . . . . 0.417 ' HG ' ' CD2' ' A' ' 199' ' ' LEU . 11.1 tp -67.4 -44.29 79.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -46.99 -41.63 14.34 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.07 -38.69 86.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 0.74 . . . . 0.0 109.35 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 198' ' ' MET . . . . . 0.414 ' HA ' ' CE1' ' A' ' 190' ' ' HIS . 90.9 mtp -62.35 -34.11 76.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 199' ' ' LEU . . . . . 0.417 ' CD2' ' HG ' ' A' ' 195' ' ' LEU . 3.1 mm? -75.11 -22.51 58.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 109.361 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 10.2 mtm180 -85.96 -14.38 44.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 110.309 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -89.51 -35.36 15.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.597 1.186 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 202' ' ' CYS . . . . . 0.596 ' CB ' ' CD1' ' A' ' 144' ' ' TYR . 1.0 OUTLIER -88.47 -18.61 27.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 108.288 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 203' ' ' GLN . . . . . 0.443 ' CG ' ' N ' ' A' ' 204' ' ' THR . 15.0 pt20 -38.15 -46.42 1.04 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.48 1.112 . . . . 0.0 110.327 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 204' ' ' THR . . . . . 0.443 ' N ' ' CG ' ' A' ' 203' ' ' GLN . 5.8 t . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.563 1.164 . . . . 0.0 110.388 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.593 ' SD ' ' CE1' ' A' ' 48' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.539 0.209 . . . . 0.0 111.023 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.422 ' N ' ' HG3' ' A' ' 15' ' ' MET . 5.9 pm0 -121.97 174.42 6.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.245 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -54.01 -18.91 3.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 111.041 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -61.39 1.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.078 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -47.12 -43.41 20.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.258 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.566 ' HB3' ' CE2' ' A' ' 61' ' ' TYR . 25.4 mt -54.05 -53.65 50.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 109.336 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.97 -53.84 47.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.241 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.49 -42.12 66.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.42 ' HA ' ' CG ' ' A' ' 26' ' ' GLU . 29.3 mt -59.98 -48.82 86.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.4 ttpp -50.25 -27.0 5.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -76.66 -69.58 0.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.42 ' CG ' ' HA ' ' A' ' 23' ' ' ILE . 4.3 pt-20 -48.59 -23.54 1.04 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.2 t -83.06 -43.41 18.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.448 1.093 . . . . 0.0 109.207 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 57.7 m -53.15 -20.79 4.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.006 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -81.78 -40.61 22.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 110.315 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.463 ' CB ' ' HB3' ' A' ' 36' ' ' GLN . . . -48.81 166.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -105.66 162.58 19.27 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 117.34 4.88 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.547 1.814 . . . . 0.0 111.033 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 71.43 38.74 62.11 Favored Glycine 0 CA--C 1.528 0.905 0 O-C-N 124.551 1.157 . . . . 0.0 111.054 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.5 m -125.85 155.1 73.38 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.448 0.734 . . . . 0.0 110.018 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 50.15 2.45 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.461 1.769 . . . . 0.0 110.965 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.463 ' HB3' ' CB ' ' A' ' 30' ' ' ALA . 13.5 tp60 -121.33 -53.2 2.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.258 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.482 ' CD1' ' N ' ' A' ' 38' ' ' MET . 4.2 t80 -58.06 -59.6 5.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.106 . . . . 0.0 110.974 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.482 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -48.7 -41.86 33.1 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.556 1.16 . . . . 0.0 110.96 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -54.31 -41.0 68.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 110.315 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.4 m -67.63 -23.92 65.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.41 1.069 . . . . 0.0 110.415 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.459 HG22 ' CD2' ' A' ' 118' ' ' LEU . 12.4 mm -74.9 -57.43 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -61.77 -31.45 71.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 110.33 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 22.1 tp -67.92 -48.04 67.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.51 ' O ' ' CE1' ' A' ' 48' ' ' PHE . . . -65.61 -32.92 74.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -72.23 -37.05 57.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.587 1.179 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -87.3 0.3 55.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 110.312 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.34 -68.9 0.76 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.251 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.593 ' CE1' ' SD ' ' A' ' 15' ' ' MET . 0.2 OUTLIER -116.9 -24.85 7.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.578 1.174 . . . . 0.0 110.907 -179.931 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 72.34 98.31 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.551 1.157 . . . . 0.0 109.241 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 143.0 28.73 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.527 1.804 . . . . 0.0 111.007 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.5 p -61.9 -172.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.412 1.07 . . . . 0.0 110.412 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.23 -46.44 67.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.407 ' HD3' ' N ' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -63.78 -39.21 93.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.407 ' N ' ' HD3' ' A' ' 53' ' ' LYS . 77.2 m-20 -57.55 -37.84 73.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.523 HD21 ' CZ3' ' A' ' 117' ' ' TRP . 31.5 mt -65.89 -48.17 72.41 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.13 . . . . 0.0 109.347 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -53.71 -53.02 58.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 110.347 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.67 -57.5 10.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.467 HD13 ' CD1' ' A' ' 62' ' ' LEU . 10.0 tp -44.01 -40.33 4.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.342 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.423 ' O ' ' SG ' ' A' ' 63' ' ' CYS . 33.1 tp -55.94 -54.14 48.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.35 5.41 14.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.31 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 8.3 t80 -97.68 -21.1 17.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 0.0 110.956 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.467 ' CD1' HD13 ' A' ' 58' ' ' LEU . 49.2 mt -120.14 -69.87 0.82 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.423 ' SG ' ' O ' ' A' ' 59' ' ' LEU . 3.3 p -68.67 173.04 5.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 108.302 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.7 -165.68 1.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.617 1.198 . . . . 0.0 109.986 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.4 ' O ' ' OG ' ' A' ' 69' ' ' SER . 1.2 m -77.99 -24.69 47.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.419 1.075 . . . . 0.0 109.961 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 69' ' ' SER . 0.3 OUTLIER -73.05 -75.88 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.352 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.1 t -42.31 -34.61 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.69 -49.18 77.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 66' ' ' LEU . 2.4 m -58.47 -54.62 45.02 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 42.7 mt -52.51 -46.51 66.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.566 1.166 . . . . 0.0 109.337 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.487 ' CE1' ' HB2' ' A' ' 120' ' ' ALA . 8.0 t-80 -57.55 -41.83 81.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 109.614 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.66 -16.49 63.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.619 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 10.3 tp60 -80.29 -72.61 0.4 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -47.26 -31.88 4.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.567 1.167 . . . . 0.0 110.279 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.469 ' CD2' ' HG ' ' A' ' 116' ' ' LEU . 1.6 tm? -74.16 -45.4 48.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.355 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.36 -43.38 23.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.155 . . . . 0.0 109.367 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.9 t -68.52 -39.96 80.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.995 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.62 -39.59 91.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.462 HD12 ' CD1' ' A' ' 116' ' ' LEU . 42.5 mm -58.26 -59.65 3.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.456 1.098 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.0 t -49.91 -30.25 9.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.933 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -63.41 -39.98 95.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.421 1.075 . . . . 0.0 110.304 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.74 -59.62 3.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 0.0 109.357 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -54.39 -40.26 68.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.353 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.3 m -64.66 -48.28 75.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.358 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.25 -0.09 21.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 71.52 91.47 0.09 OUTLIER Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.572 1.17 . . . . 0.0 110.98 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.474 ' HB ' ' CB ' ' A' ' 90' ' ' TYR . 66.6 mt -53.71 167.74 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.588 0.816 . . . . 0.0 109.356 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.453 ' N ' ' CG2' ' A' ' 87' ' ' ILE . 14.7 t -88.09 -49.3 7.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 110.423 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.42 ' N ' ' CG2' ' A' ' 88' ' ' THR . . . -124.19 68.16 0.49 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.601 1.188 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.495 ' CD1' ' OE1' ' A' ' 100' ' ' GLN . 54.3 t80 -127.93 135.74 50.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 0.726 . . . . 0.0 110.948 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -110.35 100.54 45.0 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.196 0 O-C-N 124.415 1.745 . . . . 0.0 110.966 -179.97 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.431 ' O ' ' NE2' ' A' ' 100' ' ' GLN . 17.9 Cg_endo . . . . . 0 N--CA 1.454 -0.838 0 N-CA-C 110.943 -0.445 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.463 HD13 ' CE1' ' A' ' 90' ' ' TYR . 14.2 tp -120.14 -55.64 2.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -51.31 -34.07 31.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.166 . . . . 0.0 110.3 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 60.5 t -60.16 -45.69 95.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.495 ' OE1' ' CD1' ' A' ' 90' ' ' TYR . 29.0 mt-30 -66.26 -20.33 66.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.301 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -103.98 16.33 26.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -107.67 -20.67 13.15 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.575 1.172 . . . . 0.0 109.331 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 46.9 p-10 -99.26 138.42 20.54 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.383 1.052 . . . . 0.0 109.299 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 0.25 9.09 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.407 1.741 . . . . 0.0 111.027 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -61.87 -62.6 1.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -95.48 83.38 3.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.24 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -72.35 -4.22 28.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -65.83 -56.47 14.5 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.513 1.133 . . . . 0.0 111.045 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.2 mt -71.11 -24.4 62.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 0.729 . . . . 0.0 109.345 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.43 ' HB3' ' NH1' ' A' ' 110' ' ' ARG . 13.0 mtp-105 -61.55 -52.67 63.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 110.334 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -65.6 -37.39 86.5 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.475 1.109 . . . . 0.0 110.279 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -63.28 -56.3 17.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.329 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -53.49 -35.39 60.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 111.026 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -58.98 -48.25 82.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 110.275 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -75.14 -54.63 6.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.326 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.469 ' HG ' ' CD2' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -47.89 -42.37 26.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.523 ' CZ3' HD21 ' A' ' 55' ' ' LEU . 75.0 t90 -62.41 -66.59 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 108.03 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.47 HD22 ' CZ3' ' A' ' 117' ' ' TRP . 93.2 mt -41.47 -35.25 0.66 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.68 -52.07 65.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.487 ' HB2' ' CE1' ' A' ' 71' ' ' HIS . . . -59.81 -34.96 73.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.502 ' CE2' ' CH2' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -75.97 -12.62 60.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 111.053 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -111.27 3.64 18.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -97.64 -4.21 37.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 79.2 mt -68.98 148.98 97.95 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.399 1.062 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.111 0 O-C-N 124.493 1.786 . . . . 0.0 110.998 179.999 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.873 0 N-CA-C 110.976 -0.432 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.25 -28.18 59.75 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.589 ' CD1' HD21 ' A' ' 155' ' ' LEU . 23.2 p-90 -67.66 -13.77 62.37 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.93 -10.56 50.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.4 27.25 4.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.979 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.463 ' CD1' ' HA ' ' A' ' 133' ' ' TRP . 96.7 mt -113.52 116.38 52.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.497 ' C ' ' CZ ' ' A' ' 147' ' ' PHE . 0.1 OUTLIER -134.8 156.34 49.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.309 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . 0.466 ' CG ' ' HA ' ' A' ' 144' ' ' TYR . 0.0 OUTLIER -71.31 116.09 11.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.436 1.085 . . . . 0.0 110.244 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . 0.455 ' O ' ' NE2' ' A' ' 138' ' ' GLN . . . -66.1 155.24 51.01 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.557 1.16 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.454 ' N ' ' OD1' ' A' ' 178' ' ' ASN . 1.4 tm? -60.51 -40.34 91.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 0.78 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -111.82 40.42 2.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 110.342 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -114.58 154.92 46.62 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.306 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 84.35 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.504 1.791 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' TYR . . . . . 0.596 ' CD1' ' CB ' ' A' ' 202' ' ' CYS . 45.7 t80 -38.13 -49.63 1.34 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.961 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' HIS . . . . . 0.44 ' CD2' ' C ' ' A' ' 145' ' ' HIS . 0.9 OUTLIER -56.42 -61.02 2.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.562 -179.939 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -54.69 -45.24 73.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . 0.497 ' CZ ' ' C ' ' A' ' 137' ' ' LEU . 77.4 t80 -55.03 -47.14 75.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 111.027 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 144' ' ' TYR . 67.6 t -51.14 -41.44 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.338 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -64.29 -61.97 1.9 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 110.252 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -50.66 -31.46 16.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.308 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . 0.412 ' HB3' ' CD1' ' A' ' 169' ' ' LEU . 0.5 OUTLIER -63.48 -41.04 98.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -63.41 -49.44 73.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . 0.433 ' C ' ' N ' ' A' ' 155' ' ' LEU . 4.0 mp -62.15 -67.8 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.544 1.152 . . . . 0.0 109.345 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -41.48 -29.65 0.17 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.133 . . . . 0.0 109.299 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 0.589 HD21 ' CD1' ' A' ' 133' ' ' TRP . 2.8 mt -71.17 -61.76 1.65 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -50.68 -22.58 2.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.577 1.173 . . . . 0.0 109.299 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.03 -24.11 67.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -146.42 36.99 1.24 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.536 1.147 . . . . 0.0 111.034 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.31 113.86 32.16 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.76 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 156.52 43.28 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.425 1.75 . . . . 0.0 111.017 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -74.31 -1.7 21.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.108 . . . . 0.0 110.303 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -104.37 18.22 45.5 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.509 1.13 . . . . 0.0 111.031 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 1.4 m -142.86 142.19 21.76 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.526 0.78 . . . . 0.0 110.373 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 128.8 11.79 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.522 1.801 . . . . 0.0 111.037 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.65 -26.36 9.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . 0.511 ' N ' ' CD ' ' A' ' 167' ' ' PRO . 0.4 OUTLIER -50.91 -52.27 59.22 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 167' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 166' ' ' ASP . 18.1 Cg_endo -75.06 -38.15 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.559 1.82 . . . . 0.0 110.954 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 168' ' ' ILE . . . . . 0.437 ' CG2' HD22 ' A' ' 155' ' ' LEU . 0.0 OUTLIER -59.61 -39.11 78.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.277 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 169' ' ' LEU . . . . . 0.491 HD12 ' CD1' ' A' ' 155' ' ' LEU . 13.1 tp -59.49 -64.98 0.75 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.425 1.078 . . . . 0.0 109.344 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 17.6 ptt85 -51.45 -21.07 2.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.408 1.068 . . . . 0.0 110.265 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 171' ' ' SER . . . . . 0.503 ' O ' ' CB ' ' A' ' 175' ' ' SER . 0.2 OUTLIER -80.98 -38.18 28.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.971 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.469 ' CD1' HD22 ' A' ' 155' ' ' LEU . 10.5 mt -74.76 -24.21 58.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 173' ' ' ALA . . . . . 0.489 ' O ' ' CB ' ' A' ' 177' ' ' ALA . . . -79.97 -44.75 19.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.567 1.167 . . . . 0.0 109.32 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 174' ' ' TYR . . . . . 0.446 ' O ' ' N ' ' A' ' 176' ' ' ASN . 6.6 t80 -95.32 -73.57 0.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.971 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 175' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 171' ' ' SER . 0.2 OUTLIER -38.4 -30.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.063 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 176' ' ' ASN . . . . . 0.455 ' OD1' ' CD2' ' A' ' 137' ' ' LEU . 4.2 m-80 -122.94 59.82 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 177' ' ' ALA . . . . . 0.489 ' CB ' ' O ' ' A' ' 173' ' ' ALA . . . -125.24 148.34 48.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.344 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 178' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 140' ' ' LEU . 0.7 OUTLIER -51.84 -177.25 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -73.61 -59.41 2.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.352 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.0 -36.21 49.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 110.213 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 181' ' ' CYS . . . . . 0.451 ' SG ' ' CD2' ' A' ' 144' ' ' TYR . 45.2 t -67.4 -65.13 0.73 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 0.0 108.249 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.88 -42.05 25.85 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.47 1.106 . . . . 0.0 110.255 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 15.5 ttpp -61.76 -34.73 76.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.451 1.094 . . . . 0.0 109.255 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . 0.539 ' CD2' ' C ' ' A' ' 184' ' ' LEU . 2.5 tt -67.78 -60.76 2.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 185' ' ' LEU . . . . . 0.456 ' CD2' ' SD ' ' A' ' 198' ' ' MET . 4.7 mt -49.41 -52.35 29.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 186' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -58.97 -52.57 65.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.332 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -55.87 -25.18 41.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 188' ' ' ARG . . . . . 0.474 ' CD ' ' HB2' ' A' ' 201' ' ' ALA . 0.0 OUTLIER -80.58 -23.54 39.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.328 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 64.48 67.79 1.91 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.545 1.153 . . . . 0.0 110.928 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 190' ' ' HIS . . . . . 0.621 ' CG ' ' O ' ' A' ' 190' ' ' HIS . 0.2 OUTLIER -171.09 37.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 0.773 . . . . 0.0 109.57 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 1.1 p -63.71 -47.69 80.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.354 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -82.59 59.64 4.79 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 193' ' ' SER . . . . . 0.548 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER -134.97 -179.34 1.05 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.991 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . 0.548 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.6 Cg_endo -74.94 176.44 9.89 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.473 1.775 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 195' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 198' ' ' MET . 6.1 tp -72.86 -50.36 24.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 109.35 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -42.9 -45.96 6.01 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.465 1.103 . . . . 0.0 111.074 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -67.09 -35.9 80.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 0.768 . . . . 0.0 109.271 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 198' ' ' MET . . . . . 0.456 ' SD ' ' CD2' ' A' ' 185' ' ' LEU . 5.5 mmm -65.54 -23.03 66.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 199' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -85.62 -22.87 27.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 200' ' ' ARG . . . . . 0.415 ' O ' ' CD ' ' A' ' 203' ' ' GLN . 5.8 ttm180 -86.16 -11.65 51.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.412 1.07 . . . . 0.0 110.311 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 201' ' ' ALA . . . . . 0.474 ' HB2' ' CD ' ' A' ' 188' ' ' ARG . . . -96.72 -35.57 10.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.345 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 202' ' ' CYS . . . . . 0.596 ' CB ' ' CD1' ' A' ' 144' ' ' TYR . 2.0 m -87.04 -12.55 46.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 108.309 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 203' ' ' GLN . . . . . 0.458 ' HG3' ' N ' ' A' ' 204' ' ' THR . 13.9 pt20 -45.35 -50.25 12.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 204' ' ' THR . . . . . 0.458 ' N ' ' HG3' ' A' ' 203' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.429 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.576 ' HA ' ' CE1' ' A' ' 48' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.498 0.19 . . . . 0.0 110.942 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -84.17 161.51 20.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -66.12 -46.73 76.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.098 . . . . 0.0 111.032 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 19' ' ' ASP . 5.3 pttt -50.25 -47.37 55.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.583 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -58.53 -48.57 80.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.573 1.171 . . . . 0.0 109.339 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.471 ' CD2' HD11 ' A' ' 58' ' ' LEU . 1.9 mt -61.71 -34.65 76.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.65 -52.57 60.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.345 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.83 -33.15 48.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.427 ' HA ' ' CG ' ' A' ' 26' ' ' GLU . 67.6 mt -65.6 -46.31 89.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.6 tttm -49.94 -33.21 16.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.5 -71.65 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.427 ' CG ' ' HA ' ' A' ' 23' ' ' ILE . 10.0 pt-20 -45.15 -30.2 1.1 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 110.256 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 30' ' ' ALA . 38.7 t -73.07 -54.02 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -45.75 -36.38 5.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.086 . . . . 0.0 110.006 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.17 -36.81 84.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 110.313 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 27' ' ' VAL . . . -43.85 165.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -110.34 169.81 5.97 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.58 1.175 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 115.22 4.22 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.484 1.781 . . . . 0.0 110.976 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 61.29 53.11 47.11 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.421 1.075 . . . . 0.0 111.021 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.99 158.8 74.16 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.533 0.784 . . . . 0.0 109.972 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.12 49.29 2.25 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.488 1.783 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -121.62 -59.24 1.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.428 ' N ' ' HB3' ' A' ' 30' ' ' ALA . 11.5 t80 -59.61 -58.64 7.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.471 ' HE3' ' CD2' ' A' ' 118' ' ' LEU . 0.0 OUTLIER -52.08 -49.61 63.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 111.001 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -50.29 -40.05 47.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.283 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 63.3 m -64.22 -29.59 70.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.423 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.421 HG23 ' CD2' ' A' ' 118' ' ' LEU . 3.8 mm -74.54 -40.03 48.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.445 1.091 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.411 ' O ' ' N ' ' A' ' 45' ' ' VAL . 1.8 mmm180 -66.59 -57.51 7.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 110.297 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.49 -29.29 24.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -84.11 -25.56 29.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.429 1.08 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.474 HG21 ' CD1' ' A' ' 118' ' ' LEU . 0.4 OUTLIER -73.52 -17.57 17.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -111.82 -64.46 1.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.309 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -44.85 -34.62 2.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.338 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.583 ' CE2' ' HB3' ' A' ' 19' ' ' ASP . 0.1 OUTLIER -101.79 -44.18 5.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.969 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.424 ' N ' ' HD3' ' A' ' 50' ' ' PRO . 2.7 t70 67.64 63.83 0.7 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.339 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.453 ' CD ' ' HA ' ' A' ' 45' ' ' VAL . 18.4 Cg_endo -75.01 163.08 36.02 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.562 1.822 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.5 p -113.66 -173.92 2.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.41 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.19 -37.35 54.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -68.66 -70.37 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 0.0 109.324 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -42.39 -31.48 0.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.525 HD13 ' CG ' ' A' ' 117' ' ' TRP . 20.0 mt -75.51 -48.09 24.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 53' ' ' LYS . 15.3 tp60 -49.02 -50.1 37.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 110.303 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.45 ' C ' ' N ' ' A' ' 59' ' ' LEU . 4.2 t70 -70.02 -63.3 1.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.471 HD11 ' CD2' ' A' ' 20' ' ' LEU . 29.0 tp -39.61 -29.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.468 HD12 ' CG ' ' A' ' 71' ' ' HIS . 20.5 tp -71.78 -55.28 7.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 57' ' ' ASP . 0.1 OUTLIER -87.78 23.55 1.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.306 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.402 ' OH ' ' O ' ' A' ' 20' ' ' LEU . 4.3 t80 -121.25 -38.84 2.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 111.033 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.3 mt -92.91 -59.34 2.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 68.5 m -81.1 -175.56 5.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 0.0 108.388 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.11 162.79 13.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 110.042 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.0 p -50.55 -41.69 54.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.002 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.7 tp -55.84 -66.18 0.47 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.428 HG12 ' CD1' ' A' ' 124' ' ' LEU . 2.8 t -45.76 -42.37 3.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.85 -51.88 67.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 68.5 p -57.39 -54.22 49.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 109.971 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 62.5 mt -50.69 -52.58 38.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.468 ' CG ' HD12 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -55.95 -43.91 77.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.625 179.926 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -54.91 -23.51 19.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.652 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -82.21 -71.84 0.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.275 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.404 ' NE2' ' HA ' ' A' ' 71' ' ' HIS . 1.7 pt20 -47.11 -33.05 4.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.583 1.177 . . . . 0.0 110.27 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.435 HD21 ' CB ' ' A' ' 120' ' ' ALA . 1.3 tm? -74.42 -48.15 29.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.347 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.8 -49.26 20.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.59 -44.4 96.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.954 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.406 HD21 ' CB ' ' A' ' 116' ' ' LEU . 0.4 OUTLIER -53.91 -48.71 69.88 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.467 HD11 ' CD2' ' A' ' 97' ' ' LEU . 11.0 mm -50.5 -51.46 18.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.428 1.08 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.56 -28.9 34.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.002 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -64.92 -40.31 94.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.436 ' O ' ' CG1' ' A' ' 87' ' ' ILE . . . -66.53 -57.66 6.83 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -56.42 -36.89 69.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.276 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.3 m -60.16 -45.1 94.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.42 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -72.02 -5.02 32.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.322 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 87' ' ' ILE . . . 86.52 -18.08 35.74 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.453 1.096 . . . . 0.0 111.004 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.49 ' HB ' ' CB ' ' A' ' 90' ' ' TYR . 13.6 mt 60.91 146.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 0.0 109.345 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 3.1 t -45.5 -55.05 6.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.393 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -155.35 61.61 0.36 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.552 1.158 . . . . 0.0 110.961 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.49 ' CB ' ' HB ' ' A' ' 87' ' ' ILE . 23.9 t80 -78.45 156.25 29.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 0.796 . . . . 0.0 110.955 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -112.03 121.46 39.43 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.359 1.104 0 O-C-N 124.495 1.787 . . . . 0.0 111.07 179.94 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 111.069 -0.397 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.467 ' CD2' HD11 ' A' ' 79' ' ' ILE . 0.8 OUTLIER -48.61 -30.37 5.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.257 -179.926 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.443 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 21.3 ptt180 -58.14 -15.67 10.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 47.7 t -92.04 -59.56 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.274 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.409 ' HG3' ' NE2' ' A' ' 106' ' ' GLN . 3.5 pt20 -56.63 -17.93 10.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.098 . . . . 0.0 110.306 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.56 -43.35 66.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 98' ' ' ARG . 18.6 p30 -92.79 30.44 1.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -99.21 130.54 26.99 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 0.0 109.272 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 49.06 2.16 Favored 'Trans proline' 0 C--N 1.361 1.231 0 O-C-N 124.408 1.741 . . . . 0.0 111.019 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -137.34 -66.16 0.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.266 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.409 ' NE2' ' HG3' ' A' ' 100' ' ' GLN . 0.0 OUTLIER -80.03 113.82 18.49 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.409 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 8.9 tm0? -99.8 -25.0 14.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 110.342 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -69.29 -52.4 22.56 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.47 1.106 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 112' ' ' GLU . 0.8 OUTLIER -66.1 -57.97 6.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 0.761 . . . . 0.0 109.298 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.495 ' C ' ' CD ' ' A' ' 110' ' ' ARG . 0.0 OUTLIER -41.1 -33.85 0.38 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.46 ' N ' ' HG3' ' A' ' 110' ' ' ARG . 0.0 OUTLIER -70.04 -46.75 64.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 110.263 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 109' ' ' LEU . 26.9 mm-40 -56.43 -45.76 80.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 110.241 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -57.52 -42.78 83.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 111.027 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -52.48 -51.79 57.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 110.356 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.65 -57.0 5.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 110.292 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.432 ' HG ' ' CD2' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -43.54 -35.21 1.6 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.477 1.11 . . . . 0.0 109.326 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.525 ' CG ' HD13 ' A' ' 55' ' ' LEU . 92.2 t90 -67.04 -53.65 29.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 108.011 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.474 ' CD1' HG21 ' A' ' 45' ' ' VAL . 50.8 mt -53.81 -32.23 51.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -59.94 -52.09 66.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 109.332 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.435 ' CB ' HD21 ' A' ' 75' ' ' LEU . . . -59.2 -35.18 73.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.233 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -70.41 -33.98 71.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -91.6 3.12 55.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.585 1.178 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -97.98 4.48 49.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.428 ' CD1' HG12 ' A' ' 67' ' ' VAL . 36.3 mt -82.11 156.62 69.3 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.142 0 O-C-N 124.57 1.826 . . . . 0.0 110.952 -179.968 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.846 0 N-CA-C 110.968 -0.435 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.9 -10.46 59.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 110.022 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.58 ' CD1' HD21 ' A' ' 155' ' ' LEU . 41.8 p-90 -74.97 -25.18 58.67 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.99 -14.1 32.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.414 1.071 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 7.2 m -122.34 28.39 7.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.003 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.468 ' CD1' ' HA ' ' A' ' 133' ' ' TRP . 10.0 mt -116.14 119.35 61.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.591 ' O ' ' CZ ' ' A' ' 147' ' ' PHE . 0.3 OUTLIER -136.11 147.76 47.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . 0.476 ' CG ' ' HA ' ' A' ' 144' ' ' TYR . 0.0 OUTLIER -77.13 117.8 19.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.313 179.934 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . 0.441 ' O ' ' NE2' ' A' ' 138' ' ' GLN . . . -67.76 147.91 48.79 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.547 1.154 . . . . 0.0 110.986 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.44 ' N ' ' ND2' ' A' ' 178' ' ' ASN . 1.9 tm? -55.67 -34.89 65.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 0.762 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -118.15 43.66 2.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -124.52 161.67 46.85 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.441 1.088 . . . . 0.0 110.337 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 104.99 2.0 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.441 1.758 . . . . 0.0 110.946 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' TYR . . . . . 0.476 ' HA ' ' CG ' ' A' ' 138' ' ' GLN . 27.0 t80 -60.64 -60.43 3.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.15 . . . . 0.0 110.975 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -47.38 -50.52 22.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.536 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -61.0 -27.87 68.63 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . 0.591 ' CZ ' ' O ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -76.16 -41.73 48.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 0.0 111.002 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 57.7 t -58.94 -47.13 90.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -58.3 -53.52 57.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.368 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 1.3 mtm180 -59.07 -35.52 73.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.317 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.86 -40.49 84.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.575 1.172 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -64.02 -45.53 88.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 156' ' ' ASP . 1.8 mp -63.24 -67.62 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.49 1.119 . . . . 0.0 109.255 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -41.31 -30.74 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 0.58 HD21 ' CD1' ' A' ' 133' ' ' TRP . 3.6 mt -76.29 -50.15 15.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 153' ' ' ILE . 20.8 t70 -52.15 -21.48 3.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -92.29 -25.23 18.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.221 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 155' ' ' LEU . . . -134.56 53.42 0.78 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.496 1.123 . . . . 0.0 110.964 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.478 HD21 ' CD1' ' A' ' 168' ' ' ILE . 0.2 OUTLIER -166.15 101.96 0.71 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.517 0.775 . . . . 0.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 167.48 26.94 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.454 1.765 . . . . 0.0 110.985 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 163' ' ' THR . 1.7 mt-10 -65.03 -55.36 19.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 110.346 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -38.03 -30.04 0.07 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.524 1.14 . . . . 0.0 110.991 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 163' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 161' ' ' GLU . 1.2 m -100.02 142.49 24.71 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.469 0.747 . . . . 0.0 110.386 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 164' ' ' PRO . . . . . 0.439 ' N ' HG22 ' A' ' 163' ' ' THR . 18.2 Cg_endo -75.02 138.73 23.36 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.54 1.811 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 165' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 166' ' ' ASP . 0.0 OUTLIER -119.44 -41.1 2.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . 0.536 ' CB ' ' HD3' ' A' ' 167' ' ' PRO . 0.1 OUTLIER -38.65 -54.47 2.97 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 167' ' ' PRO . . . . . 0.536 ' HD3' ' CB ' ' A' ' 166' ' ' ASP . 18.4 Cg_endo -74.99 -47.39 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.489 1.784 . . . . 0.0 110.98 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 168' ' ' ILE . . . . . 0.478 ' CD1' HD21 ' A' ' 159' ' ' LEU . 0.0 OUTLIER -46.67 -29.15 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.572 1.17 . . . . 0.0 109.274 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 169' ' ' LEU . . . . . 0.489 HD11 ' CD1' ' A' ' 155' ' ' LEU . 4.0 tp -65.64 -63.28 1.13 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.512 1.133 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . 0.47 ' O ' ' CB ' ' A' ' 174' ' ' TYR . 0.9 OUTLIER -52.31 -34.88 48.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 110.279 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.05 -18.55 61.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 110.038 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.498 HD21 ' CE3' ' A' ' 133' ' ' TRP . 33.3 mt -91.95 -46.48 7.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.359 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -71.66 -6.34 40.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.08 . . . . 0.0 109.283 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 174' ' ' TYR . . . . . 0.47 ' CB ' ' O ' ' A' ' 170' ' ' ARG . 52.8 t80 -107.57 -69.0 0.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.29 -57.26 12.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.054 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -83.84 54.86 3.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 177' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 178' ' ' ASN . . . -135.7 140.3 44.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.561 1.163 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 178' ' ' ASN . . . . . 0.44 ' ND2' ' N ' ' A' ' 140' ' ' LEU . 0.5 OUTLIER -51.57 -177.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.84 -65.09 0.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.254 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.31 -33.79 2.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 181' ' ' CYS . . . . . . . . . . . . . 7.2 m -64.8 -69.8 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 108.315 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . 0.439 ' O ' ' NE2' ' A' ' 186' ' ' GLN . 0.6 OUTLIER -49.91 -40.49 43.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 110.27 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.27 -34.37 77.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . 0.47 ' CD2' ' HG3' ' A' ' 188' ' ' ARG . 2.1 tt -64.43 -58.44 6.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 185' ' ' LEU . . . . . 0.409 HD21 ' NE2' ' A' ' 190' ' ' HIS . 8.6 mt -50.42 -53.32 30.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 186' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 182' ' ' GLN . 1.0 OUTLIER -55.66 -53.31 58.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 110.235 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -49.16 -50.14 39.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 188' ' ' ARG . . . . . 0.47 ' HG3' ' CD2' ' A' ' 184' ' ' LEU . 0.0 OUTLIER -58.13 -21.64 47.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.336 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 189' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 186' ' ' GLN . . . 75.38 30.25 58.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.425 1.078 . . . . 0.0 111.011 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 190' ' ' HIS . . . . . 0.564 ' CE1' ' HB3' ' A' ' 197' ' ' ASP . 0.4 OUTLIER -138.67 107.79 6.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.429 0.723 . . . . 0.0 109.653 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 3.2 p -120.06 -53.4 2.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.391 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -86.46 48.15 1.58 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 193' ' ' SER . . . . . 0.528 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER -117.12 179.57 0.79 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.98 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . 0.528 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.4 Cg_endo -74.93 153.8 42.37 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.467 1.772 . . . . 0.0 111.064 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 195' ' ' LEU . . . . . 0.47 ' HG ' ' CD2' ' A' ' 199' ' ' LEU . 6.7 tp -52.74 -43.08 65.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -44.54 -39.63 5.93 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.514 1.134 . . . . 0.0 111.099 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 197' ' ' ASP . . . . . 0.564 ' HB3' ' CE1' ' A' ' 190' ' ' HIS . 0.3 OUTLIER -73.5 -36.28 65.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 0.727 . . . . 0.0 109.245 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 198' ' ' MET . . . . . 0.428 ' N ' ' O ' ' A' ' 195' ' ' LEU . 90.1 mtp -65.58 -32.55 74.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 199' ' ' LEU . . . . . 0.47 ' CD2' ' HG ' ' A' ' 195' ' ' LEU . 3.6 mm? -80.62 -21.63 41.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.343 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.28 -10.95 51.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 110.313 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -95.47 -37.91 10.69 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.413 1.071 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 202' ' ' CYS . . . . . . . . . . . . . 19.1 p -82.81 -21.13 34.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 108.288 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -39.14 -35.47 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.423 1.077 . . . . 0.0 110.247 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 5.1 t . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.378 1.049 . . . . 0.0 110.368 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.534 ' HE2' ' CE1' ' A' ' 48' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.261 0 CA-C-O 120.475 0.178 . . . . 0.0 110.957 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -177.8 148.55 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.57 1.168 . . . . 0.0 110.264 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.7 tpt -52.23 -25.76 10.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.9 pttt -80.02 -36.38 35.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -63.56 -43.49 96.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.523 ' HB3' ' CE2' ' A' ' 61' ' ' TYR . 24.8 mt -63.4 -44.47 94.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.73 -46.58 77.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.261 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.93 -50.28 71.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.37 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.492 ' O ' ' CG2' ' A' ' 27' ' ' VAL . 35.2 mt -49.75 -44.55 20.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -58.63 -32.33 68.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -74.16 -65.62 0.82 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 110.299 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.473 ' CG ' ' HA ' ' A' ' 23' ' ' ILE . 4.2 pt-20 -52.72 -20.35 3.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.454 1.096 . . . . 0.0 110.264 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 23' ' ' ILE . 39.1 t -87.56 -49.49 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.6 m -48.79 -28.78 3.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.997 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.43 -31.98 48.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 110.272 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 27' ' ' VAL . . . -46.17 167.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -101.64 163.81 17.11 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.356 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 122.59 7.31 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.484 1.781 . . . . 0.0 111.027 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 55.6 41.64 82.38 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.533 1.146 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.1 m -123.85 157.06 64.38 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.524 0.779 . . . . 0.0 109.983 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 50.08 2.43 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.507 1.793 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -121.43 -49.19 2.16 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 110.267 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.493 ' CE1' HD13 ' A' ' 41' ' ' ILE . 1.5 t80 -66.77 -64.37 0.87 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 111.03 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.41 ' CE ' HD21 ' A' ' 118' ' ' LEU . 8.1 tpt -46.0 -39.82 9.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -58.7 -47.61 83.95 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.515 1.135 . . . . 0.0 110.272 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.451 ' CG2' ' CD ' ' A' ' 26' ' ' GLU . 1.5 m -57.82 -24.87 59.39 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.463 1.102 . . . . 0.0 110.32 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.493 HD13 ' CE1' ' A' ' 37' ' ' PHE . 6.9 mm -72.75 -56.22 10.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.085 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.19 -31.51 53.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.445 1.091 . . . . 0.0 110.265 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.9 -51.62 60.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.09 -37.57 87.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.253 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.3 t -66.18 -26.96 39.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -90.08 -15.04 32.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 110.3 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -74.99 -71.23 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.233 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.534 ' CE1' ' HE2' ' A' ' 15' ' ' MET . 0.5 OUTLIER -116.01 -26.05 7.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.976 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.405 ' OD2' ' NE2' ' A' ' 114' ' ' GLN . 1.0 OUTLIER 74.37 96.66 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 0.0 109.334 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 142.34 27.83 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.44 1.758 . . . . 0.0 111.022 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.407 ' OG1' ' OD1' ' A' ' 102' ' ' ASN . 63.7 p -79.25 -168.2 1.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.395 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.59 -31.62 72.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.281 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -70.95 -72.43 0.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.309 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -41.5 -36.48 0.89 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 109.259 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.525 ' CD1' ' CG ' ' A' ' 117' ' ' TRP . 12.4 mt -65.95 -51.04 62.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 53' ' ' LYS . 3.5 tp60 -51.48 -49.16 62.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.01 -62.19 1.56 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.8 tp -40.84 -38.9 1.01 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.591 1.182 . . . . 0.0 109.366 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.0 tp -57.95 -57.84 11.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.8 3.27 12.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.264 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.523 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 28.9 t80 -95.52 -18.59 20.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 75.1 mt -114.3 -69.14 0.88 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.339 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 9.1 p -70.04 -168.43 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 108.286 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.7 t -107.07 -164.31 0.97 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.964 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.2 m -77.24 -25.57 51.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.421 1.076 . . . . 0.0 109.9 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.446 HD11 ' CD1' ' A' ' 70' ' ' LEU . 3.3 tp -67.22 -70.47 0.25 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.2 t -50.32 -51.38 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -43.24 -39.66 3.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.279 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.9 m -74.92 -45.42 42.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.988 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.446 ' CD1' HD11 ' A' ' 66' ' ' LEU . 84.1 mt -52.89 -50.22 64.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.636 1.21 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.494 ' CE1' ' HB1' ' A' ' 120' ' ' ALA . 0.6 OUTLIER -60.51 -40.56 91.87 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.479 1.112 . . . . 0.0 109.598 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -56.05 -24.85 42.23 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 0.0 109.524 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 76' ' ' ASP . 23.6 mt-30 -82.62 -72.45 0.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.329 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -45.53 -38.45 6.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.257 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.538 ' CD1' ' CD1' ' A' ' 79' ' ' ILE . 1.4 tm? -69.46 -37.44 77.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 73' ' ' GLN . 0.2 OUTLIER -57.37 -45.73 84.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.533 1.146 . . . . 0.0 109.336 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.54 -45.46 91.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.027 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.412 HD22 ' CB ' ' A' ' 116' ' ' LEU . 7.7 tp -51.26 -52.48 44.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 0.0 109.352 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.538 ' CD1' ' CD1' ' A' ' 75' ' ' LEU . 1.0 OUTLIER -62.54 -47.34 93.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.05 -35.47 1.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.007 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -75.84 -40.36 54.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 79' ' ' ILE . . . -62.93 -64.38 0.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.58 -35.05 8.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.1 m -61.04 -40.34 93.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.416 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -81.65 -1.27 46.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 110.294 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.92 -7.96 61.43 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.6 1.187 . . . . 0.0 111.038 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.468 ' CG2' ' HG ' ' A' ' 109' ' ' LEU . 16.1 mt 55.56 169.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.447 0.734 . . . . 0.0 109.351 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.446 ' OG1' ' N ' ' A' ' 89' ' ' GLY . 61.5 p -46.08 -77.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 0.0 110.393 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.446 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -136.63 52.69 0.77 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.481 ' CE1' HD13 ' A' ' 97' ' ' LEU . 22.0 t80 -81.12 145.55 31.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 0.788 . . . . 0.0 111.028 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -111.78 98.49 41.63 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.186 0 O-C-N 124.492 1.785 . . . . 0.0 110.998 -179.978 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.865 0 N-CA-C 110.999 -0.423 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.481 HD13 ' CE1' ' A' ' 90' ' ' TYR . 13.2 tp -120.86 -38.82 2.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 23.2 ptt-85 -77.22 0.6 21.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 110.259 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 32.0 t -86.19 -72.99 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -58.57 -16.28 15.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.595 1.184 . . . . 0.0 110.342 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.94 -22.34 65.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.262 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.407 ' OD1' ' OG1' ' A' ' 51' ' ' THR . 2.9 m-80 -98.92 2.48 46.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 18.2 t30 -84.84 133.78 42.92 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.323 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -17.88 19.19 Favored 'Trans proline' 0 C--N 1.358 1.073 0 O-C-N 124.503 1.791 . . . . 0.0 110.962 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -58.4 -59.08 5.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.337 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -101.87 57.62 0.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.275 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -55.82 -20.08 13.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.592 1.183 . . . . 0.0 110.373 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -54.93 -50.55 58.18 Favored Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.448 1.093 . . . . 0.0 111.036 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.468 ' HG ' ' CG2' ' A' ' 87' ' ' ILE . 0.5 OUTLIER -73.07 -46.49 51.32 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.448 0.734 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -45.87 -38.95 7.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 110.353 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.84 -60.23 2.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.333 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.56 -24.03 0.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -79.11 -46.75 17.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.405 ' NE2' ' OD2' ' A' ' 49' ' ' ASP . 25.6 mt-30 -51.73 -48.96 63.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 110.251 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.66 -49.33 69.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.246 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.47 ' HG ' ' CD2' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -51.88 -40.13 60.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.525 ' CG ' ' CD1' ' A' ' 55' ' ' LEU . 90.1 t90 -56.4 -63.59 1.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 108.006 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.461 ' CD2' HG21 ' A' ' 41' ' ' ILE . 47.4 mt -44.64 -29.74 0.8 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.466 ' CB ' ' O ' ' A' ' 116' ' ' LEU . . . -58.48 -57.65 12.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.093 . . . . 0.0 109.329 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.494 ' HB1' ' CE1' ' A' ' 71' ' ' HIS . . . -59.41 -41.89 90.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.44 -14.62 42.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 111.062 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -117.33 4.59 12.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.334 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -98.81 -3.66 35.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.355 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 94.1 mt -63.12 148.36 92.95 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.359 1.122 0 O-C-N 124.568 1.825 . . . . 0.0 111.049 179.962 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . 0.547 ' HB3' ' CZ2' ' A' ' 133' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.891 0 N-CA-C 111.013 -0.418 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.33 -18.36 60.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 109.985 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.547 ' CZ2' ' HB3' ' A' ' 131' ' ' PRO . 15.3 p-90 -75.58 -17.69 59.97 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.548 1.155 . . . . 0.0 108.005 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.99 -10.0 44.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.19 25.01 6.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.994 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 42.8 mt -117.41 117.61 55.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.573 1.17 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.466 ' CB ' ' HB3' ' A' ' 176' ' ' ASN . 0.2 OUTLIER -137.52 161.69 35.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.933 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -91.38 123.39 34.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.324 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -67.97 160.6 50.29 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.463 1.102 . . . . 0.0 111.048 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -61.88 -36.41 81.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 0.785 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -114.17 41.5 2.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 110.218 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -125.91 160.31 57.3 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.266 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.88 124.76 8.92 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.579 1.831 . . . . 0.0 111.016 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -85.78 -41.39 15.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' HIS . . . . . 0.461 ' CD2' ' C ' ' A' ' 145' ' ' HIS . 0.6 OUTLIER -59.43 -55.46 34.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.595 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -61.9 -29.49 70.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . 0.6 ' CE1' ' CD1' ' A' ' 151' ' ' LEU . 3.5 t80 -71.52 -29.03 64.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 94.9 t -70.86 -36.89 66.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -65.19 -55.96 15.59 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.513 1.133 . . . . 0.0 110.319 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -59.59 -27.22 66.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.365 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . 0.6 ' CD1' ' CE1' ' A' ' 147' ' ' PHE . 1.2 mt -63.67 -41.63 98.16 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -66.58 -42.55 86.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.578 1.174 . . . . 0.0 109.267 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . 0.42 ' C ' ' N ' ' A' ' 155' ' ' LEU . 5.7 mt -64.56 -68.53 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -43.02 -27.77 0.22 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 158' ' ' GLY . 1.0 OUTLIER -75.33 -52.87 9.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -52.16 -20.31 2.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 109.374 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -85.04 -24.16 28.29 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 155' ' ' LEU . . . -143.88 57.2 0.54 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.555 1.159 . . . . 0.0 110.967 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.448 HD22 ' CD1' ' A' ' 168' ' ' ILE . 0.2 OUTLIER -156.46 99.35 2.1 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.51 0.771 . . . . 0.0 109.317 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 168.57 24.55 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.501 1.79 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 163' ' ' THR . 0.0 OUTLIER -64.3 -54.81 27.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 161' ' ' GLU . . . -36.89 -31.78 0.05 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.534 1.146 . . . . 0.0 111.042 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 163' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 161' ' ' GLU . 1.0 OUTLIER -100.0 142.52 24.77 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.578 0.81 . . . . 0.0 110.399 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 153.0 41.28 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.517 1.799 . . . . 0.0 110.956 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 165' ' ' LYS . . . . . 0.423 ' NZ ' ' HB3' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -120.28 -40.76 2.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . 0.541 ' CB ' ' HD3' ' A' ' 167' ' ' PRO . 0.2 OUTLIER -41.96 -54.85 6.75 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.336 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 167' ' ' PRO . . . . . 0.541 ' HD3' ' CB ' ' A' ' 166' ' ' ASP . 18.6 Cg_endo -74.91 -55.59 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.559 1.82 . . . . 0.0 111.072 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 168' ' ' ILE . . . . . 0.448 ' CD1' HD22 ' A' ' 159' ' ' LEU . 0.0 OUTLIER -39.71 -38.01 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 169' ' ' LEU . . . . . 0.47 HD12 ' CD1' ' A' ' 155' ' ' LEU . 5.4 tp -64.32 -64.72 0.81 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.629 1.206 . . . . 0.0 109.231 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . 0.495 ' O ' ' CB ' ' A' ' 174' ' ' TYR . 66.8 mtm180 -52.19 -36.16 51.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 0.0 110.298 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.77 -27.92 67.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.964 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 17.9 mt -84.48 -42.4 15.62 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 109.254 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 173' ' ' ALA . . . . . 0.407 ' O ' ' CB ' ' A' ' 177' ' ' ALA . . . -77.13 -1.29 28.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 174' ' ' TYR . . . . . 0.495 ' CB ' ' O ' ' A' ' 170' ' ' ARG . 52.3 t80 -106.91 -75.8 0.63 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.51 1.131 . . . . 0.0 111.027 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.66 -45.59 70.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.97 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 176' ' ' ASN . . . . . 0.466 ' HB3' ' CB ' ' A' ' 137' ' ' LEU . 3.4 m-20 -100.13 60.73 1.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.445 1.091 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 177' ' ' ALA . . . . . 0.538 ' O ' ' C ' ' A' ' 178' ' ' ASN . . . -136.8 65.9 1.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 178' ' ' ASN . . . . . 0.538 ' C ' ' O ' ' A' ' 177' ' ' ALA . 10.2 p-10 29.88 -147.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . 0.477 ' N ' ' CG ' ' A' ' 178' ' ' ASN . 0.2 OUTLIER -114.26 -57.03 2.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.429 1.081 . . . . 0.0 109.255 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . 0.486 ' N ' ' ND2' ' A' ' 178' ' ' ASN . 0.0 OUTLIER -41.79 -28.02 0.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.322 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 181' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 184' ' ' LEU . 14.5 t -86.93 -67.28 0.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 108.335 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . 0.429 ' O ' ' NE2' ' A' ' 186' ' ' GLN . 7.6 mt-30 -39.24 -32.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.15 -47.66 17.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.582 1.177 . . . . 0.0 109.347 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . 0.511 ' CD2' ' C ' ' A' ' 184' ' ' LEU . 2.7 tt -58.67 -50.23 74.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 185' ' ' LEU . . . . . 0.501 ' CD2' ' NE2' ' A' ' 190' ' ' HIS . 4.3 mt -51.87 -60.25 3.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 186' ' ' GLN . . . . . 0.429 ' NE2' ' O ' ' A' ' 182' ' ' GLN . 0.9 OUTLIER -53.28 -53.72 46.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.439 1.087 . . . . 0.0 110.31 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -53.6 -34.6 59.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 188' ' ' ARG . . . . . 0.474 ' CD ' ' HB3' ' A' ' 201' ' ' ALA . 0.0 OUTLIER -67.86 -31.6 71.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 67.69 61.22 5.15 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.477 1.111 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 190' ' ' HIS . . . . . 0.524 ' ND1' ' O ' ' A' ' 190' ' ' HIS . 0.9 OUTLIER -152.78 23.43 0.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 0.785 . . . . 0.0 109.571 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -53.14 -43.94 67.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 110.359 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -89.3 63.27 6.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 193' ' ' SER . . . . . 0.538 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER -146.11 179.85 1.09 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.038 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . 0.538 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.5 Cg_endo -75.03 175.25 11.5 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.477 1.777 . . . . 0.0 110.967 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 195' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 198' ' ' MET . 6.0 tp -71.54 -40.96 69.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -42.92 -36.23 2.51 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.51 1.131 . . . . 0.0 110.959 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -78.96 -38.26 37.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.58 0.812 . . . . 0.0 109.354 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 198' ' ' MET . . . . . 0.481 ' HA ' ' CE1' ' A' ' 190' ' ' HIS . 67.8 mmm -51.65 -42.5 62.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 111.034 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 199' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -80.25 -26.58 38.96 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.23 -7.43 57.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.261 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 201' ' ' ALA . . . . . 0.474 ' HB3' ' CD ' ' A' ' 188' ' ' ARG . . . -100.69 -37.11 8.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.167 . . . . 0.0 109.352 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 202' ' ' CYS . . . . . . . . . . . . . 14.2 p -84.71 -14.25 48.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 108.34 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 203' ' ' GLN . . . . . 0.429 ' HG3' ' N ' ' A' ' 204' ' ' THR . 17.1 pt20 -49.41 -43.84 44.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 110.271 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 204' ' ' THR . . . . . 0.429 ' N ' ' HG3' ' A' ' 203' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 110.438 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.582 ' CB ' ' CD1' ' A' ' 48' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.499 0.19 . . . . 0.0 110.979 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.417 ' HG3' ' N ' ' A' ' 17' ' ' MET . 12.2 pt20 -156.3 -155.82 0.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.264 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.456 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -60.01 -57.82 11.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 19' ' ' ASP . 0.5 OUTLIER -44.85 -33.59 2.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.395 1.059 . . . . 0.0 109.257 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.481 ' OD2' ' CD2' ' A' ' 48' ' ' PHE . 1.3 m-20 -77.45 -40.73 42.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 17' ' ' MET . 46.5 mt -68.49 -31.39 70.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.433 ' NE2' ' OH ' ' A' ' 61' ' ' TYR . 99.4 mm-40 -67.06 -47.76 70.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.55 -42.24 98.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.461 ' O ' ' CG2' ' A' ' 27' ' ' VAL . 32.0 mt -54.14 -54.45 20.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.7 ttpp -52.49 -29.66 26.07 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -70.57 -71.04 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.409 ' CD ' ' CG2' ' A' ' 40' ' ' THR . 3.7 pt-20 -49.51 -31.03 9.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.561 HG11 ' CD1' ' A' ' 37' ' ' PHE . 59.8 t -68.07 -52.43 38.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.1 p -46.11 -33.41 3.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 1.172 . . . . 0.0 109.994 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -69.79 -37.59 76.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 110.277 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 27' ' ' VAL . . . -47.72 166.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.233 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.437 ' CB ' ' OG ' ' A' ' 34' ' ' SER . . . -104.7 163.22 17.66 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 117.31 4.85 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 64.78 43.66 95.89 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.461 1.1 . . . . 0.0 110.989 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.437 ' OG ' ' CB ' ' A' ' 31' ' ' ALA . 56.6 p -129.5 156.71 78.18 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.464 0.743 . . . . 0.0 109.971 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 49.38 2.24 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.591 1.838 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 19.0 tp60 -121.53 -47.26 2.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.303 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.561 ' CD1' HG11 ' A' ' 27' ' ' VAL . 5.0 t80 -66.52 -65.44 0.68 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 111.026 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.466 ' HE3' ' CD2' ' A' ' 118' ' ' LEU . 0.0 OUTLIER -47.23 -40.34 16.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -57.94 -39.97 79.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 110.323 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.409 ' CG2' ' CD ' ' A' ' 26' ' ' GLU . 1.1 m -65.85 -24.77 66.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 110.346 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.467 HG23 ' CD2' ' A' ' 118' ' ' LEU . 20.1 mm -70.65 -36.28 64.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.52 -33.74 64.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.249 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.2 tp -63.32 -34.27 77.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.425 ' HB1' ' CZ ' ' A' ' 48' ' ' PHE . . . -80.14 -39.1 30.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.43 ' HA ' ' CD ' ' A' ' 50' ' ' PRO . 0.4 OUTLIER -71.54 -9.28 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? -109.3 -31.75 7.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -63.48 -61.45 2.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 110.251 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.582 ' CD1' ' CB ' ' A' ' 15' ' ' MET . 0.2 OUTLIER -119.33 -36.37 3.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.985 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 48' ' ' PHE . 6.4 t0 82.09 96.54 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.58 1.175 . . . . 0.0 109.351 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.43 ' CD ' ' HA ' ' A' ' 45' ' ' VAL . 18.3 Cg_endo -75.0 124.31 8.53 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.447 1.762 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 34.4 p -63.64 -177.01 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.389 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.64 -45.68 66.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.95 -61.88 2.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.352 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -47.16 -36.82 9.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.26 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.489 HD22 ' CZ3' ' A' ' 117' ' ' TRP . 15.1 mt -68.3 -49.09 62.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.1 tp60 -50.76 -48.06 59.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.587 1.179 . . . . 0.0 110.287 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.416 ' C ' ' N ' ' A' ' 59' ' ' LEU . 0.4 OUTLIER -70.04 -56.95 5.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.426 HD13 ' CD2' ' A' ' 20' ' ' LEU . 21.1 tp -45.72 -25.97 0.57 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.464 HD22 ' CD2' ' A' ' 71' ' ' HIS . 39.9 tp -74.85 -53.28 9.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.93 23.55 2.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.208 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.433 ' OH ' ' NE2' ' A' ' 21' ' ' GLN . 42.4 t80 -119.4 -32.57 4.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.7 mt -97.71 -60.96 1.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.564 1.165 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.415 ' SG ' ' O ' ' A' ' 59' ' ' LEU . 13.6 p -84.74 -174.69 5.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 108.352 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 13.6 t -94.02 -173.66 3.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.018 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.0 t -71.74 -31.81 67.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.965 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.0 tp -57.71 -67.56 0.32 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.466 HG12 ' CD1' ' A' ' 124' ' ' LEU . 2.2 t -50.14 -52.26 14.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -46.67 -37.9 9.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.216 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.1 p -72.69 -50.33 25.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.147 . . . . 0.0 110.033 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 71.5 mt -52.02 -53.08 46.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.464 ' CD2' HD22 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -55.32 -43.0 74.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.081 . . . . 0.0 109.605 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -56.09 -22.4 27.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.646 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -81.13 -71.0 0.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.163 . . . . 0.0 110.358 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.408 ' OE1' ' O ' ' A' ' 120' ' ' ALA . 0.0 OUTLIER -49.37 -35.79 19.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.13 . . . . 0.0 110.288 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.42 ' CD2' ' HG ' ' A' ' 116' ' ' LEU . 1.2 tm? -72.11 -44.94 62.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -48.56 -49.1 37.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.079 . . . . 0.0 109.351 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.8 t -61.81 -37.13 83.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.978 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.465 HD22 ' CB ' ' A' ' 116' ' ' LEU . 12.3 tp -62.41 -41.59 98.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.076 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.407 ' CG2' HD23 ' A' ' 97' ' ' LEU . 18.4 mm -55.48 -52.94 41.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.5 t -51.28 -33.52 28.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.955 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -60.94 -43.88 98.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 110.283 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.73 -62.27 1.49 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -47.29 -33.89 6.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.1 m -65.68 -45.69 81.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 110.458 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -75.89 -3.54 35.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.254 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.69 -8.14 60.19 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.484 1.115 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.519 HD13 ' CG ' ' A' ' 90' ' ' TYR . 28.8 mt 57.11 163.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.56 0.8 . . . . 0.0 109.221 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.6 t -49.51 -59.75 3.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.371 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -153.69 54.16 0.44 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.449 1.093 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.519 ' CG ' HD13 ' A' ' 87' ' ' ILE . 48.7 t80 -79.53 154.0 29.13 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 0.754 . . . . 0.0 110.982 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -110.57 99.05 39.7 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.129 0 O-C-N 124.573 1.828 . . . . 0.0 111.015 -179.954 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.452 -0.919 0 N-CA-C 111.064 -0.399 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.458 HD13 ' CE1' ' A' ' 90' ' ' TYR . 34.2 tp -120.37 -47.78 2.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.12 -26.58 67.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 45.5 t -61.92 -47.73 91.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.167 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 29.1 mp0 -69.08 -35.16 76.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 0.0 110.33 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.2 -36.11 76.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -81.62 -11.02 59.27 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.454 1.096 . . . . 0.0 109.266 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -81.32 125.34 79.29 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.05 47.08 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.501 1.79 . . . . 0.0 110.995 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -145.86 17.59 1.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -143.55 61.59 1.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 110.291 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -30.48 69.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -65.96 -53.08 32.45 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.433 1.083 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.477 ' HG ' ' CG2' ' A' ' 87' ' ' ILE . 1.1 mt -71.37 -42.71 68.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 0.736 . . . . 0.0 109.242 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -48.11 -46.15 33.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 114' ' ' GLN . 61.3 mtt180 -69.88 -61.79 1.64 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 110.314 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.44 ' HG3' ' N ' ' A' ' 113' ' ' TYR . 0.0 OUTLIER -42.77 -27.12 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.588 1.18 . . . . 0.0 110.278 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.44 ' N ' ' HG3' ' A' ' 112' ' ' GLU . 7.2 t80 -76.72 -43.76 36.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 111' ' ' ARG . 53.4 mm-40 -52.26 -38.63 58.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.331 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -78.96 -59.08 2.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.087 . . . . 0.0 110.253 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.465 ' CB ' HD22 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -44.52 -37.31 3.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.19 -179.911 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.579 ' CH2' ' CE2' ' A' ' 121' ' ' PHE . 61.2 t90 -66.05 -60.22 3.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 107.977 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.467 ' CD2' HG23 ' A' ' 41' ' ' ILE . 74.7 mt -51.03 -25.44 4.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.103 . . . . 0.0 109.318 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.45 -65.44 0.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.408 ' O ' ' OE1' ' A' ' 74' ' ' GLN . . . -50.65 -45.04 57.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.579 ' CE2' ' CH2' ' A' ' 117' ' ' TRP . 0.4 OUTLIER -57.02 -31.54 65.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.155 . . . . 0.0 110.942 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -101.57 10.08 40.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -105.42 -0.07 26.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.466 ' CD1' HG12 ' A' ' 67' ' ' VAL . 82.4 mt -62.78 154.9 73.34 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.173 0 O-C-N 124.417 1.746 . . . . 0.0 111.016 179.991 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.882 0 N-CA-C 111.073 -0.395 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 72.4 m -75.1 -29.44 60.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.013 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.564 ' CD1' HD21 ' A' ' 155' ' ' LEU . 29.3 p-90 -75.37 -13.11 60.38 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.554 1.159 . . . . 0.0 107.976 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.09 -9.43 46.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.133 . . . . 0.0 109.268 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 71.0 m -131.28 31.13 4.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 109.964 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.48 ' CD1' ' HA ' ' A' ' 133' ' ' TRP . 97.0 mt -118.87 115.85 49.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.591 ' O ' ' CZ ' ' A' ' 147' ' ' PHE . 0.7 OUTLIER -136.26 162.28 33.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.574 1.171 . . . . 0.0 109.349 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . 0.475 ' CA ' ' OE1' ' A' ' 138' ' ' GLN . 4.9 tp60 -93.0 98.96 11.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 110.266 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . 0.472 ' O ' ' NE2' ' A' ' 138' ' ' GLN . . . -63.34 154.15 45.23 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.436 1.085 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -66.38 -24.26 66.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 0.765 . . . . 0.0 109.307 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -117.04 40.71 2.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.271 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -139.99 159.6 63.77 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.235 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 110.27 3.08 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.475 1.776 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -71.69 -48.35 47.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' HIS . . . . . 0.451 ' CD2' ' C ' ' A' ' 145' ' ' HIS . 0.7 OUTLIER -52.09 -53.74 38.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.534 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -59.42 -40.03 85.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.233 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . 0.591 ' CZ ' ' O ' ' A' ' 137' ' ' LEU . 0.1 OUTLIER -58.62 -46.0 88.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 111.007 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 25.3 t -54.81 -42.54 62.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -61.56 -60.77 3.19 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.135 . . . . 0.0 110.328 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.09 -26.9 41.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.343 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . 0.462 ' HB3' ' CD1' ' A' ' 169' ' ' LEU . 1.3 mt -64.68 -53.31 49.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.577 1.173 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -57.85 -37.98 74.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 39.2 mt -65.88 -69.67 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.354 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -43.87 -29.74 0.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.259 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 0.564 HD21 ' CD1' ' A' ' 133' ' ' TRP . 9.2 mt -74.17 -51.1 16.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -53.62 -20.19 4.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -115.04 24.55 11.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.248 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -173.27 33.13 0.11 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.506 1.128 . . . . 0.0 110.96 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 155' ' ' LEU . 0.2 OUTLIER -148.23 109.19 3.67 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.748 . . . . 0.0 109.287 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 154.69 42.74 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.572 1.828 . . . . 0.0 111.072 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -66.13 -39.36 89.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 110.324 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -40.27 -32.65 0.44 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -115.42 147.86 39.64 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.488 0.758 . . . . 0.0 110.391 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 147.82 34.82 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.536 1.808 . . . . 0.0 111.035 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.45 -30.32 7.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . 0.516 ' N ' ' CD ' ' A' ' 167' ' ' PRO . 0.2 OUTLIER -41.1 -51.92 7.39 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 167' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 166' ' ' ASP . 18.4 Cg_endo -74.96 -52.42 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.54 1.81 . . . . 0.0 110.981 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 168' ' ' ILE . . . . . 0.473 ' CG2' HD22 ' A' ' 155' ' ' LEU . 0.0 OUTLIER -45.91 -44.08 4.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.587 1.18 . . . . 0.0 109.344 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 169' ' ' LEU . . . . . 0.462 ' CD1' ' HB3' ' A' ' 151' ' ' LEU . 20.0 tp -63.26 -67.06 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . 0.43 ' HB3' ' NH1' ' A' ' 170' ' ' ARG . 10.5 ttp-105 -43.57 -28.84 0.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.362 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 171' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 175' ' ' SER . 0.2 OUTLIER -78.6 -49.42 13.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.99 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 35.7 mt -56.8 -24.78 53.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.565 1.166 . . . . 0.0 109.338 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -87.91 -69.82 0.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 174' ' ' TYR . . . . . 0.466 ' O ' ' N ' ' A' ' 176' ' ' ASN . 14.1 t80 -66.6 -67.73 0.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 0.0 111.019 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 175' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 171' ' ' SER . 0.3 OUTLIER -37.53 -31.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.015 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 176' ' ' ASN . . . . . 0.492 ' HB3' ' CD2' ' A' ' 137' ' ' LEU . 38.4 m-20 -126.25 55.05 1.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 177' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 174' ' ' TYR . . . -115.57 142.25 46.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 178' ' ' ASN . . . . . 0.62 ' ND2' ' H ' ' A' ' 181' ' ' CYS . 7.1 p-10 -53.54 -172.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . 0.42 ' C ' ' N ' ' A' ' 181' ' ' CYS . 0.2 OUTLIER -76.09 -62.87 1.46 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -44.23 -25.2 0.21 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.543 1.152 . . . . 0.0 110.295 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 181' ' ' CYS . . . . . 0.62 ' H ' ' ND2' ' A' ' 178' ' ' ASN . 1.2 m -81.7 -69.04 0.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 108.327 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . 0.44 ' O ' ' NE2' ' A' ' 186' ' ' GLN . 4.5 mt-30 -43.2 -39.25 2.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -41.48 75.9 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . 0.504 ' CD2' ' C ' ' A' ' 184' ' ' LEU . 3.0 tt -64.74 -57.66 8.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 185' ' ' LEU . . . . . 0.54 ' CD2' ' NE2' ' A' ' 190' ' ' HIS . 5.4 mt -46.64 -49.87 18.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 186' ' ' GLN . . . . . 0.44 ' NE2' ' O ' ' A' ' 182' ' ' GLN . 0.9 OUTLIER -61.0 -62.05 2.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 110.279 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -47.56 -29.27 2.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.42 1.075 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.23 -38.43 68.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.338 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 189' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 186' ' ' GLN . . . 75.75 57.67 4.07 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.5 1.125 . . . . 0.0 111.067 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 190' ' ' HIS . . . . . 0.54 ' NE2' ' CD2' ' A' ' 185' ' ' LEU . 0.8 OUTLIER -154.34 23.81 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 0.801 . . . . 0.0 109.606 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -51.77 -44.65 63.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.44 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -92.9 66.73 4.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.361 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 193' ' ' SER . . . . . 0.545 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER -145.54 -179.85 1.03 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.079 . . . . 0.0 109.971 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . 0.545 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.0 Cg_endo -74.99 171.72 17.77 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.502 1.791 . . . . 0.0 110.978 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 195' ' ' LEU . . . . . 0.46 ' HG ' ' CD2' ' A' ' 199' ' ' LEU . 9.7 tp -65.81 -39.58 91.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -45.15 -38.25 6.21 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.471 1.107 . . . . 0.0 111.049 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 197' ' ' ASP . . . . . 0.424 ' HB3' ' ND1' ' A' ' 190' ' ' HIS . 8.8 m-20 -76.77 -32.58 57.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 198' ' ' MET . . . . . 0.458 ' N ' ' O ' ' A' ' 195' ' ' LEU . 68.5 mmm -61.91 -47.47 84.79 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.439 1.087 . . . . 0.0 111.021 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 199' ' ' LEU . . . . . 0.46 ' CD2' ' HG ' ' A' ' 195' ' ' LEU . 2.1 mm? -74.69 -19.72 60.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.344 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.33 -10.08 53.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -99.06 -30.45 12.32 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.463 1.102 . . . . 0.0 109.347 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 202' ' ' CYS . . . . . . . . . . . . . 13.9 p -91.4 -14.57 30.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 108.341 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 203' ' ' GLN . . . . . 0.4 ' HG3' ' N ' ' A' ' 204' ' ' THR . 9.0 pt20 -46.64 -34.23 4.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.378 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 204' ' ' THR . . . . . 0.4 ' N ' ' HG3' ' A' ' 203' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.406 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 6.5 p80 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 47.59 82.4 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.489 1.118 . . . . 0.0 109.602 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 62.98 141.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.492 1.12 . . . . 0.0 109.507 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -84.91 174.72 9.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.607 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 69.76 150.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 109.591 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.3 p -157.11 156.44 32.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.035 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 71.2 m -62.18 156.18 22.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.479 1.112 . . . . 0.0 109.967 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.36 120.1 4.61 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.55 1.156 . . . . 0.0 110.976 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 12.0 p-80 -177.18 100.28 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 0.732 . . . . 0.0 109.528 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 69.5 mt -97.86 128.86 48.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -108.64 -59.73 1.83 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.577 1.173 . . . . 0.0 110.276 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 72.48 173.17 21.57 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.496 1.123 . . . . 0.0 111.032 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.563 ' O ' ' CD2' ' A' ' 14' ' ' HIS . 0.1 OUTLIER -155.87 97.28 1.81 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 0.735 . . . . 0.0 110.283 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.563 ' CD2' ' O ' ' A' ' 13' ' ' ARG . 1.7 m170 -174.8 50.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.636 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.572 ' HG3' ' CZ ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER 52.23 100.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.164 . . . . 0.0 111.022 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.424 ' HG3' ' CG ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -80.27 -167.66 1.4 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.605 1.191 . . . . 0.0 110.235 -179.916 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.7 tpt -72.54 -57.39 4.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.424 ' CG ' ' HG3' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -47.61 -31.94 5.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.414 ' N ' ' HG3' ' A' ' 18' ' ' LYS . 38.1 m-20 -63.82 -43.64 95.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.473 ' CD2' ' CE ' ' A' ' 15' ' ' MET . 8.1 mt -71.29 -32.15 68.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 109.349 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 73.2 mm-40 -64.27 -41.99 96.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 110.336 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.29 -45.82 89.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.385 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.442 ' HA ' ' CG ' ' A' ' 26' ' ' GLU . 43.2 mt -57.35 -48.5 82.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.344 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.48 -35.96 21.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 28' ' ' SER . 6.0 mt-30 -69.55 -72.74 0.18 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.51 1.131 . . . . 0.0 110.336 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.442 ' CG ' ' HA ' ' A' ' 23' ' ' ILE . 14.0 pt-20 -44.28 -26.32 0.31 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.544 1.152 . . . . 0.0 110.296 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.441 ' CG2' HG23 ' A' ' 40' ' ' THR . 13.2 t -81.49 -43.85 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' GLN . 0.1 OUTLIER -51.25 -26.77 7.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 110.014 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.64 -37.57 56.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.38 166.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -107.07 162.98 17.93 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.411 1.069 . . . . 0.0 109.279 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 112.62 3.6 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.425 1.75 . . . . 0.0 111.047 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 72.45 49.35 20.01 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.428 1.08 . . . . 0.0 111.003 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.6 155.3 75.3 Favored Pre-proline 0 C--N 1.323 -0.545 0 O-C-N 124.518 0.775 . . . . 0.0 110.03 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 49.92 2.41 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.422 1.749 . . . . 0.0 110.966 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.5 tp60 -121.12 -47.25 2.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 110.336 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.533 ' CD2' ' N ' ' A' ' 38' ' ' MET . 3.6 t80 -66.12 -62.58 1.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.533 ' N ' ' CD2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -50.25 -47.05 55.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.96 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -53.36 -42.68 67.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.267 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.441 HG23 ' CG2' ' A' ' 27' ' ' VAL . 1.3 m -61.82 -26.14 67.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 110.37 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.463 HG22 ' CD2' ' A' ' 118' ' ' LEU . 20.1 mm -68.83 -49.68 61.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.374 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -27.1 65.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.107 . . . . 0.0 110.354 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.1 tp -69.95 -40.66 75.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.226 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.15 -39.97 71.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -69.11 -31.44 50.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -86.35 -12.33 49.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 110.245 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -80.59 -72.45 0.41 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.572 ' CZ ' ' HG3' ' A' ' 15' ' ' MET . 9.4 p90 -113.15 -25.53 8.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.941 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.403 ' OD1' ' C ' ' A' ' 48' ' ' PHE . 1.4 m-20 72.79 93.92 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 125.48 9.38 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.547 1.814 . . . . 0.0 110.967 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.469 HG21 ' CD2' ' A' ' 14' ' ' HIS . 43.5 p -58.84 -170.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.418 1.074 . . . . 0.0 110.36 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.447 ' HB1' ' CZ ' ' A' ' 113' ' ' TYR . . . -65.7 -44.54 85.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.083 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.19 -56.62 16.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -53.73 -49.6 67.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.514 HD11 ' CG ' ' A' ' 117' ' ' TRP . 13.6 mt -51.79 -41.45 61.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.85 -56.23 15.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.332 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -65.07 -51.5 61.09 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.412 1.07 . . . . 0.0 109.248 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.474 HD23 ' CH2' ' A' ' 117' ' ' TRP . 21.1 tp -46.07 -32.2 2.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 36.8 tp -69.29 -50.34 47.69 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.486 1.116 . . . . 0.0 109.247 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.81 23.52 2.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.311 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.432 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 91.3 t80 -116.44 -52.94 2.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.575 1.172 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.1 mt -98.34 -58.22 2.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.468 ' HB3' ' CG1' ' A' ' 67' ' ' VAL . 22.9 m -59.22 171.06 0.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 108.328 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.28 171.44 9.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.976 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 40.6 t -58.17 -70.75 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.986 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.6 tp -45.3 -54.22 7.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.468 ' CG1' ' HB3' ' A' ' 63' ' ' CYS . 1.4 t -46.63 -45.59 7.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.06 -42.11 62.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.7 t -65.31 -60.36 3.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.018 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 89.7 mt -46.45 -47.82 19.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.571 ' CD2' ' HB3' ' A' ' 120' ' ' ALA . 65.8 t-80 -62.84 -46.34 88.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.619 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.81 -34.27 53.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.587 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -73.38 -36.1 66.02 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.445 1.091 . . . . 0.0 110.335 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -58.72 -56.46 21.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.143 . . . . 0.0 110.346 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.47 ' CD2' ' HG ' ' A' ' 116' ' ' LEU . 4.7 mt -54.42 -53.28 56.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.73 -36.16 0.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.14 -51.49 9.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 110.013 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.476 ' HB3' ' CD1' ' A' ' 116' ' ' LEU . 4.6 tp -49.34 -52.9 25.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 82' ' ' ALA . 1.2 mp -56.94 -44.38 82.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.1 p -44.71 -35.2 2.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.991 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -77.45 -36.25 53.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 110.305 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 79' ' ' ILE . . . -69.13 -69.36 0.34 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.234 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -44.94 -37.88 4.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.362 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.5 m -59.96 -42.89 95.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.379 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.47 -0.31 41.16 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.552 1.157 . . . . 0.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.7 -8.76 61.35 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.604 1.19 . . . . 0.0 111.043 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.471 ' CG2' ' HG ' ' A' ' 109' ' ' LEU . 37.0 mt 59.48 154.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 0.759 . . . . 0.0 109.322 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.427 ' C ' ' O ' ' A' ' 87' ' ' ILE . 0.1 OUTLIER -36.3 -80.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.531 1.144 . . . . 0.0 110.431 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -134.56 54.34 0.76 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.475 1.109 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.454 ' CB ' ' HB ' ' A' ' 87' ' ' ILE . 35.6 t80 -81.18 163.75 22.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 0.765 . . . . 0.0 110.982 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.556 ' ND2' ' CD1' ' A' ' 93' ' ' LEU . 1.9 t30 -115.95 87.57 19.13 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -13.55 21.37 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.503 1.791 . . . . 0.0 110.959 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.579 ' CD2' ' C ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -76.17 -29.67 57.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 1.164 . . . . 0.0 109.279 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.37 -66.67 0.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.446 ' N ' ' CD ' ' A' ' 96' ' ' PRO . . . 134.34 -53.99 0.77 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.503 1.127 . . . . 0.0 110.933 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.446 ' CD ' ' N ' ' A' ' 95' ' ' GLY . 18.2 Cg_endo -75.03 162.48 36.98 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.439 1.757 . . . . 0.0 110.971 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.5 tp -120.65 -62.84 1.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.457 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 0.0 OUTLIER -46.05 -29.22 1.4 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 0.0 110.323 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 89.4 t -61.06 -44.99 99.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.475 ' CG ' ' OE1' ' A' ' 106' ' ' GLN . 21.8 mp0 -67.38 -32.79 73.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.95 -20.23 59.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.575 1.172 . . . . 0.0 109.338 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 98' ' ' ARG . 56.5 m-80 -102.74 1.24 34.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.245 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -80.35 125.01 82.08 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.612 1.195 . . . . 0.0 109.228 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 48.08 1.9 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 0.0 111.07 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -144.33 -45.43 0.25 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.475 ' OE1' ' CG ' ' A' ' 100' ' ' GLN . 28.6 mt-30 -79.65 108.94 13.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.302 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -103.19 -24.22 13.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 110.352 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -72.27 -48.35 25.42 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.55 1.156 . . . . 0.0 111.039 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.471 ' HG ' ' CG2' ' A' ' 87' ' ' ILE . 0.5 OUTLIER -75.85 -44.27 41.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 0.759 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.43 -46.43 37.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.16 -47.97 69.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -54.01 -35.72 62.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 110.234 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.447 ' CZ ' ' HB1' ' A' ' 52' ' ' ALA . 2.7 t80 -67.27 -39.42 86.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.82 -46.45 84.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.289 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.43 -39.76 58.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.158 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.476 ' CD1' ' HB3' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -57.36 -44.57 84.49 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.797 ' CZ2' ' CE1' ' A' ' 121' ' ' PHE . 48.2 t90 -61.47 -61.83 2.26 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.458 1.099 . . . . 0.0 108.068 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.463 ' CD2' HG22 ' A' ' 41' ' ' ILE . 85.2 mt -44.82 -31.44 1.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -58.47 -59.02 6.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.571 ' HB3' ' CD2' ' A' ' 71' ' ' HIS . . . -61.22 -32.12 71.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.797 ' CE1' ' CZ2' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -67.04 -27.6 67.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -102.79 2.41 35.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.261 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -98.01 1.92 48.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 109.352 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 61.9 mt -73.49 147.39 87.22 Favored Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 56.61 4.34 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.601 1.842 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 149.71 44.08 0.03 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.563 1.164 . . . . 0.0 111.0 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 121' ' ' PHE . 12.8 t -129.49 40.45 3.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.428 0.722 . . . . 0.0 110.082 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -162.65 -164.22 0.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.59 -173.24 4.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -158.27 157.14 28.84 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 117.61 4.98 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.493 1.786 . . . . 0.0 111.031 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.81 -27.42 57.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.974 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.503 ' CD1' HD23 ' A' ' 155' ' ' LEU . 22.2 p-90 -73.03 -15.08 61.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.17 . . . . 0.0 107.968 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.89 -11.86 42.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.64 34.48 3.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.021 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.468 ' CD1' ' HA ' ' A' ' 133' ' ' TRP . 53.2 mt -117.94 118.27 57.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.609 1.193 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -137.98 158.57 44.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.35 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . 0.425 ' HG3' ' CD2' ' A' ' 144' ' ' TYR . 0.1 OUTLIER -74.08 117.74 16.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -66.78 150.41 51.92 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.587 1.18 . . . . 0.0 111.001 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.454 ' N ' ' OD1' ' A' ' 178' ' ' ASN . 1.6 tm? -59.54 -22.07 61.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 0.736 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -135.33 53.29 1.98 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.269 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -126.0 160.7 55.57 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.311 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 144' ' ' TYR . 18.1 Cg_endo -75.02 80.88 2.34 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.576 1.829 . . . . 0.0 110.969 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . 0.608 ' CD2' ' SG ' ' A' ' 202' ' ' CYS . 30.6 t80 -36.84 -51.34 0.89 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 0.0 111.024 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . 0.417 ' HA ' ' CD1' ' A' ' 199' ' ' LEU . 1.2 t-160 -54.58 -57.9 9.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.601 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -58.45 -39.81 80.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . 0.474 ' CZ ' HD11 ' A' ' 151' ' ' LEU . 6.6 t80 -59.9 -48.29 82.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 111.044 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.501 ' CG2' ' O ' ' A' ' 144' ' ' TYR . 21.5 t -55.5 -45.99 78.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -55.77 -57.34 12.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.424 1.078 . . . . 0.0 110.278 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 153' ' ' ILE . 6.3 ttm105 -55.29 -52.48 63.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.291 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.474 HD11 ' CZ ' ' A' ' 147' ' ' PHE . 0.5 OUTLIER -41.02 -41.3 1.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -64.58 -48.4 75.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . 0.448 ' N ' ' O ' ' A' ' 150' ' ' ARG . 51.1 mt -63.54 -69.31 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 153' ' ' ILE . . . -39.64 -30.85 0.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 0.503 HD23 ' CD1' ' A' ' 133' ' ' TRP . 2.5 mt -68.45 -63.97 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.342 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -49.62 -22.82 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . 0.403 ' N ' ' C ' ' A' ' 155' ' ' LEU . 0.6 OUTLIER -65.26 -24.57 67.35 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -150.39 43.57 0.72 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.541 1.151 . . . . 0.0 110.975 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.471 HD21 ' CD2' ' A' ' 155' ' ' LEU . 0.3 OUTLIER -122.43 102.72 39.14 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.536 0.786 . . . . 0.0 109.335 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 139.71 24.76 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.425 1.75 . . . . 0.0 111.043 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -50.22 -31.8 14.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -59.92 -23.3 58.99 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.491 1.12 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 1.5 m -114.45 143.23 29.47 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.491 0.759 . . . . 0.0 110.382 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 147.96 34.81 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.42 1.747 . . . . 0.0 110.99 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 166' ' ' ASP . 0.1 OUTLIER -119.75 -39.82 2.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . 0.503 ' N ' ' CD ' ' A' ' 167' ' ' PRO . 0.5 OUTLIER -40.3 -51.97 5.99 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' PRO . . . . . 0.503 ' CD ' ' N ' ' A' ' 166' ' ' ASP . 18.3 Cg_endo -74.99 -55.26 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.552 1.817 . . . . 0.0 111.003 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -41.56 -40.67 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . 0.42 ' CD1' ' HB3' ' A' ' 151' ' ' LEU . 68.2 tp -63.02 -55.86 21.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 8.4 mtm180 -57.97 -17.75 19.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.286 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' SER . . . . . 0.45 ' O ' ' CB ' ' A' ' 175' ' ' SER . 0.2 OUTLIER -87.49 -36.18 17.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 109.969 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.466 ' CD1' HD21 ' A' ' 155' ' ' LEU . 6.0 mt -78.74 -20.62 49.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.224 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -84.75 -33.99 22.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' TYR . . . . . 0.407 ' C ' ' N ' ' A' ' 176' ' ' ASN . 5.0 t80 -107.45 -73.27 0.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 171' ' ' SER . 0.1 OUTLIER -39.9 -31.55 0.12 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.055 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . 0.407 ' N ' ' C ' ' A' ' 174' ' ' TYR . 3.7 m-80 -117.26 60.31 0.76 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.419 1.074 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -126.31 140.0 52.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.554 1.159 . . . . 0.0 109.236 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 140' ' ' LEU . 0.7 OUTLIER -46.96 172.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . 0.419 ' C ' ' N ' ' A' ' 181' ' ' CYS . 5.0 mtmm -61.13 -71.88 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.69 -26.4 0.24 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.261 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 184' ' ' LEU . 1.8 t -75.06 -65.09 0.92 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.558 1.161 . . . . 0.0 108.282 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -48.69 -33.98 11.09 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 110.314 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -71.35 -32.06 68.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.44 1.088 . . . . 0.0 109.218 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . 0.525 HD12 ' CG ' ' A' ' 205' ' ' TRP . 2.8 tt -68.84 -56.2 8.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.249 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . 0.549 ' CD2' ' NE2' ' A' ' 190' ' ' HIS . 3.1 mt -49.19 -52.19 28.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.584 1.177 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 189' ' ' GLY . 0.8 OUTLIER -60.78 -57.77 11.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.233 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -51.01 -22.6 2.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.26 -28.86 26.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.082 . . . . 0.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 189' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 186' ' ' GLN . . . 64.76 61.26 6.04 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . 0.549 ' NE2' ' CD2' ' A' ' 185' ' ' LEU . 0.4 OUTLIER -154.86 29.45 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 0.732 . . . . 0.0 109.658 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 77.4 p -56.82 -61.74 2.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.425 1.078 . . . . 0.0 110.395 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -75.25 61.36 1.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.245 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 193' ' ' SER . . . . . 0.54 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER -140.78 -179.57 1.02 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.014 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . 0.54 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.1 Cg_endo -75.09 172.56 16.11 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.455 1.766 . . . . 0.0 110.981 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 198' ' ' MET . 9.8 tp -71.01 -40.01 72.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -45.92 -36.98 7.11 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.584 1.178 . . . . 0.0 110.936 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . 0.413 ' HB3' ' ND1' ' A' ' 190' ' ' HIS . 7.3 m-20 -75.08 -32.31 61.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 0.751 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 198' ' ' MET . . . . . 0.466 ' N ' ' O ' ' A' ' 195' ' ' LEU . 71.2 mtp -63.7 -37.56 87.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 199' ' ' LEU . . . . . 0.417 ' CD1' ' HA ' ' A' ' 145' ' ' HIS . 3.0 mm? -77.03 -24.03 52.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.19 -13.34 50.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.354 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -92.13 -29.82 16.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 202' ' ' CYS . . . . . 0.608 ' SG ' ' CD2' ' A' ' 144' ' ' TYR . 64.0 m -93.91 -21.07 19.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 108.282 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 203' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 202' ' ' CYS . 13.0 pt20 -38.15 -32.35 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 204' ' ' THR . . . . . 0.419 ' N ' ' O ' ' A' ' 202' ' ' CYS . 4.6 t -114.47 -53.21 2.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.362 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 205' ' ' TRP . . . . . 0.589 ' CD1' ' O ' ' A' ' 205' ' ' TRP . 5.1 t90 42.96 55.32 4.48 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 206' ' ' THR . . . . . . . . . . . . . 5.8 t -169.46 138.7 1.65 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.405 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 103.28 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.493 1.786 . . . . 0.0 110.973 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 208' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.35 122.45 10.43 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.56 1.163 . . . . 0.0 109.286 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -117.93 126.52 52.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -178.94 146.1 0.3 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 109.269 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 66.3 p -134.86 98.11 3.94 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.495 1.122 . . . . 0.0 110.377 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.94 148.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 213' ' ' VAL . . . . . . . . . . . . . 7.1 p -109.65 150.54 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.321 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 214' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 24.4 p-80 -115.09 -55.52 2.46 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.477 1.111 . . . . 0.0 109.587 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 24.2 t60 71.7 -61.55 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.592 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -47.36 164.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.426 1.078 . . . . 0.0 109.546 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -138.32 -60.75 0.61 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.504 1.128 . . . . 0.0 109.627 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.44 161.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.4 168.72 9.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.588 1.18 . . . . 0.0 109.98 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -172.02 178.72 44.09 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.56 1.162 . . . . 0.0 110.959 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -154.87 167.42 30.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 0.753 . . . . 0.0 109.6 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.0 tp -166.19 153.71 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.332 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.79 -63.37 1.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.281 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 135.39 99.65 0.6 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.445 1.091 . . . . 0.0 110.943 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.571 ' O ' ' CD2' ' A' ' 14' ' ' HIS . 16.3 ttt85 -156.96 85.13 0.95 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 0.758 . . . . 0.0 110.29 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.571 ' CD2' ' O ' ' A' ' 13' ' ' ARG . 2.5 p-80 39.46 47.22 1.53 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 0.0 109.593 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.594 ' SD ' ' CZ ' ' A' ' 48' ' ' PHE . 1.3 tpt 178.46 85.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -98.05 163.32 12.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 110.278 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -43.68 -29.77 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 111.037 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.08 -56.02 25.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -50.58 -52.02 42.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.564 ' HB3' ' CE2' ' A' ' 61' ' ' TYR . 14.2 mt -58.78 -38.06 77.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.9 -55.19 37.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.41 ' O ' ' CD ' ' A' ' 26' ' ' GLU . . . -54.56 -41.58 69.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.5 mt -60.74 -50.71 79.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.339 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -56.28 -30.3 62.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -72.83 -72.44 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.579 1.175 . . . . 0.0 110.3 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.459 ' HG3' ' CG2' ' A' ' 40' ' ' THR . 1.0 OUTLIER -45.04 -31.53 1.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 30' ' ' ALA . 3.3 t -71.83 -54.95 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.66 -48.02 2.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.981 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -54.89 -43.33 73.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.324 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.47 ' CB ' ' HB3' ' A' ' 36' ' ' GLN . . . -52.61 170.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -114.96 163.38 19.87 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 74.71 3.93 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.498 1.789 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 142.79 -26.12 2.24 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.524 1.14 . . . . 0.0 110.958 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.14 141.22 98.22 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.472 0.748 . . . . 0.0 110.005 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 51.82 2.89 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.455 1.766 . . . . 0.0 110.939 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.47 ' HB3' ' CB ' ' A' ' 30' ' ' ALA . 2.2 tp60 -120.94 -44.84 2.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 110.292 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.51 ' CE2' ' OG ' ' A' ' 127' ' ' SER . 4.2 t80 -61.26 -61.63 2.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.405 ' N ' ' CD2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -52.14 -45.07 64.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.997 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -55.85 -44.13 77.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 110.275 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.459 ' CG2' ' HG3' ' A' ' 26' ' ' GLU . 1.1 m -57.64 -30.05 65.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 110.385 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.473 ' CG2' ' CD2' ' A' ' 118' ' ' LEU . 5.2 mm -68.47 -42.66 83.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.37 -29.21 66.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.79 -32.05 72.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.421 1.075 . . . . 0.0 109.293 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -83.16 -36.0 25.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -71.96 -25.0 23.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -95.44 -14.4 23.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 0.0 110.322 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -79.41 -76.13 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.274 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.594 ' CZ ' ' SD ' ' A' ' 15' ' ' MET . 5.2 p90 -110.24 -22.32 11.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.965 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 71.5 95.14 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.246 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.01 118.95 5.45 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.475 1.776 . . . . 0.0 110.989 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 31.5 p -56.01 164.94 1.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.416 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.405 ' HB3' ' CB ' ' A' ' 98' ' ' ARG . . . -46.36 -36.26 6.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.583 1.177 . . . . 0.0 109.31 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -62.24 -59.15 5.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.233 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -54.65 -27.8 42.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.498 HD13 ' CG ' ' A' ' 117' ' ' TRP . 12.6 mt -70.09 -46.98 63.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.076 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -52.07 -48.2 64.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.406 ' C ' ' N ' ' A' ' 59' ' ' LEU . 1.1 t70 -70.77 -53.89 13.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.259 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.1 tp -48.1 -24.43 1.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.557 HD21 ' CD2' ' A' ' 71' ' ' HIS . 34.1 tp -76.98 -50.02 14.13 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.509 1.131 . . . . 0.0 109.258 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -89.13 22.25 2.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.564 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 58.4 t80 -120.18 -36.14 3.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.2 mt -91.98 -61.96 1.52 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.415 ' SG ' ' O ' ' A' ' 59' ' ' LEU . 13.7 p -86.59 179.1 6.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 108.246 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.76 -162.59 0.79 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.123 . . . . 0.0 110.029 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 64.4 m -81.8 -37.2 27.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.011 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.2 tp -55.98 -62.46 1.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.468 HG11 ' CD1' ' A' ' 124' ' ' LEU . 2.7 t -51.11 -52.4 18.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.554 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -49.69 -36.14 24.11 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 p -71.79 -41.68 68.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.007 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 52.6 mt -61.69 -49.0 78.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.589 1.181 . . . . 0.0 109.303 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.557 ' CD2' HD21 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -61.9 -34.82 76.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.622 1.201 . . . . 0.0 109.565 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.554 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 19.8 m-70 -56.97 -36.11 69.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.414 1.071 . . . . 0.0 109.64 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -69.84 -53.54 17.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.085 . . . . 0.0 110.328 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -56.65 -45.15 81.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.472 HD12 ' CD1' ' A' ' 79' ' ' ILE . 0.2 OUTLIER -58.07 -45.99 86.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -55.39 -57.59 11.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.92 -29.39 65.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.069 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.455 ' HB3' ' CD1' ' A' ' 116' ' ' LEU . 2.1 tp -64.58 -68.3 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.472 ' CD1' HD12 ' A' ' 75' ' ' LEU . 1.3 mp -50.11 -43.98 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.0 t -46.38 -40.12 11.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.436 1.085 . . . . 0.0 109.982 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -74.58 -29.27 61.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 110.301 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 79' ' ' ILE . . . -65.75 -60.74 2.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -53.86 -38.86 65.14 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.4 m -65.09 -48.08 74.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 110.435 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.25 -0.02 23.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 110.265 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 73.4 93.01 0.11 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.441 1.088 . . . . 0.0 110.898 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.438 ' CG2' ' HG ' ' A' ' 109' ' ' LEU . 62.8 mt -57.89 151.6 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.561 0.801 . . . . 0.0 109.303 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.444 ' OG1' ' N ' ' A' ' 89' ' ' GLY . 0.1 OUTLIER -38.76 -84.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.432 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.444 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -129.2 60.26 0.68 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.512 1.132 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.445 ' CE1' HD11 ' A' ' 97' ' ' LEU . 53.8 t80 -82.12 148.46 28.52 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.472 0.748 . . . . 0.0 111.011 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.405 ' ND2' HD12 ' A' ' 93' ' ' LEU . 0.9 OUTLIER -112.6 96.24 35.82 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.413 1.071 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -28.46 9.16 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.511 1.795 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.493 ' CD2' ' C ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -56.59 -34.22 66.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 109.277 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.441 ' N ' ' CD1' ' A' ' 93' ' ' LEU . . . -65.38 -64.65 0.81 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.524 ' N ' ' CD ' ' A' ' 96' ' ' PRO . . . 124.14 -49.03 0.92 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.561 1.163 . . . . 0.0 110.948 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 95' ' ' GLY . 18.3 Cg_endo -75.04 160.7 39.71 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.412 1.743 . . . . 0.0 111.035 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.445 HD11 ' CE1' ' A' ' 90' ' ' TYR . 8.7 tp -120.77 -48.61 2.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.405 ' CB ' ' HB3' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -65.77 -16.63 63.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 110.323 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 81.8 t -73.75 -62.79 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -69.38 -6.78 32.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.273 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -83.16 -33.81 26.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.571 1.17 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.403 ' CG ' ' O ' ' A' ' 98' ' ' ARG . 1.7 m-20 -93.07 14.52 17.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.431 ' ND2' ' OE1' ' A' ' 105' ' ' GLN . 2.6 t30 -85.47 150.03 53.21 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -34.14 4.03 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.507 1.793 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.431 ' OE1' ' ND2' ' A' ' 103' ' ' ASN . 15.0 pt20 -71.35 -49.26 44.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.258 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.403 ' CD ' ' O ' ' A' ' 89' ' ' GLY . 7.0 mm100 -79.79 74.4 6.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.337 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -85.98 -16.66 37.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.227 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -69.37 -58.28 6.7 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.508 1.13 . . . . 0.0 111.049 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.438 ' HG ' ' CG2' ' A' ' 87' ' ' ILE . 0.5 OUTLIER -71.02 -18.53 62.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 0.739 . . . . 0.0 109.248 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 55.9 ttp180 -65.25 -56.32 13.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.304 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.418 ' HG3' ' N ' ' A' ' 112' ' ' GLU . 0.3 OUTLIER -69.01 -30.05 68.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.236 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.418 ' N ' ' HG3' ' A' ' 111' ' ' ARG . 27.6 tp10 -66.86 -42.61 85.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.261 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -64.11 -41.89 97.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -57.31 -40.52 78.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.289 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -76.63 -59.52 2.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 110.313 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.455 ' CD1' ' HB3' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -47.34 -33.69 6.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.568 1.167 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.498 ' CG ' HD13 ' A' ' 55' ' ' LEU . 84.6 t90 -66.54 -52.62 43.73 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.161 . . . . 0.0 108.023 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.473 ' CD2' ' CG2' ' A' ' 41' ' ' ILE . 87.0 mt -57.64 -26.11 61.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.112 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.93 -62.1 1.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.413 1.071 . . . . 0.0 109.254 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.461 ' CB ' HD23 ' A' ' 75' ' ' LEU . . . -59.42 -25.23 64.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.363 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.419 ' CZ ' ' CH2' ' A' ' 117' ' ' TRP . 0.2 OUTLIER -70.79 -38.49 73.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 0.0 110.97 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -94.66 0.15 54.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.113 . . . . 0.0 109.34 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -87.49 2.16 51.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.432 1.083 . . . . 0.0 109.302 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.468 ' CD1' HG11 ' A' ' 67' ' ' VAL . 20.7 mt -81.02 157.45 71.28 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 53.71 3.43 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.515 1.797 . . . . 0.0 111.032 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 97.68 56.36 1.1 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.519 1.137 . . . . 0.0 111.023 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.51 ' OG ' ' CE2' ' A' ' 37' ' ' PHE . 30.0 t -44.76 148.48 0.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 0.766 . . . . 0.0 110.002 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.433 ' CB ' ' O ' ' A' ' 127' ' ' SER . . . 79.0 111.18 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 21.7 ttmt -166.38 144.24 5.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.451 1.094 . . . . 0.0 109.256 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 165.68 115.24 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . 0.463 ' CB ' ' CE2' ' A' ' 133' ' ' TRP . 18.1 Cg_endo -75.02 149.87 37.22 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.451 1.764 . . . . 0.0 110.977 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.27 -29.39 57.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.978 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.472 ' HA ' ' CD1' ' A' ' 136' ' ' ILE . 15.7 p-90 -73.21 -11.61 60.58 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.7 -10.26 44.86 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.6 p -130.76 26.22 5.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.004 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.472 ' CD1' ' HA ' ' A' ' 133' ' ' TRP . 84.6 mt -114.52 116.19 51.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.217 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.415 ' HA ' ' CZ ' ' A' ' 147' ' ' PHE . 0.0 OUTLIER -143.1 160.86 39.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.275 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . 0.403 ' CD ' ' OD1' ' A' ' 178' ' ' ASN . 2.7 tt0 -90.65 114.08 26.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.581 1.176 . . . . 0.0 110.282 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -71.46 168.0 51.48 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -63.38 -35.69 81.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 0.795 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -112.21 40.52 2.18 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.565 1.166 . . . . 0.0 110.242 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.96 152.26 66.28 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.14 . . . . 0.0 110.277 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 119.92 5.87 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.504 1.792 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . 0.442 ' O ' ' CG2' ' A' ' 148' ' ' VAL . 63.8 t80 -74.72 -54.83 6.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.577 1.173 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -47.99 -49.31 31.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.592 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.5 -44.36 82.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . 0.473 ' CE2' HD12 ' A' ' 151' ' ' LEU . 36.5 t80 -57.21 -43.75 83.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.442 ' CG2' ' O ' ' A' ' 144' ' ' TYR . 14.8 t -60.49 -51.42 73.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.52 -54.25 43.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 37.2 ttt85 -59.0 -33.89 71.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.12 . . . . 0.0 110.368 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.473 HD12 ' CE2' ' A' ' 147' ' ' PHE . 0.9 OUTLIER -57.29 -47.75 80.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.257 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -58.35 -46.95 85.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 1.2 mp -60.85 -68.41 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.359 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -45.5 -28.93 1.01 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.341 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 0.453 HD22 ' CD1' ' A' ' 172' ' ' LEU . 4.2 mt -69.31 -60.01 2.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -52.78 -21.27 3.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.594 1.183 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.2 -22.92 61.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.578 1.174 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -141.52 38.39 1.52 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.1 114.97 23.96 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.553 0.796 . . . . 0.0 109.349 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 166.06 30.01 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.524 1.802 . . . . 0.0 111.032 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -77.85 -6.95 55.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.317 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -112.99 34.55 5.03 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.481 1.113 . . . . 0.0 110.961 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' THR . . . . . 0.411 ' HA ' ' HD3' ' A' ' 164' ' ' PRO . 1.3 m -145.92 141.59 16.85 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.47 0.747 . . . . 0.0 110.442 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 163' ' ' THR . 18.4 Cg_endo -74.96 131.83 14.79 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.397 1.735 . . . . 0.0 111.041 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.1 -37.54 3.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . 0.496 ' N ' ' CD ' ' A' ' 167' ' ' PRO . 0.4 OUTLIER -40.54 -52.26 6.24 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 166' ' ' ASP . 18.1 Cg_endo -75.07 -49.27 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.517 1.798 . . . . 0.0 111.018 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . 0.401 HG23 ' N ' ' A' ' 169' ' ' LEU . 0.0 OUTLIER -45.96 -47.56 5.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . 0.463 ' CD1' ' HB3' ' A' ' 151' ' ' LEU . 34.6 tp -59.98 -53.27 59.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.41 1.069 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 -54.45 -19.66 6.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 110.278 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.3 -56.5 3.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.135 . . . . 0.0 110.0 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.464 ' CB ' HD11 ' A' ' 151' ' ' LEU . 1.4 mt -64.13 -15.01 58.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.258 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -88.68 -30.6 19.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.223 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 174' ' ' TYR . . . . . 0.446 ' O ' ' N ' ' A' ' 176' ' ' ASN . 29.8 t80 -110.47 -78.39 0.59 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 110.984 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 175' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 174' ' ' TYR . 22.9 t -37.05 -32.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.03 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 174' ' ' TYR . 13.9 m-20 -110.74 57.74 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 174' ' ' TYR . . . -134.01 142.11 47.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . 0.61 ' ND2' ' H ' ' A' ' 181' ' ' CYS . 7.7 p-10 -52.28 -175.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.359 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 33.6 mtmt -78.44 -49.9 12.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.341 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -54.05 -36.34 62.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.31 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 181' ' ' CYS . . . . . 0.61 ' H ' ' ND2' ' A' ' 178' ' ' ASN . 19.1 t -69.94 -67.41 0.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 108.267 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -46.15 -43.35 14.98 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.553 1.158 . . . . 0.0 110.289 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 183' ' ' LYS . . . . . 0.504 ' O ' ' CB ' ' A' ' 187' ' ' ALA . 29.3 ttpt -62.44 -34.52 76.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . 0.552 HD12 ' CD1' ' A' ' 205' ' ' TRP . 3.1 tt -66.48 -46.83 74.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . 0.418 ' CD1' ' HE1' ' A' ' 198' ' ' MET . 9.8 mt -61.3 -65.6 0.67 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.487 1.117 . . . . 0.0 109.232 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.13 -40.48 32.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.4 1.063 . . . . 0.0 110.288 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 187' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 183' ' ' LYS . . . -58.75 -37.43 76.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.31 -3.67 34.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.319 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 60.58 39.84 97.04 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.557 1.161 . . . . 0.0 111.034 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . 0.621 ' CG ' ' O ' ' A' ' 190' ' ' HIS . 0.1 OUTLIER -150.04 102.58 3.12 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.549 0.793 . . . . 0.0 109.591 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 1.8 p -121.09 -54.86 2.0 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 110.439 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 192' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 193' ' ' SER . 5.1 t-20 -61.37 -22.3 64.82 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.475 1.11 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 193' ' ' SER . . . . . 0.495 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER -49.27 178.21 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.972 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . 0.495 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.2 Cg_endo -75.0 -167.73 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.441 1.759 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . 0.449 ' HG ' ' CD2' ' A' ' 199' ' ' LEU . 9.9 tp -85.04 -50.59 7.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.428 1.08 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -44.83 -34.96 4.16 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.452 1.095 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . 0.503 ' HB3' ' CE1' ' A' ' 190' ' ' HIS . 0.2 OUTLIER -69.16 -39.74 78.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.746 . . . . 0.0 109.325 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 198' ' ' MET . . . . . 0.448 ' N ' ' O ' ' A' ' 195' ' ' LEU . 72.5 mtp -66.23 -35.22 79.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 199' ' ' LEU . . . . . 0.449 ' CD2' ' HG ' ' A' ' 195' ' ' LEU . 4.0 mm? -74.11 -20.49 60.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.0 -17.26 33.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -90.85 -34.59 15.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.163 . . . . 0.0 109.209 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 202' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 203' ' ' GLN . 0.0 OUTLIER -87.81 -19.09 27.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 108.266 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 203' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 202' ' ' CYS . 9.9 pt20 -37.41 -39.47 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.277 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 5.9 t -107.66 -49.96 3.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.405 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 205' ' ' TRP . . . . . 0.552 ' CD1' HD12 ' A' ' 184' ' ' LEU . 5.5 t90 43.72 59.61 3.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 107.984 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 206' ' ' THR . . . . . 0.406 ' HA ' ' HD3' ' A' ' 207' ' ' PRO . 1.1 t -166.99 136.78 2.37 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.429 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 207' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 206' ' ' THR . 18.3 Cg_endo -74.99 162.09 37.73 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.586 1.835 . . . . 0.0 110.958 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 208' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.44 135.96 0.45 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . 19.1 t70 175.57 142.36 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.44 1.087 . . . . 0.0 109.322 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.0 169.38 15.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.236 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 9.3 t -153.3 131.15 11.66 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.585 1.178 . . . . 0.0 110.402 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 64.01 86.31 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.333 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 213' ' ' VAL . . . . . . . . . . . . . 5.3 m -90.01 -41.63 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 109.312 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 214' ' ' LEU . . . . . . . . . . . . . 11.7 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 179.983 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 7.2 p80 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 22.7 p-80 -175.33 150.08 1.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.632 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 178.57 147.42 0.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.627 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 179.82 142.27 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.585 1.178 . . . . 0.0 109.524 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -175.21 159.74 2.59 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.489 1.118 . . . . 0.0 109.571 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -176.2 143.93 0.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.044 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 54.4 p -177.17 162.25 1.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.023 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 163.75 144.72 4.13 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.541 1.151 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -175.88 117.99 0.15 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 0.776 . . . . 0.0 109.604 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.1 mp -143.46 149.54 18.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -62.86 173.98 1.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -101.33 148.27 17.95 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.534 1.146 . . . . 0.0 110.974 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.405 ' O ' ' CG ' ' A' ' 13' ' ' ARG . 1.0 OUTLIER 177.07 66.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 0.762 . . . . 0.0 110.294 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.404 ' CE1' HG22 ' A' ' 51' ' ' THR . 0.9 OUTLIER 40.33 49.16 2.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.569 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.472 ' CE ' ' CD2' ' A' ' 20' ' ' LEU . 1.6 ttt 46.91 98.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.988 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.8 pm0 -80.08 154.97 27.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 110.32 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.5 tpt -45.41 -34.21 2.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.5 ttpt -59.3 -43.1 92.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -55.97 -56.57 19.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.472 ' CD2' ' CE ' ' A' ' 15' ' ' MET . 37.4 mt -55.09 -41.93 72.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.262 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -58.0 -57.06 14.47 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.507 1.13 . . . . 0.0 110.287 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.67 -47.88 76.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.455 ' HA ' ' CG ' ' A' ' 26' ' ' GLU . 68.3 mt -52.14 -49.95 37.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.484 ' HG3' ' CE2' ' A' ' 61' ' ' TYR . 0.0 OUTLIER -50.21 -34.91 24.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -70.71 -72.12 0.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.162 . . . . 0.0 110.222 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.455 ' CG ' ' HA ' ' A' ' 23' ' ' ILE . 8.4 pt-20 -44.23 -26.84 0.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 30' ' ' ALA . 34.9 t -75.55 -49.71 26.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.3 m -44.55 -41.86 6.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 110.017 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -60.04 -37.31 79.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 110.315 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 27' ' ' VAL . . . -44.91 166.76 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.23 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -109.33 170.0 5.85 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 115.79 4.39 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.505 1.792 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.65 59.12 11.37 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.496 1.122 . . . . 0.0 110.979 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -139.56 158.95 67.34 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.497 0.763 . . . . 0.0 110.008 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 48.57 2.06 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.528 1.804 . . . . 0.0 110.94 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.7 tp60 -121.85 -52.49 2.0 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.409 ' N ' ' HB2' ' A' ' 30' ' ' ALA . 1.7 t80 -60.62 -60.63 3.49 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.77 -49.1 63.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -49.4 -46.39 47.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.274 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.454 ' CG2' ' OE1' ' A' ' 26' ' ' GLU . 3.6 m -57.72 -31.19 66.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.422 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.448 HG23 ' CD2' ' A' ' 118' ' ' LEU . 15.5 mm -64.66 -53.06 46.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -29.68 69.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.595 1.184 . . . . 0.0 110.331 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.54 -43.24 85.68 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.09 -29.82 64.49 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.2 t -71.72 -42.54 70.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -78.33 -9.29 59.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 110.29 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.443 ' CA ' ' OE1' ' A' ' 47' ' ' GLN . 0.1 OUTLIER -80.64 -70.35 0.53 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 110.364 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.433 ' O ' ' CB ' ' A' ' 49' ' ' ASP . 14.2 p90 -114.18 -30.61 6.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 111.043 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.433 ' CB ' ' O ' ' A' ' 48' ' ' PHE . 2.4 m-20 77.56 94.54 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 133.35 16.66 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.537 1.809 . . . . 0.0 111.064 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.404 HG22 ' CE1' ' A' ' 14' ' ' HIS . 2.1 p -66.47 -174.94 0.32 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.539 1.149 . . . . 0.0 110.483 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.5 ' HB3' ' CZ ' ' A' ' 113' ' ' TYR . . . -61.33 -41.64 97.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -63.08 -62.64 1.57 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -46.85 -40.49 14.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.233 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.541 ' CD1' ' CG ' ' A' ' 117' ' ' TRP . 12.2 mt -61.43 -41.76 97.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.365 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.05 -54.57 33.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.264 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -64.73 -47.02 79.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.336 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.546 HD23 ' CH2' ' A' ' 117' ' ' TRP . 17.8 tp -51.86 -31.68 28.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.463 HD11 ' CB ' ' A' ' 63' ' ' CYS . 33.4 tp -67.03 -58.12 5.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.65 -10.34 26.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.598 1.186 . . . . 0.0 110.372 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.484 ' CE2' ' HG3' ' A' ' 24' ' ' LYS . 1.4 t80 -78.13 -55.22 5.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.085 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 19.7 mt -106.36 -62.2 1.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.532 ' SG ' ' CZ ' ' A' ' 121' ' ' PHE . 1.4 m -46.26 112.12 0.45 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.429 1.081 . . . . 0.0 108.295 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.52 -179.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.048 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.1 t -59.57 -63.62 1.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.029 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.0 tp -56.78 -55.19 37.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.479 HG13 ' CB ' ' A' ' 63' ' ' CYS . 2.3 t -46.4 -46.16 6.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.46 -46.7 70.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.4 t -60.23 -60.79 3.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 110.025 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.451 ' O ' ' NE2' ' A' ' 74' ' ' GLN . 2.6 mt -46.82 -44.98 19.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.163 . . . . 0.0 109.343 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.567 ' CE1' ' HB3' ' A' ' 120' ' ' ALA . 5.8 t-80 -62.25 -48.53 79.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.577 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.87 -40.13 75.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.651 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.22 -62.11 2.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 110.34 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 70' ' ' LEU . 1.6 mp0 -55.25 -19.06 7.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.494 ' CD1' ' CD1' ' A' ' 79' ' ' ILE . 0.3 OUTLIER -77.09 -57.15 4.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -48.4 -45.9 36.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.7 t -67.13 -34.54 77.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.007 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.508 ' CD2' ' O ' ' A' ' 116' ' ' LEU . 1.2 tp -58.09 -60.62 3.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.171 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.494 ' CD1' ' CD1' ' A' ' 75' ' ' LEU . 2.8 mp -48.05 -47.98 12.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.451 ' O ' ' CB ' ' A' ' 84' ' ' THR . 29.5 t -50.01 -30.54 10.84 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.549 1.156 . . . . 0.0 109.987 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -71.91 -48.71 43.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.438 ' CB ' HD13 ' A' ' 87' ' ' ILE . . . -57.78 -60.52 3.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.401 ' CG ' ' HA ' ' A' ' 80' ' ' SER . 0.0 OUTLIER -53.58 -43.0 68.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 110.301 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.451 ' CB ' ' O ' ' A' ' 80' ' ' SER . 2.1 m -57.76 -46.45 84.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.446 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.03 -0.97 20.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.36 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 62.38 75.58 0.31 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.426 1.078 . . . . 0.0 110.981 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.452 ' HB ' ' CB ' ' A' ' 90' ' ' TYR . 19.0 mt -40.95 155.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.531 0.783 . . . . 0.0 109.324 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 87' ' ' ILE . 0.0 OUTLIER -37.71 -70.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.4 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.408 ' H ' ' CG2' ' A' ' 88' ' ' THR . . . -140.52 60.97 0.56 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.467 1.104 . . . . 0.0 111.041 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.452 ' CB ' ' HB ' ' A' ' 87' ' ' ILE . 2.3 t80 -79.27 137.69 37.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 0.78 . . . . 0.0 111.01 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -86.47 125.1 68.58 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 0.0 109.24 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -29.55 8.08 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.447 1.762 . . . . 0.0 111.016 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.492 ' C ' ' CD1' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -63.84 -17.02 62.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.454 ' N ' ' CD1' ' A' ' 93' ' ' LEU . . . -97.94 52.39 1.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.255 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 94' ' ' ALA . . . -33.39 -54.62 0.59 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.55 1.156 . . . . 0.0 111.037 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.443 ' CD ' ' N ' ' A' ' 95' ' ' GLY . 18.2 Cg_endo -75.07 96.67 1.03 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.534 1.807 . . . . 0.0 110.984 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.477 HD23 ' CD2' ' A' ' 113' ' ' TYR . 6.4 tp -50.89 -36.98 40.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.445 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 10.9 ptt85 -58.61 -33.72 70.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.6 t -79.61 -32.51 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.425 ' NE2' ' HB2' ' A' ' 94' ' ' ALA . 0.0 OUTLIER -71.73 -54.78 9.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 110.287 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.554 ' HB1' ' CD2' ' A' ' 113' ' ' TYR . . . -49.17 -43.31 41.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 98' ' ' ARG . 90.5 m-20 -51.27 -25.57 5.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -79.68 131.7 63.57 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -23.74 13.48 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.461 1.769 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -59.61 -28.5 67.24 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.55 1.156 . . . . 0.0 110.339 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 17.9 mm100 -96.29 50.99 1.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.71 -45.9 49.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.28 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -56.23 -55.74 27.85 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.61 -41.95 98.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 0.788 . . . . 0.0 109.329 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 11.8 ttt-85 -50.1 -36.69 30.56 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.11 . . . . 0.0 110.299 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.44 -53.68 10.1 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.518 1.136 . . . . 0.0 110.311 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -53.07 -36.32 60.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.168 . . . . 0.0 110.271 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.554 ' CD2' ' HB1' ' A' ' 101' ' ' ALA . 4.5 t80 -65.8 -46.09 79.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.988 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -53.41 -49.47 67.21 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.46 1.1 . . . . 0.0 110.3 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.07 -30.95 67.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.34 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.508 ' O ' ' CD2' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -65.2 -39.84 93.38 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.443 1.089 . . . . 0.0 109.307 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.546 ' CH2' HD23 ' A' ' 58' ' ' LEU . 47.7 t90 -63.5 -63.52 1.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 108.004 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.448 ' CD2' HG23 ' A' ' 41' ' ' ILE . 80.4 mt -50.93 -27.23 7.13 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.45 -62.63 1.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.41 1.068 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.567 ' HB3' ' CE1' ' A' ' 71' ' ' HIS . . . -57.74 -26.36 61.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.532 ' CZ ' ' SG ' ' A' ' 63' ' ' CYS . 0.8 OUTLIER -71.88 -51.02 24.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -74.89 -2.59 27.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.344 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -83.93 -3.0 57.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 64.1 mt -73.06 157.73 88.08 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.584 1.177 . . . . 0.0 109.328 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 141.26 26.48 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.508 1.794 . . . . 0.0 111.039 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 53.66 20.15 11.54 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.495 1.122 . . . . 0.0 110.963 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.05 98.51 8.33 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.555 0.797 . . . . 0.0 109.936 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 62.37 107.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.49 -65.22 0.98 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.565 1.166 . . . . 0.0 109.258 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.438 ' CB ' ' CD ' ' A' ' 131' ' ' PRO . 0.3 OUTLIER -151.78 174.48 3.57 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . 0.438 ' CD ' ' CB ' ' A' ' 130' ' ' ASP . 18.3 Cg_endo -75.08 162.17 37.36 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.435 1.755 . . . . 0.0 110.997 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.3 -34.2 65.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.983 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.486 ' HA ' ' CD1' ' A' ' 136' ' ' ILE . 21.9 p-90 -72.41 -13.66 61.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 108.062 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.17 -12.89 31.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.443 1.089 . . . . 0.0 109.279 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 29.2 t -134.82 36.87 3.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.98 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.486 ' CD1' ' HA ' ' A' ' 133' ' ' TRP . 54.5 mt -117.02 118.03 57.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.352 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.578 ' O ' ' CE1' ' A' ' 147' ' ' PHE . 0.2 OUTLIER -136.97 151.36 48.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.573 1.17 . . . . 0.0 109.277 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . 0.56 ' HG3' ' CD2' ' A' ' 144' ' ' TYR . 0.0 OUTLIER -65.76 117.45 8.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.174 . . . . 0.0 110.295 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . 0.428 ' O ' ' NE2' ' A' ' 138' ' ' GLN . . . -71.21 149.8 46.29 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.538 1.149 . . . . 0.0 111.042 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.49 ' N ' ' ND2' ' A' ' 178' ' ' ASN . 1.7 tm? -61.53 -40.6 95.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.551 0.794 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -111.2 39.78 2.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -125.5 159.52 60.05 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 110.268 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 105.12 2.02 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.483 1.781 . . . . 0.0 111.045 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . 0.56 ' CD2' ' HG3' ' A' ' 138' ' ' GLN . 5.0 t80 -55.74 -58.67 6.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . 0.498 ' CD2' ' C ' ' A' ' 145' ' ' HIS . 0.2 OUTLIER -49.05 -51.44 31.21 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.498 1.124 . . . . 0.0 109.681 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -58.09 -39.78 79.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . 0.578 ' CE1' ' O ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -62.75 -43.61 98.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.613 1.195 . . . . 0.0 110.947 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 46.3 t -60.29 -51.06 77.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -53.2 -54.39 36.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 110.258 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 7.8 ttt-85 -59.34 -41.13 88.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 110.34 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.491 ' O ' ' CD1' ' A' ' 155' ' ' LEU . 1.0 OUTLIER -50.89 -38.23 48.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -67.69 -45.82 74.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . 0.429 ' C ' ' N ' ' A' ' 155' ' ' LEU . 1.5 mp -62.83 -69.63 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.334 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -41.94 -28.97 0.19 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.52 1.138 . . . . 0.0 109.341 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 0.491 ' CD1' ' O ' ' A' ' 151' ' ' LEU . 6.9 mt -73.68 -59.23 2.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -46.11 -24.79 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . 0.417 ' N ' ' C ' ' A' ' 155' ' ' LEU . 3.1 m-80 -78.12 -42.77 30.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 155' ' ' LEU . . . -125.85 50.33 0.88 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.512 1.132 . . . . 0.0 111.013 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 155' ' ' LEU . 0.2 OUTLIER -156.52 101.94 2.02 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.452 0.736 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 157.88 42.6 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.417 1.746 . . . . 0.0 110.956 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 163' ' ' THR . 0.0 OUTLIER -60.5 -53.94 51.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.34 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 161' ' ' GLU . . . -37.64 -30.41 0.06 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.433 1.083 . . . . 0.0 110.916 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 161' ' ' GLU . 2.0 m -96.31 145.27 29.27 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.77 . . . . 0.0 110.41 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 163' ' ' THR . 18.1 Cg_endo -75.03 130.95 13.71 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.522 1.801 . . . . 0.0 110.928 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 1.2 tmpt? -111.03 -29.91 7.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . 0.513 ' N ' ' CD ' ' A' ' 167' ' ' PRO . 0.3 OUTLIER -47.26 -52.09 37.76 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 166' ' ' ASP . 18.4 Cg_endo -74.99 -48.02 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.491 1.785 . . . . 0.0 110.987 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . 0.467 ' CG2' HD22 ' A' ' 155' ' ' LEU . 0.3 OUTLIER -51.12 -41.84 24.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . 0.483 ' CD1' ' HB3' ' A' ' 151' ' ' LEU . 13.6 tp -64.3 -55.3 22.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 109.348 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 77.6 mtm-85 -59.1 -15.35 13.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.591 1.182 . . . . 0.0 110.252 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.63 -48.66 8.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 110.01 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.448 ' CD1' HD22 ' A' ' 151' ' ' LEU . 5.0 mt -68.72 -16.51 63.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -86.08 -50.21 7.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 174' ' ' TYR . . . . . 0.413 ' O ' ' N ' ' A' ' 177' ' ' ALA . 6.1 t80 -96.02 -69.54 0.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 1.2 t -38.91 -38.04 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.421 1.076 . . . . 0.0 110.096 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -110.4 54.83 0.66 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.505 1.128 . . . . 0.0 109.25 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 174' ' ' TYR . . . -120.3 148.32 43.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.218 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . 0.49 ' ND2' ' N ' ' A' ' 140' ' ' LEU . 0.9 OUTLIER -54.31 -171.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -75.62 -57.27 3.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -62.2 -14.98 43.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.269 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 181' ' ' CYS . . . . . . . . . . . . . 64.0 m -78.92 -61.1 2.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 108.342 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . 0.418 ' O ' ' NE2' ' A' ' 186' ' ' GLN . 54.6 mt-30 -54.19 -37.21 64.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.295 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -31.16 70.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . 0.531 HD12 ' CD1' ' A' ' 205' ' ' TRP . 2.0 tt -67.41 -52.43 39.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . 0.536 ' CD2' ' NE2' ' A' ' 190' ' ' HIS . 12.7 mt -59.43 -50.78 72.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . 0.418 ' NE2' ' O ' ' A' ' 182' ' ' GLN . 0.4 OUTLIER -56.71 -53.07 61.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.319 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -51.88 -39.82 59.62 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.452 1.095 . . . . 0.0 109.225 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.55 -14.09 60.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 68.91 16.59 70.59 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.523 1.139 . . . . 0.0 111.032 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . 0.573 ' CG ' ' O ' ' A' ' 190' ' ' HIS . 0.1 OUTLIER -126.53 106.41 9.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 0.758 . . . . 0.0 109.564 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 1.4 p -121.35 -51.26 2.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.351 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -88.36 49.16 1.74 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.265 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 193' ' ' SER . . . . . 0.516 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER -117.78 179.02 0.89 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.581 1.175 . . . . 0.0 109.981 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . 0.516 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.3 Cg_endo -74.99 164.62 33.02 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.522 1.801 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . 0.474 ' HG ' ' CD2' ' A' ' 199' ' ' LEU . 7.3 tp -60.43 -42.69 96.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.226 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -45.03 -44.23 8.99 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.522 1.139 . . . . 0.0 111.063 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . 0.536 ' HB3' ' CE1' ' A' ' 190' ' ' HIS . 0.1 OUTLIER -71.8 -31.2 66.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 0.0 109.317 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 198' ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' ' 195' ' ' LEU . 36.4 mmm -68.42 -35.9 78.31 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 110.972 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 199' ' ' LEU . . . . . 0.474 ' CD2' ' HG ' ' A' ' 195' ' ' LEU . 3.8 mm? -78.37 -19.11 54.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.32 -20.12 32.58 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.453 1.096 . . . . 0.0 110.257 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -85.63 -45.52 11.64 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.567 1.167 . . . . 0.0 109.282 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 202' ' ' CYS . . . . . . . . . . . . . 16.9 p -75.85 -18.98 59.24 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.524 1.14 . . . . 0.0 108.316 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 203' ' ' GLN . . . . . 0.433 ' CG ' ' N ' ' A' ' 204' ' ' THR . 14.4 pt20 -39.42 -42.79 1.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.31 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 204' ' ' THR . . . . . 0.433 ' N ' ' CG ' ' A' ' 203' ' ' GLN . 3.2 t -107.55 -47.48 3.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.417 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 205' ' ' TRP . . . . . 0.573 ' CD1' ' O ' ' A' ' 205' ' ' TRP . 4.8 t90 41.13 59.49 2.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 107.99 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 206' ' ' THR . . . . . 0.496 ' O ' ' CG2' ' A' ' 206' ' ' THR . 15.1 t -117.33 93.37 42.68 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.095 . . . . 0.0 110.44 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 73.94 4.13 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.473 1.775 . . . . 0.0 110.988 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 208' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.07 -178.84 3.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . 37.0 p-10 -138.38 135.23 35.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -120.81 178.23 4.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 15.3 t -99.02 -20.49 16.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.145 . . . . 0.0 110.4 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 4.5 mmtm 43.21 90.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.406 1.066 . . . . 0.0 109.284 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 213' ' ' VAL . . . . . . . . . . . . . 35.5 m -49.08 175.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.355 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 214' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 -179.975 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -123.14 149.2 44.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.622 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 36.2 m-70 -88.2 -63.13 1.35 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.596 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 66.08 105.47 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.566 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 53.8 m80 -92.45 134.48 34.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 109.63 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -172.16 94.34 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 110.024 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -153.18 159.79 42.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 109.926 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -169.04 166.2 39.52 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.448 1.093 . . . . 0.0 110.953 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -161.94 84.63 0.6 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 0.737 . . . . 0.0 109.559 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.5 mp -83.67 -64.02 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -136.14 132.74 36.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.275 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -122.16 168.99 14.77 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.417 1.073 . . . . 0.0 111.018 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.505 ' O ' ' CD2' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -130.3 137.21 49.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 110.273 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.505 ' CD2' ' O ' ' A' ' 13' ' ' ARG . 3.4 p-80 40.07 49.26 2.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.599 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.562 ' HG3' ' CE1' ' A' ' 48' ' ' PHE . 0.0 OUTLIER 175.21 77.35 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.603 1.19 . . . . 0.0 111.034 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.6 pm0 -79.92 155.24 27.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.257 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.76 -27.38 1.98 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 111.004 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -40.28 94.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -56.26 -55.87 27.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.148 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.575 ' HB3' ' CE2' ' A' ' 61' ' ' TYR . 4.3 mt -57.37 -39.37 75.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.399 1.062 . . . . 0.0 109.288 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.62 -48.39 79.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.332 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.62 -43.0 99.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.566 1.166 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.438 ' O ' ' CG2' ' A' ' 27' ' ' VAL . 18.3 mt -57.41 -40.62 75.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.267 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -32.22 71.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.571 1.17 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.7 tm0? -71.22 -59.46 2.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 110.31 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.433 ' CG ' ' HA ' ' A' ' 23' ' ' ILE . 4.1 pt-20 -60.6 -14.6 21.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 110.255 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.438 ' CG2' ' O ' ' A' ' 23' ' ' ILE . 20.0 t -91.4 -26.99 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.247 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.5 t -70.8 -29.32 65.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.09 . . . . 0.0 109.969 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.33 -22.76 51.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 110.333 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.471 ' CB ' ' HB3' ' A' ' 36' ' ' GLN . . . -61.73 167.48 3.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -113.13 161.89 24.66 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.259 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 112.07 3.47 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.467 1.772 . . . . 0.0 111.045 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.7 40.31 15.33 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.8 p -129.53 152.52 79.8 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.771 . . . . 0.0 109.982 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 51.31 2.72 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.49 1.784 . . . . 0.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.471 ' HB3' ' CB ' ' A' ' 30' ' ' ALA . 3.6 tp60 -121.16 -58.06 1.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 110.286 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.464 ' CD1' ' N ' ' A' ' 38' ' ' MET . 1.4 t80 -57.0 -54.34 47.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.414 1.071 . . . . 0.0 110.953 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.464 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 10.4 tpt -57.72 -54.15 50.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -46.86 -41.07 15.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.289 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.64 -37.21 80.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 110.395 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.477 ' CG2' ' CD2' ' A' ' 118' ' ' LEU . 7.2 mm -60.83 -44.17 97.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -64.75 -31.78 73.16 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.46 1.1 . . . . 0.0 110.285 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.85 -41.11 97.88 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.486 1.116 . . . . 0.0 109.248 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.1 -42.83 65.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.342 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.41 HG11 ' NE2' ' A' ' 114' ' ' GLN . 0.9 OUTLIER -67.23 -18.35 23.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -102.61 -5.61 23.68 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 0.0 110.34 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -86.24 -70.43 0.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.562 ' CE1' ' HG3' ' A' ' 15' ' ' MET . 0.3 OUTLIER -121.95 -4.78 9.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.998 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.7 t0 56.68 96.49 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.117 . . . . 0.0 109.24 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.405 ' CD ' ' HA ' ' A' ' 45' ' ' VAL . 18.3 Cg_endo -74.98 128.78 11.77 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.459 1.768 . . . . 0.0 110.93 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.9 p -56.96 -171.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.457 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.37 -51.97 25.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.585 1.178 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.454 ' CD ' ' OD1' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -50.48 -45.88 56.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.454 ' OD1' ' CD ' ' A' ' 53' ' ' LYS . 2.1 m-20 -58.21 -51.04 71.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.436 ' CD1' ' CG ' ' A' ' 117' ' ' TRP . 22.1 mt -53.14 -45.96 68.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -48.82 -48.19 41.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.238 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.4 ' C ' ' N ' ' A' ' 59' ' ' LEU . 5.1 t70 -70.62 -51.29 29.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 22.1 tp -50.19 -23.0 1.93 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.437 1.086 . . . . 0.0 109.275 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.4 ' N ' ' C ' ' A' ' 57' ' ' ASP . 53.9 tp -78.1 -51.71 9.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.613 1.195 . . . . 0.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -89.77 23.47 2.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.366 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.575 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 48.3 t80 -120.68 -41.53 2.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 110.969 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.5 mt -91.75 -51.78 5.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.328 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 95.8 m -93.01 -173.37 3.26 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.422 1.076 . . . . 0.0 108.334 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.85 179.27 4.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.973 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.3 t -60.37 -52.4 65.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 110.048 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 17.8 tp -44.55 -64.8 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.6 t -50.5 -45.07 25.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.239 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.43 -38.77 59.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.369 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.2 m -75.7 -45.26 37.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 110.05 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.413 ' O ' ' CB ' ' A' ' 73' ' ' GLN . 14.5 mt -53.67 -57.61 10.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.416 1.073 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.415 ' HA ' ' NE2' ' A' ' 74' ' ' GLN . 0.4 OUTLIER -52.15 -45.92 65.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.591 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -58.38 -17.17 18.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.577 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.413 ' CB ' ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -77.3 -67.22 0.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.467 ' OE1' ' CB ' ' A' ' 123' ' ' ALA . 0.3 OUTLIER -61.89 -27.86 69.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.423 1.077 . . . . 0.0 110.304 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.474 HD22 ' CD2' ' A' ' 116' ' ' LEU . 1.7 tm? -73.92 -53.14 10.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.387 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -45.32 -46.96 13.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.354 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.7 t -60.64 -43.0 98.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.989 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.467 HD21 ' CB ' ' A' ' 116' ' ' LEU . 13.3 tp -58.55 -39.71 81.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.455 HG21 ' CD2' ' A' ' 97' ' ' LEU . 50.6 mm -55.16 -55.26 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.75 -27.45 12.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.585 1.178 . . . . 0.0 109.995 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -66.79 -42.03 86.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.3 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.423 ' CB ' HD13 ' A' ' 87' ' ' ILE . . . -63.73 -55.73 21.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -58.8 -41.63 87.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.344 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.8 m -62.19 -45.63 92.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 110.391 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.5 -1.84 23.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.1 . . . . 0.0 110.316 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 64.6 84.37 0.08 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.483 1.114 . . . . 0.0 110.978 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.487 ' HB ' ' CB ' ' A' ' 90' ' ' TYR . 12.5 mt -51.28 166.34 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.533 0.784 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.483 ' N ' ' CG2' ' A' ' 87' ' ' ILE . 10.2 t -86.08 -49.46 7.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 0.0 110.388 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -119.82 66.48 0.41 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.564 1.165 . . . . 0.0 110.964 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.552 ' CD1' ' OE1' ' A' ' 100' ' ' GLN . 83.6 t80 -128.8 141.2 51.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.423 0.719 . . . . 0.0 110.951 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.414 ' O ' ' NE2' ' A' ' 100' ' ' GLN . 0.5 OUTLIER -112.95 99.3 48.14 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -24.18 13.11 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.517 1.798 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.505 ' CD2' ' C ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -58.63 -34.8 71.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.158 . . . . 0.0 109.286 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.465 ' N ' ' CD1' ' A' ' 93' ' ' LEU . . . -65.95 -63.53 1.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.262 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.538 ' N ' ' CD ' ' A' ' 96' ' ' PRO . . . 124.64 -49.01 0.93 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.538 ' CD ' ' N ' ' A' ' 95' ' ' GLY . 18.2 Cg_endo -74.99 163.25 35.72 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.513 1.796 . . . . 0.0 111.034 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.455 ' CD2' HG21 ' A' ' 79' ' ' ILE . 18.4 tp -120.01 -47.09 2.4 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.41 -32.78 68.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.328 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 82.1 t -60.36 -39.78 81.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.441 1.088 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.552 ' OE1' ' CD1' ' A' ' 90' ' ' TYR . 41.6 mt-30 -72.59 -36.41 68.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.52 -16.91 58.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -71.1 -25.64 62.69 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -103.61 134.42 19.75 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.4 ' C ' ' N ' ' A' ' 106' ' ' GLN . 18.2 Cg_endo -75.1 -14.94 20.78 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.579 1.831 . . . . 0.0 110.968 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -41.66 -30.08 0.21 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.464 1.103 . . . . 0.0 110.234 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.4 ' N ' ' C ' ' A' ' 104' ' ' PRO . 1.8 pt20 -123.25 66.33 0.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.334 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.43 -20.55 2.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.249 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -58.52 -50.05 70.8 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.522 1.139 . . . . 0.0 111.022 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.418 HD23 ' CG ' ' A' ' 112' ' ' GLU . 1.3 mt -77.16 -41.4 41.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 0.739 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.7 ttm-85 -46.33 -43.24 15.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.584 1.178 . . . . 0.0 110.368 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 114' ' ' GLN . 0.0 OUTLIER -76.14 -63.08 1.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.357 179.899 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.418 ' CG ' HD23 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -42.5 -26.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.084 . . . . 0.0 110.296 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.415 ' N ' ' C ' ' A' ' 111' ' ' ARG . 22.5 t80 -79.2 -43.27 24.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.505 ' HG3' ' N ' ' A' ' 115' ' ' GLN . 0.0 OUTLIER -56.29 -26.93 53.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.244 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.505 ' N ' ' HG3' ' A' ' 114' ' ' GLN . 0.2 OUTLIER -88.11 -43.75 11.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.41 1.069 . . . . 0.0 110.267 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.474 ' CD2' HD22 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -60.43 -35.05 74.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.612 ' CH2' ' CE1' ' A' ' 121' ' ' PHE . 81.1 t90 -71.67 -55.78 7.06 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.477 ' CD2' ' CG2' ' A' ' 41' ' ' ILE . 85.0 mt -54.31 -22.19 11.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -70.31 -52.0 26.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.411 ' HB2' ' CE1' ' A' ' 71' ' ' HIS . . . -63.9 -33.96 76.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.251 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.612 ' CE1' ' CH2' ' A' ' 117' ' ' TRP . 0.8 OUTLIER -65.97 -31.84 72.98 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.534 1.146 . . . . 0.0 110.954 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -96.53 0.26 49.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.467 ' CB ' ' OE1' ' A' ' 74' ' ' GLN . . . -91.01 0.61 57.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 109.353 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 56.5 mt -75.06 155.39 86.44 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.236 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 55.51 3.96 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.43 1.752 . . . . 0.0 111.061 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 133.62 -44.6 1.18 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.557 1.161 . . . . 0.0 111.008 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 5.3 p 52.13 100.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.582 0.813 . . . . 0.0 110.011 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 171.59 -179.42 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -150.42 167.2 27.81 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -160.43 151.85 16.19 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 163.23 35.78 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.491 1.785 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 20.0 m -73.1 -36.8 66.84 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.452 1.095 . . . . 0.0 110.011 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.569 ' CD1' HD22 ' A' ' 155' ' ' LEU . 15.8 p-90 -70.32 -17.42 63.07 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.09 -11.0 34.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 97.2 p -123.06 21.4 9.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.055 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.421 ' CD1' ' HA ' ' A' ' 133' ' ' TRP . 28.0 mt -115.0 117.87 57.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.473 ' CB ' ' HB3' ' A' ' 176' ' ' ASN . 0.2 OUTLIER -137.59 162.08 34.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . 0.465 ' NE2' ' O ' ' A' ' 139' ' ' GLY . 0.2 OUTLIER -85.46 119.21 25.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.375 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . 0.465 ' O ' ' NE2' ' A' ' 138' ' ' GLN . . . -76.02 143.16 29.49 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -50.42 -39.67 48.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 0.761 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -111.7 40.41 2.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.427 1.08 . . . . 0.0 110.31 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.89 170.46 7.24 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.288 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 127.74 10.96 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.476 1.777 . . . . 0.0 110.991 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . 0.59 ' CE2' ' SG ' ' A' ' 181' ' ' CYS . 2.4 t80 -76.48 -57.47 3.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 111.026 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . 0.439 ' CD2' ' C ' ' A' ' 145' ' ' HIS . 0.5 OUTLIER -59.13 -57.85 11.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.632 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -47.86 -46.64 31.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . 0.565 ' CZ ' HD12 ' A' ' 151' ' ' LEU . 3.2 t80 -56.48 -43.14 79.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 111.079 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 48.7 t -63.34 -58.17 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -46.79 -43.95 18.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 153' ' ' ILE . 95.5 mtt180 -67.64 -58.59 4.4 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.537 1.148 . . . . 0.0 110.326 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.565 HD12 ' CZ ' ' A' ' 147' ' ' PHE . 0.4 OUTLIER -40.65 -34.68 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . 0.476 ' ND2' ' HZ2' ' A' ' 165' ' ' LYS . 15.8 t-20 -71.29 -51.71 22.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . 0.427 ' N ' ' O ' ' A' ' 150' ' ' ARG . 11.5 mt -59.2 -64.49 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.499 1.125 . . . . 0.0 109.327 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -45.69 -29.18 1.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 0.569 HD22 ' CD1' ' A' ' 133' ' ' TRP . 3.5 mt -72.53 -59.7 2.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -51.39 -21.43 2.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -74.05 -28.33 61.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.103 . . . . 0.0 109.34 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 155' ' ' LEU . . . -132.06 39.98 1.68 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.571 1.169 . . . . 0.0 110.991 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.427 ' CD2' HD21 ' A' ' 155' ' ' LEU . 0.7 OUTLIER -131.76 119.26 17.01 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.467 0.745 . . . . 0.0 109.272 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -168.86 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.526 1.803 . . . . 0.0 111.046 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -102.0 -7.98 21.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.296 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -109.15 32.42 6.88 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.408 1.068 . . . . 0.0 111.004 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 1.7 m -146.08 143.53 19.58 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.51 0.771 . . . . 0.0 110.445 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 135.28 18.87 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.465 1.771 . . . . 0.0 111.006 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . 0.476 ' HZ2' ' ND2' ' A' ' 152' ' ' ASN . 0.0 OUTLIER -119.78 -40.2 2.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.348 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . 0.528 ' CB ' ' HD3' ' A' ' 167' ' ' PRO . 0.2 OUTLIER -39.5 -53.92 4.03 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' PRO . . . . . 0.528 ' HD3' ' CB ' ' A' ' 166' ' ' ASP . 18.4 Cg_endo -75.02 -49.55 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.43 1.753 . . . . 0.0 111.036 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . 0.411 HG21 ' N ' ' A' ' 169' ' ' LEU . 0.0 OUTLIER -46.05 -38.36 3.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.267 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 172' ' ' LEU . 14.0 tp -64.65 -63.84 1.02 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . 0.449 ' NH2' ' O ' ' A' ' 192' ' ' ASN . 27.2 mtp180 -49.42 -34.08 15.62 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.69 -28.47 64.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.024 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.47 ' HB3' ' CD1' ' A' ' 151' ' ' LEU . 18.2 mt -81.64 -50.62 9.11 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.476 1.11 . . . . 0.0 109.351 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -63.41 -14.93 55.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 174' ' ' TYR . . . . . 0.422 ' CB ' ' O ' ' A' ' 170' ' ' ARG . 71.6 t80 -100.4 -69.36 0.77 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 65.7 m -51.05 -40.82 59.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.044 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . 0.473 ' HB3' ' CB ' ' A' ' 137' ' ' LEU . 0.6 OUTLIER -99.3 55.72 1.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.082 . . . . 0.0 109.306 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -129.43 122.81 30.14 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . 0.431 ' OD1' ' N ' ' A' ' 180' ' ' GLU . 4.2 p30 -46.58 171.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 181' ' ' CYS . 0.0 OUTLIER -51.62 -77.33 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.48 1.112 . . . . 0.0 109.243 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . 0.431 ' N ' ' OD1' ' A' ' 178' ' ' ASN . 0.1 OUTLIER -36.96 -32.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.078 . . . . 0.0 110.264 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 181' ' ' CYS . . . . . 0.59 ' SG ' ' CE2' ' A' ' 144' ' ' TYR . 0.5 OUTLIER -64.03 -68.03 0.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 108.333 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . 0.449 ' O ' ' NE2' ' A' ' 186' ' ' GLN . 18.1 mt-30 -53.72 -33.23 54.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.452 1.095 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 183' ' ' LYS . . . . . 0.464 ' O ' ' CB ' ' A' ' 187' ' ' ALA . 4.1 ttpp -71.68 -19.9 62.01 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.445 1.091 . . . . 0.0 109.326 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . 0.579 HD11 ' CD1' ' A' ' 205' ' ' TRP . 5.2 tt -80.46 -60.29 2.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . 0.541 ' CD2' ' CE1' ' A' ' 190' ' ' HIS . 9.1 mt -52.17 -55.41 21.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.16 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 182' ' ' GLN . 1.0 OUTLIER -54.74 -55.04 34.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 187' ' ' ALA . . . . . 0.464 ' CB ' ' O ' ' A' ' 183' ' ' LYS . . . -49.28 -36.62 21.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.426 1.079 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.24 -39.03 65.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.596 1.185 . . . . 0.0 110.33 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 77.72 63.21 2.24 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.485 1.115 . . . . 0.0 111.031 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . 0.541 ' CE1' ' CD2' ' A' ' 185' ' ' LEU . 7.5 p80 -155.46 32.85 0.37 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.754 . . . . 0.0 109.533 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 2.0 p -58.6 -51.52 69.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.35 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 192' ' ' ASN . . . . . 0.449 ' O ' ' NH2' ' A' ' 170' ' ' ARG . 7.7 t-20 -62.36 -34.23 76.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 193' ' ' SER . . . . . 0.449 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.3 OUTLIER -48.51 175.08 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.039 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . 0.449 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.2 Cg_endo -74.99 -168.71 0.54 Allowed 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.534 1.808 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 198' ' ' MET . 4.2 tp -83.83 -36.11 23.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -47.87 -43.87 23.91 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.489 1.118 . . . . 0.0 110.926 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . 0.422 ' HB3' ' ND1' ' A' ' 190' ' ' HIS . 0.5 OUTLIER -63.31 -28.04 69.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 0.769 . . . . 0.0 109.301 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 198' ' ' MET . . . . . 0.43 ' N ' ' O ' ' A' ' 195' ' ' LEU . 41.8 ttm -64.39 -49.57 71.07 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.461 1.101 . . . . 0.0 111.056 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 199' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -63.39 -23.55 67.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.169 . . . . 0.0 109.332 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.16 -14.46 46.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ALA . . . . . 0.415 ' HB3' ' CD2' ' A' ' 184' ' ' LEU . . . -94.78 -34.76 12.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 202' ' ' CYS . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 144' ' ' TYR . 12.5 p -83.73 -25.37 30.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 108.313 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 203' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 202' ' ' CYS . 8.4 pt20 -35.02 -35.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 204' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 202' ' ' CYS . 6.2 t -112.88 -55.09 2.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.351 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 205' ' ' TRP . . . . . 0.609 ' CD1' ' O ' ' A' ' 205' ' ' TRP . 6.1 t90 53.93 49.74 18.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 107.995 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 206' ' ' THR . . . . . 0.51 ' CG2' ' O ' ' A' ' 205' ' ' TRP . 11.6 p -158.53 161.64 28.11 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.346 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 117.38 4.9 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.415 1.744 . . . . 0.0 111.019 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 208' ' ' LYS . . . . . . . . . . . . . 14.1 mttm -147.6 118.71 7.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -92.14 -53.6 4.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 109.331 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.79 162.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 13.7 m 61.13 140.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 0.0 110.401 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.45 148.39 42.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 213' ' ' VAL . . . . . . . . . . . . . 64.0 t -97.74 145.04 10.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 214' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.567 1.167 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 34.9 m80 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.605 -0.516 . . . . 0.0 109.605 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -66.43 130.99 45.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.577 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.421 ' CD2' ' O ' ' A' ' 3' ' ' HIS . 17.7 p-80 -139.05 117.04 11.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.579 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 7.9 p-80 -161.52 162.39 30.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.645 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -144.45 157.27 44.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 0.0 109.622 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.1 122.07 23.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 109.996 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 80.1 p -153.92 148.93 26.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 110.029 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -113.11 -109.48 2.94 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.535 1.147 . . . . 0.0 111.003 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.8 p-80 -136.65 175.26 9.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 0.759 . . . . 0.0 109.558 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.0 tt -161.28 -49.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 0.0 109.268 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -146.35 156.8 43.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 110.331 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 124.42 -95.67 0.5 Allowed Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.461 1.1 . . . . 0.0 111.036 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? 54.9 102.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 0.727 . . . . 0.0 110.307 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.596 ' CD2' ' N ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -155.28 46.31 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.623 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.566 ' HE1' ' CE1' ' A' ' 48' ' ' PHE . 1.7 ttt 179.41 130.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 111.032 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 34.9 tp60 -84.87 131.21 34.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 110.271 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.79 -41.38 15.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.85 -31.87 29.57 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -61.73 -51.65 67.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.314 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.441 ' CD2' ' HE2' ' A' ' 15' ' ' MET . 11.9 mt -59.21 -33.36 70.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.69 -52.02 54.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.31 -44.86 95.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 56.1 mt -52.41 -54.85 13.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.8 tttm -49.44 -32.98 12.93 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.539 1.149 . . . . 0.0 109.209 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.87 -71.32 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.494 ' CD ' ' CG2' ' A' ' 40' ' ' THR . 9.2 pt-20 -46.67 -26.12 0.86 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 110.326 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.457 ' CG2' HG23 ' A' ' 40' ' ' THR . 18.6 t -81.59 -43.14 19.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.9 t -48.42 -32.64 7.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.008 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.21 -35.58 66.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.585 1.178 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.42 ' HB1' ' N ' ' A' ' 37' ' ' PHE . . . -44.77 166.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -105.13 162.62 19.19 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.203 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 108.09 2.64 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.422 1.748 . . . . 0.0 110.96 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 71.07 53.9 10.01 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.443 1.089 . . . . 0.0 110.976 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.3 m -137.97 158.8 70.63 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 0.0 109.973 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 49.14 2.17 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.453 1.765 . . . . 0.0 111.05 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.0 tp60 -121.48 -55.25 1.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.256 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.569 ' CE1' HD13 ' A' ' 41' ' ' ILE . 8.9 t80 -59.46 -50.47 73.8 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.587 1.18 . . . . 0.0 110.893 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.414 ' HE3' ' CD2' ' A' ' 118' ' ' LEU . 0.0 OUTLIER -52.4 -51.62 58.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 111.017 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -50.18 -48.38 54.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 110.271 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.494 ' CG2' ' CD ' ' A' ' 26' ' ' GLU . 86.5 m -52.0 -34.01 40.88 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.159 . . . . 0.0 110.363 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.569 HD13 ' CE1' ' A' ' 37' ' ' PHE . 2.8 mm -67.39 -47.71 80.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.58 1.175 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 40.0 mmm-85 -56.91 -32.79 66.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.17 -58.48 5.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.592 1.183 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.7 -37.14 67.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.4 t -71.12 -21.82 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.366 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -97.81 -0.58 44.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.269 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -94.34 -66.42 0.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.355 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.566 ' CE1' ' HE1' ' A' ' 15' ' ' MET . 7.8 p90 -116.19 -31.64 5.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.976 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.485 ' CB ' ' O ' ' A' ' 48' ' ' PHE . 2.6 t70 80.45 95.48 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.25 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 144.15 30.07 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.456 1.766 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.49 ' CG2' ' O ' ' A' ' 101' ' ' ALA . 1.4 m -93.22 -177.09 4.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.347 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.429 ' HB2' ' CZ ' ' A' ' 113' ' ' TYR . . . -49.86 -37.37 30.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.406 ' HD3' ' ND2' ' A' ' 102' ' ' ASN . 0.4 OUTLIER -68.4 -71.0 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.279 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.88 -37.33 3.83 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.449 1.093 . . . . 0.0 109.34 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.514 HD23 ' CD2' ' A' ' 117' ' ' TRP . 28.0 mt -68.37 -45.33 73.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.248 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 53' ' ' LYS . 15.8 tp60 -52.11 -51.24 59.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.424 1.078 . . . . 0.0 110.254 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.456 ' O ' ' CB ' ' A' ' 61' ' ' TYR . 32.9 t70 -68.34 -45.73 72.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 16.8 tp -56.76 -19.36 16.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 33.4 tp -82.04 -50.33 9.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.585 1.178 . . . . 0.0 109.252 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.15 20.12 3.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.331 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.456 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 26.3 t80 -120.19 -43.2 2.54 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.432 1.082 . . . . 0.0 110.944 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.3 mt -98.14 -65.45 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.208 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.482 ' HB3' ' CG1' ' A' ' 67' ' ' VAL . 10.3 m -61.59 -175.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 108.258 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.66 -179.12 3.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.099 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.14 -54.81 12.97 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.529 1.143 . . . . 0.0 110.058 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.6 tp -52.36 -52.74 51.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.416 1.073 . . . . 0.0 109.28 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.482 ' CG1' ' HB3' ' A' ' 63' ' ' CYS . 1.4 t -54.63 -52.51 40.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -44.77 -41.73 7.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.296 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.2 t -68.74 -46.64 68.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.579 1.174 . . . . 0.0 109.995 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 31.2 mt -54.49 -53.89 48.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.519 ' CE1' HD21 ' A' ' 75' ' ' LEU . 2.5 t60 -59.79 -45.71 91.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 109.607 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -49.04 -44.53 41.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.094 . . . . 0.0 109.608 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 15.9 tp60 -64.41 -37.4 87.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.277 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.62 -21.26 61.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.238 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.519 HD21 ' CE1' ' A' ' 71' ' ' HIS . 0.3 OUTLIER -83.68 -39.27 20.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.123 . . . . 0.0 109.26 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -60.2 -42.24 94.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.168 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.4 t -73.28 -45.79 53.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.573 1.17 . . . . 0.0 109.956 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.465 ' HB3' ' CD1' ' A' ' 116' ' ' LEU . 5.4 mp -55.28 -56.47 19.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.437 ' CG1' HD23 ' A' ' 97' ' ' LEU . 1.1 mp -50.14 -46.54 24.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.429 1.08 . . . . 0.0 109.276 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.0 t -50.98 -30.73 15.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.591 1.182 . . . . 0.0 110.007 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -71.34 -38.38 71.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 110.314 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.45 ' HB2' ' CG1' ' A' ' 87' ' ' ILE . . . -66.59 -60.48 2.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.453 ' CD ' ' CE2' ' A' ' 90' ' ' TYR . 0.3 OUTLIER -50.68 -32.96 20.8 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.102 . . . . 0.0 110.318 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.1 m -63.39 -43.94 96.15 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.44 1.087 . . . . 0.0 110.407 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.01 -6.17 51.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.193 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 83.51 -11.69 54.8 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.457 1.098 . . . . 0.0 111.044 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.473 ' CG2' ' N ' ' A' ' 88' ' ' THR . 44.1 mt 57.12 163.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.589 0.817 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.473 ' N ' ' CG2' ' A' ' 87' ' ' ILE . 1.2 t -51.54 -59.87 3.78 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.442 1.089 . . . . 0.0 110.372 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -148.77 56.7 0.48 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.552 1.157 . . . . 0.0 110.989 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.471 ' C ' ' CD1' ' A' ' 90' ' ' TYR . 1.9 t80 -79.84 148.13 31.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 0.757 . . . . 0.0 111.009 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -118.79 129.47 25.38 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -27.48 10.05 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.477 1.778 . . . . 0.0 110.949 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.523 ' C ' ' CD1' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -60.93 -21.05 63.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 0.0 109.318 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.523 ' O ' ' C ' ' A' ' 95' ' ' GLY . . . -95.0 53.68 1.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.239 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.523 ' C ' ' O ' ' A' ' 94' ' ' ALA . . . -26.31 -58.0 0.08 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.476 1.11 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 80.59 2.4 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.525 1.803 . . . . 0.0 111.015 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.437 HD23 ' CG1' ' A' ' 79' ' ' ILE . 0.3 OUTLIER -50.82 -28.99 10.56 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -64.83 -15.0 61.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.248 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 54.7 t -91.88 -43.14 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.415 ' HA ' ' ND2' ' A' ' 103' ' ' ASN . 3.6 pt20 -75.23 -13.36 60.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.49 ' O ' ' CG2' ' A' ' 51' ' ' THR . . . -79.72 -18.09 52.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.429 ' HA ' ' CG2' ' A' ' 51' ' ' THR . 14.3 m-80 -91.2 -4.85 55.69 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.443 1.089 . . . . 0.0 109.255 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.415 ' ND2' ' HA ' ' A' ' 100' ' ' GLN . 3.6 m-20 -80.4 128.71 71.83 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -24.83 12.39 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.429 1.752 . . . . 0.0 110.942 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.78 -35.78 66.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -115.01 73.12 0.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.346 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.46 ' HA ' ' CD ' ' A' ' 110' ' ' ARG . 3.2 pt20 -73.39 -5.28 38.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.343 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -75.18 -38.56 39.39 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.506 1.129 . . . . 0.0 110.977 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.424 ' CD1' HG22 ' A' ' 87' ' ' ILE . 1.2 mt -84.8 -41.61 15.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 0.771 . . . . 0.0 109.354 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.46 ' CD ' ' HA ' ' A' ' 107' ' ' GLN . 1.6 ptm180 -53.77 -37.0 62.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.421 ' N ' ' CG ' ' A' ' 110' ' ' ARG . 0.0 OUTLIER -78.04 -53.87 6.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 113' ' ' TYR . 0.0 OUTLIER -53.65 -25.48 18.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 110.335 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.429 ' CZ ' ' HB2' ' A' ' 52' ' ' ALA . 2.5 t80 -80.97 -36.36 30.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 0.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.51 -45.68 93.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.267 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.02 -38.1 75.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' A' ' 78' ' ' LEU . 0.1 OUTLIER -67.68 -29.14 68.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.514 ' CD2' HD23 ' A' ' 55' ' ' LEU . 79.7 t90 -65.82 -49.55 67.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 108.029 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.44 ' CD2' ' CG2' ' A' ' 41' ' ' ILE . 83.4 mt -60.66 -28.47 68.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -59.99 -54.84 41.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.105 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.452 ' CB ' HD23 ' A' ' 75' ' ' LEU . . . -66.48 -34.47 78.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -66.26 -26.64 67.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 110.974 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -103.7 0.58 30.78 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -92.54 0.29 57.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.255 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 90.9 mt -65.07 150.0 96.02 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 109.347 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 55.63 3.96 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.53 1.805 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 127' ' ' SER . . . 172.62 -46.38 0.17 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.445 1.091 . . . . 0.0 110.986 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 126' ' ' GLY . 27.3 t -39.46 -58.77 1.2 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 0.737 . . . . 0.0 110.04 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -105.07 107.16 17.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.252 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 77.44 171.37 0.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.078 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 177.3 166.35 0.5 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 117.21 4.83 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.469 1.773 . . . . 0.0 110.956 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.08 -22.65 60.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.007 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.445 ' HA ' ' CD1' ' A' ' 136' ' ' ILE . 38.6 p-90 -74.88 -20.01 59.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 108.035 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.32 -12.96 33.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.392 1.058 . . . . 0.0 109.309 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 5.3 t -126.14 31.0 5.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.01 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.445 ' CD1' ' HA ' ' A' ' 133' ' ' TRP . 23.3 mt -118.49 119.06 60.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.254 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.461 ' CB ' ' HB3' ' A' ' 176' ' ' ASN . 0.2 OUTLIER -136.73 137.7 40.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . 0.574 ' HG3' ' CD2' ' A' ' 144' ' ' TYR . 0.0 OUTLIER -55.95 141.51 39.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 110.336 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -102.83 123.75 7.94 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.427 1.079 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.403 ' HA ' ' ND2' ' A' ' 178' ' ' ASN . 0.0 OUTLIER -48.81 -44.45 39.2 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 0.74 . . . . 0.0 109.377 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -98.13 38.43 1.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 110.361 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -140.74 171.45 7.64 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 110.329 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.0 108.51 2.74 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.477 1.778 . . . . 0.0 110.97 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . 0.574 ' CD2' ' HG3' ' A' ' 138' ' ' GLN . 7.8 t80 -69.77 -43.72 71.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . 0.478 ' CD2' ' C ' ' A' ' 145' ' ' HIS . 0.2 OUTLIER -62.58 -58.68 6.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.58 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -54.56 -32.24 58.05 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.47 1.106 . . . . 0.0 109.343 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . 0.562 ' CE1' HD12 ' A' ' 151' ' ' LEU . 7.4 t80 -70.91 -32.9 69.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.971 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 75.4 t -68.0 -47.55 78.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -56.16 -44.74 79.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 110.264 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 153' ' ' ILE . 5.9 ttt180 -65.55 -55.33 18.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 110.299 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.562 HD12 ' CE1' ' A' ' 147' ' ' PHE . 0.4 OUTLIER -41.37 -33.1 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.107 . . . . 0.0 109.232 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . 0.475 ' OD1' ' CE ' ' A' ' 165' ' ' LYS . 41.9 t-20 -73.98 -49.56 23.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.259 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . 0.444 ' N ' ' O ' ' A' ' 150' ' ' ARG . 5.6 mt -60.02 -64.98 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -46.27 -30.73 2.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.269 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 0.505 ' CD1' ' O ' ' A' ' 151' ' ' LEU . 5.5 mt -68.61 -60.98 2.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -50.29 -22.91 1.98 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.59 -33.69 69.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 155' ' ' LEU . . . -126.36 39.99 1.9 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.531 1.144 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -129.89 116.42 18.04 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.529 0.782 . . . . 0.0 109.305 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 165.93 30.29 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.55 1.816 . . . . 0.0 111.006 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.14 4.27 20.65 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -114.13 20.72 16.36 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.51 1.131 . . . . 0.0 111.025 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 1.2 m -145.91 142.05 17.38 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.498 0.764 . . . . 0.0 110.355 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 137.49 21.84 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.549 1.815 . . . . 0.0 111.023 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . 0.475 ' CE ' ' OD1' ' A' ' 152' ' ' ASN . 0.1 OUTLIER -117.07 -38.16 3.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . 0.509 ' N ' ' CD ' ' A' ' 167' ' ' PRO . 0.2 OUTLIER -40.05 -52.27 5.48 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.329 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 166' ' ' ASP . 18.1 Cg_endo -75.04 -51.06 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.235 0 O-C-N 124.518 1.799 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . 0.464 ' CG2' HD23 ' A' ' 155' ' ' LEU . 0.0 OUTLIER -46.92 -35.52 2.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.258 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . 0.45 HD21 ' CD2' ' A' ' 195' ' ' LEU . 50.6 tp -64.91 -67.35 0.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.09 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . 0.493 ' O ' ' CB ' ' A' ' 174' ' ' TYR . 1.0 OUTLIER -45.99 -35.19 4.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.264 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.17 -37.55 83.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.049 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.495 HD12 ' CD1' ' A' ' 155' ' ' LEU . 22.1 mt -70.2 -46.97 63.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.343 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . 0.422 ' CB ' ' SD ' ' A' ' 198' ' ' MET . . . -75.88 -1.87 27.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.368 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 174' ' ' TYR . . . . . 0.493 ' CB ' ' O ' ' A' ' 170' ' ' ARG . 0.5 OUTLIER -99.72 -72.1 0.68 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 175' ' ' SER . . . . . 0.431 ' N ' ' CG ' ' A' ' 174' ' ' TYR . 0.2 OUTLIER -63.5 -56.56 15.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 0.0 110.011 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . 0.461 ' HB3' ' CB ' ' A' ' 137' ' ' LEU . 3.2 m-20 -79.45 58.34 2.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.559 1.162 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' A' ' 178' ' ' ASN . . . -139.62 88.55 2.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.474 1.109 . . . . 0.0 109.355 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . 0.587 ' ND2' ' CZ2' ' A' ' 205' ' ' TRP . 0.5 OUTLIER 40.38 -159.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.281 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.33 -7.37 10.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.534 1.146 . . . . 0.0 109.258 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 18.7 pm0 -113.1 -26.09 8.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.329 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 181' ' ' CYS . . . . . 0.539 ' SG ' ' CE2' ' A' ' 205' ' ' TRP . 1.1 m -65.65 -58.48 5.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 108.243 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . 0.465 ' HG3' ' CD1' ' A' ' 174' ' ' TYR . 6.9 tt0 -46.08 -37.2 6.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.229 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -37.37 83.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 181' ' ' CYS . 3.4 tt -59.51 -50.28 74.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . 0.425 HD22 ' NE2' ' A' ' 190' ' ' HIS . 5.3 mt -50.92 -53.41 32.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 189' ' ' GLY . 23.1 mm-40 -58.78 -54.99 40.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.415 1.072 . . . . 0.0 110.294 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -45.79 -43.51 13.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . 0.405 ' HG3' ' CD2' ' A' ' 184' ' ' LEU . 0.1 OUTLIER -61.21 -34.45 75.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.344 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 189' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 186' ' ' GLN . . . 79.16 46.28 8.33 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.49 1.118 . . . . 0.0 110.969 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . 0.602 ' CG ' ' O ' ' A' ' 190' ' ' HIS . 1.8 p80 -149.7 45.8 0.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.771 . . . . 0.0 109.53 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -65.8 -48.04 73.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.409 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -84.08 57.73 4.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 193' ' ' SER . . . . . 0.534 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER -129.21 179.65 1.25 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.005 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . 0.534 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.6 Cg_endo -74.9 -167.23 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.469 1.773 . . . . 0.0 111.001 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 198' ' ' MET . 13.1 tp -86.36 -49.95 7.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.363 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -43.3 -40.99 4.86 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.528 1.143 . . . . 0.0 111.047 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . 0.457 ' HB3' ' CE1' ' A' ' 190' ' ' HIS . 2.0 t0 -67.48 -39.49 85.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.578 0.81 . . . . 0.0 109.223 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 198' ' ' MET . . . . . 0.454 ' N ' ' O ' ' A' ' 195' ' ' LEU . 52.5 ttm -60.74 -28.42 68.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.929 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 199' ' ' LEU . . . . . 0.405 ' O ' ' HB3' ' A' ' 203' ' ' GLN . 2.0 mm? -80.36 -24.97 39.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.355 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.9 -8.89 58.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.32 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -99.66 -30.47 12.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.394 1.059 . . . . 0.0 109.325 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 202' ' ' CYS . . . . . . . . . . . . . 14.0 p -87.77 -16.54 33.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.591 1.182 . . . . 0.0 108.308 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 203' ' ' GLN . . . . . 0.405 ' HB3' ' O ' ' A' ' 199' ' ' LEU . 8.4 pt20 -57.03 -16.75 7.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.251 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 204' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 206' ' ' THR . 0.1 OUTLIER -109.1 -4.87 16.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.347 -179.879 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 205' ' ' TRP . . . . . 0.587 ' CZ2' ' ND2' ' A' ' 178' ' ' ASN . 33.7 t90 -70.55 60.97 0.23 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 108.034 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 206' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 204' ' ' THR . 59.6 p -129.8 95.39 29.16 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 110.441 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 88.86 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.474 1.776 . . . . 0.0 111.042 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 208' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.73 178.88 8.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.46 -56.33 4.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 60.99 98.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 3.7 m -88.65 85.16 6.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.396 1.06 . . . . 0.0 110.462 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.01 162.97 5.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.352 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 213' ' ' VAL . . . . . . . . . . . . . 8.0 p -139.1 140.01 39.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.163 . . . . 0.0 109.359 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 214' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.577 1.173 . . . . 0.0 109.265 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 5.3 p80 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -94.84 -62.34 1.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.618 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -159.23 147.44 17.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.095 . . . . 0.0 109.659 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -153.24 101.79 2.57 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.422 1.076 . . . . 0.0 109.645 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -163.04 103.58 1.0 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 0.0 109.602 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.5 m -105.25 164.3 11.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.01 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 68.1 m -117.91 122.27 42.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.976 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -170.62 118.92 0.78 Allowed Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.545 1.153 . . . . 0.0 110.998 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 59.7 m80 -110.17 131.73 54.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 0.773 . . . . 0.0 109.571 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.9 tp -99.52 143.11 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -80.61 -63.02 1.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 110.32 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -116.46 -167.41 14.72 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.441 1.088 . . . . 0.0 110.983 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.39 123.94 5.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 0.785 . . . . 0.0 110.282 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.402 ' O ' ' O ' ' A' ' 15' ' ' MET . 1.1 m170 -134.42 68.53 1.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.607 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.442 ' HE1' ' CD2' ' A' ' 20' ' ' LEU . 0.7 OUTLIER 49.13 100.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.8 pm0 -95.47 -176.0 3.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.092 . . . . 0.0 110.36 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -43.5 73.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.73 -50.13 73.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -52.57 -52.36 55.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.521 ' HB3' ' CE2' ' A' ' 61' ' ' TYR . 21.4 mt -61.09 -29.33 69.69 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -68.62 -54.9 13.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.34 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.39 -44.03 65.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.411 ' C ' ' N ' ' A' ' 25' ' ' GLN . 15.3 mt -57.62 -54.49 30.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.0 ttpp -46.13 -26.25 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.411 ' N ' ' C ' ' A' ' 23' ' ' ILE . 0.3 OUTLIER -75.24 -68.41 0.56 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -51.34 -25.57 6.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.313 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 43.7 t -78.77 -48.0 22.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.279 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.2 t -51.0 -24.07 3.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.049 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.49 -40.89 56.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.28 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.472 ' CB ' ' HB3' ' A' ' 36' ' ' GLN . . . -52.46 166.96 0.15 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 109.269 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -104.35 162.82 18.7 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.01 118.9 5.43 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.446 1.761 . . . . 0.0 111.035 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 72.1 30.85 64.75 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.501 1.126 . . . . 0.0 111.033 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 63.8 m -117.96 152.81 50.7 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.555 0.797 . . . . 0.0 110.002 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 50.85 2.63 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.52 1.8 . . . . 0.0 110.974 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.472 ' HB3' ' CB ' ' A' ' 30' ' ' ALA . 31.0 tp60 -121.25 -49.91 2.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.326 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.483 ' CE1' HD13 ' A' ' 41' ' ' ILE . 5.7 t80 -62.28 -64.34 0.96 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 110.963 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 9.5 tpt -44.23 -35.5 2.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -63.7 -38.41 91.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 110.258 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.44 ' N ' ' O ' ' A' ' 37' ' ' PHE . 1.2 m -69.8 -16.68 63.32 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 110.364 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.483 HD13 ' CE1' ' A' ' 37' ' ' PHE . 10.1 mm -80.72 -40.66 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.347 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.51 -37.67 68.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.163 . . . . 0.0 110.337 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.05 -43.36 95.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.351 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.52 -36.76 83.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -70.66 -25.28 26.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.78 -0.94 47.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.32 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -92.47 -71.75 0.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -108.68 -26.47 10.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 0.0 111.059 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 72.2 94.98 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 150.74 38.53 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.494 1.786 . . . . 0.0 110.996 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.0 p -88.81 -177.04 5.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.436 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.07 -51.3 58.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.358 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.413 ' HD3' ' ND2' ' A' ' 102' ' ' ASN . 0.0 OUTLIER -58.16 -59.98 4.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.39 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -44.33 -39.73 4.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.519 ' CD1' ' CG ' ' A' ' 117' ' ' TRP . 25.6 mt -67.69 -44.44 77.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 53' ' ' LYS . 16.9 tp60 -53.65 -53.23 54.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -66.28 -43.62 85.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.599 1.187 . . . . 0.0 109.352 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.564 HD21 ' CH2' ' A' ' 117' ' ' TRP . 21.1 tp -55.59 -28.12 53.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.472 ' CD2' ' CE1' ' A' ' 72' ' ' HIS . 26.3 tp -73.47 -38.48 65.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.66 4.59 46.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.27 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.521 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 1.3 t80 -96.7 -49.22 5.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 110.958 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.0 mt -112.69 -57.46 2.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.253 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 1.3 m -52.56 123.83 12.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 108.223 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.0 p -65.04 165.36 11.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.577 1.173 . . . . 0.0 110.025 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.7 m -50.32 -70.0 0.1 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.157 . . . . 0.0 109.958 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.471 ' CD1' HD12 ' A' ' 70' ' ' LEU . 10.2 tp -44.63 -57.47 3.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.4 t -49.16 -48.73 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.233 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.65 -54.25 30.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.5 p -53.7 -44.83 70.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.059 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.471 HD12 ' CD1' ' A' ' 66' ' ' LEU . 0.8 OUTLIER -57.94 -44.65 87.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.563 ' CD2' ' HB1' ' A' ' 120' ' ' ALA . 53.3 t-80 -65.27 -37.89 88.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.532 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.472 ' CE1' ' CD2' ' A' ' 59' ' ' LEU . 27.1 m80 -54.99 -42.49 72.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.597 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -71.91 -52.62 16.35 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.434 1.084 . . . . 0.0 110.369 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.77 -23.63 7.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.475 HD23 ' CB ' ' A' ' 120' ' ' ALA . 0.2 OUTLIER -83.47 -58.95 2.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.256 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -42.34 -39.08 2.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 109.249 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.49 -48.31 49.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.018 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.464 ' HB3' ' CD1' ' A' ' 116' ' ' LEU . 0.8 OUTLIER -53.54 -53.32 53.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.568 1.167 . . . . 0.0 109.345 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 6.9 mm -49.41 -50.53 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.465 ' HA ' ' CG ' ' A' ' 83' ' ' GLU . 1.6 p -48.67 -35.02 12.96 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.549 1.156 . . . . 0.0 110.04 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -65.62 -36.45 83.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 110.224 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.01 -65.4 0.77 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.553 1.158 . . . . 0.0 109.346 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.465 ' CG ' ' HA ' ' A' ' 80' ' ' SER . 1.5 pt-20 -49.78 -23.11 1.67 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.402 ' CB ' ' O ' ' A' ' 80' ' ' SER . 1.2 m -73.65 -42.98 60.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 110.374 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.38 -1.57 37.68 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.581 1.176 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 83.36 -9.94 60.13 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.443 1.089 . . . . 0.0 110.993 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.472 HD12 ' CG ' ' A' ' 90' ' ' TYR . 67.7 mt 59.64 154.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 0.781 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 3.2 t -52.85 -55.86 20.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.377 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -151.73 59.46 0.42 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.58 1.175 . . . . 0.0 110.938 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.544 ' CG ' ' N ' ' A' ' 91' ' ' ASN . 16.9 t80 -78.95 169.07 18.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 0.755 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.544 ' N ' ' CG ' ' A' ' 90' ' ' TYR . 2.1 t-20 -130.18 129.23 22.88 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 -23.83 13.4 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.479 1.778 . . . . 0.0 111.01 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.483 ' C ' ' CD1' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -73.81 -15.6 61.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 95' ' ' GLY . . . -99.76 53.77 0.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 94' ' ' ALA . . . -34.57 -54.32 0.79 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.434 ' CD ' ' N ' ' A' ' 95' ' ' GLY . 18.3 Cg_endo -75.0 85.09 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.567 1.825 . . . . 0.0 111.044 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.1 tp -53.89 -20.68 6.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 9.8 ptt180 -74.32 -8.37 56.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.276 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 53.5 t -99.62 -59.63 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -56.83 -17.95 11.15 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.551 1.157 . . . . 0.0 110.274 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.33 -38.09 56.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.413 ' ND2' ' HD3' ' A' ' 53' ' ' LYS . 29.2 p30 -101.26 33.19 2.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -107.08 140.28 21.26 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.219 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 48.79 2.07 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.523 1.801 . . . . 0.0 111.033 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -144.69 -47.14 0.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.285 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -89.36 113.92 25.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.312 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -106.58 -34.49 7.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -65.96 -58.67 8.58 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.454 1.096 . . . . 0.0 110.985 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.465 ' CD1' HG21 ' A' ' 87' ' ' ILE . 0.4 OUTLIER -60.78 -51.69 68.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 0.767 . . . . 0.0 109.317 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -43.04 -35.43 1.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 110.377 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.7 -53.91 7.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.535 1.147 . . . . 0.0 110.279 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -17.22 9.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -84.91 -39.19 18.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -63.44 -48.95 75.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.57 1.169 . . . . 0.0 110.35 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -68.32 -35.78 78.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.436 1.085 . . . . 0.0 110.265 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.464 ' CD1' ' HB3' ' A' ' 78' ' ' LEU . 8.2 tt -66.72 -36.71 83.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.789 ' CZ2' ' CE1' ' A' ' 121' ' ' PHE . 86.5 t90 -62.61 -43.34 99.05 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.459 ' CD2' HG21 ' A' ' 41' ' ' ILE . 65.7 mt -65.63 -31.8 73.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -57.65 -60.6 3.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.563 ' HB1' ' CD2' ' A' ' 71' ' ' HIS . . . -58.23 -37.24 74.49 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.789 ' CE1' ' CZ2' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -60.38 -31.91 70.8 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 110.918 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -97.18 0.75 48.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -92.98 -0.15 57.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 60.1 mt -74.65 154.32 87.41 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -6.32 17.93 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.562 1.822 . . . . 0.0 110.978 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -135.61 47.68 0.97 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.534 1.146 . . . . 0.0 111.049 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.41 48.61 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 0.795 . . . . 0.0 109.954 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -159.48 -68.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.41 1.069 . . . . 0.0 109.34 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -143.97 -174.11 4.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.554 1.159 . . . . 0.0 109.241 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -110.29 160.19 29.27 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 162.19 37.66 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.428 1.752 . . . . 0.0 111.057 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.51 -31.96 63.98 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.616 1.197 . . . . 0.0 109.935 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.476 ' HA ' ' CD1' ' A' ' 136' ' ' ILE . 20.8 p-90 -73.67 -15.41 61.24 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.34 -11.08 38.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 3.4 t -133.4 33.27 3.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.476 ' CD1' ' HA ' ' A' ' 133' ' ' TRP . 65.1 mt -115.59 117.22 54.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.81 162.61 35.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.079 . . . . 0.0 109.302 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . 0.568 ' OE1' ' CD1' ' A' ' 144' ' ' TYR . 4.9 tt0 -87.97 103.06 15.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 110.268 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -59.18 159.43 19.2 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.585 1.178 . . . . 0.0 110.974 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -67.1 -25.03 66.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 0.748 . . . . 0.0 109.296 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -116.65 40.07 3.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 110.236 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -138.97 159.64 66.08 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.442 1.089 . . . . 0.0 110.272 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 150.82 38.59 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.483 1.78 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . 0.568 ' CD1' ' OE1' ' A' ' 138' ' ' GLN . 6.5 t80 -105.04 -40.04 6.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 111.04 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . 0.467 ' HA ' ' CD1' ' A' ' 199' ' ' LEU . 0.5 OUTLIER -60.63 -53.78 53.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.575 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.0 -26.91 68.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.358 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . 0.575 ' CE2' HD12 ' A' ' 151' ' ' LEU . 60.3 t80 -73.5 -42.8 61.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.137 . . . . 0.0 111.0 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.511 ' CG2' ' O ' ' A' ' 144' ' ' TYR . 46.7 t -58.03 -46.57 87.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 109.258 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -56.78 -56.13 25.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.264 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 153' ' ' ILE . 4.6 mmt180 -56.59 -47.86 78.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.575 HD12 ' CE2' ' A' ' 147' ' ' PHE . 0.7 OUTLIER -44.76 -41.63 7.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -66.48 -40.9 89.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 156' ' ' ASP . 1.2 mp -65.09 -69.22 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -41.87 -29.06 0.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.335 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 0.465 ' CD1' HD11 ' A' ' 169' ' ' LEU . 6.4 mt -76.67 -50.47 13.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 153' ' ' ILE . 12.9 t70 -52.78 -20.46 3.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -92.1 -25.47 18.73 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.57 1.169 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 155' ' ' LEU . . . -136.73 53.88 0.73 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.513 1.133 . . . . 0.0 111.039 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 155' ' ' LEU . 0.2 OUTLIER -166.07 103.63 0.71 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.75 . . . . 0.0 109.281 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 157.19 43.08 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.419 1.747 . . . . 0.0 111.022 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 163' ' ' THR . 6.4 mt-10 -61.49 -51.07 70.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.275 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -40.06 -28.43 0.16 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.469 1.106 . . . . 0.0 111.015 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' THR . . . . . 0.421 ' N ' ' O ' ' A' ' 161' ' ' GLU . 1.9 m -100.23 145.67 30.64 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.444 0.732 . . . . 0.0 110.417 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 128.48 11.5 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.465 1.771 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 1.1 tmpt? -110.13 -24.54 10.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . 0.493 ' CB ' ' HD3' ' A' ' 167' ' ' PRO . 0.4 OUTLIER -52.6 -52.59 62.45 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' PRO . . . . . 0.493 ' HD3' ' CB ' ' A' ' 166' ' ' ASP . 18.1 Cg_endo -75.01 -37.19 2.13 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.553 1.817 . . . . 0.0 110.966 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . 0.421 ' CD1' HD21 ' A' ' 159' ' ' LEU . 0.0 OUTLIER -61.51 -34.7 62.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.571 1.17 . . . . 0.0 109.319 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . 0.465 HD11 ' CD1' ' A' ' 155' ' ' LEU . 12.5 tp -71.24 -58.99 3.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 7.5 mtm105 -47.39 -25.41 1.02 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 110.28 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.17 -57.68 3.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 109.922 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.464 ' CB ' HD21 ' A' ' 151' ' ' LEU . 27.6 mt -51.97 -21.04 2.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . 0.506 ' O ' ' CB ' ' A' ' 177' ' ' ALA . . . -91.41 -68.05 0.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.102 . . . . 0.0 109.271 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 174' ' ' TYR . . . . . 0.422 ' OH ' ' NE2' ' A' ' 186' ' ' GLN . 3.0 t80 -73.81 -65.68 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 110.949 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 8.1 t -43.49 -27.99 0.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.944 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . 0.401 ' N ' ' C ' ' A' ' 174' ' ' TYR . 54.9 m-20 -126.27 56.39 1.45 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 173' ' ' ALA . . . -121.53 136.94 54.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . 0.447 ' OD1' ' N ' ' A' ' 178' ' ' ASN . 2.8 p-10 -52.58 -175.67 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.33 -47.63 22.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -56.58 -27.31 57.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.595 1.185 . . . . 0.0 110.291 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 181' ' ' CYS . . . . . 0.545 ' SG ' ' CE2' ' A' ' 144' ' ' TYR . 54.0 t -84.51 -68.98 0.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 108.259 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' A' ' 183' ' ' LYS . 3.1 pp0? -44.13 -33.53 1.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.362 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 183' ' ' LYS . . . . . 0.409 ' N ' ' HG3' ' A' ' 182' ' ' GLN . 11.5 ttpp -73.43 -42.32 62.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.591 1.182 . . . . 0.0 109.316 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . 0.51 HD12 ' CG ' ' A' ' 205' ' ' TRP . 2.1 tt -57.79 -50.46 73.18 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . 0.508 ' CD1' ' SD ' ' A' ' 198' ' ' MET . 6.7 mt -52.37 -55.6 20.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . 0.422 ' NE2' ' OH ' ' A' ' 174' ' ' TYR . 20.5 mm-40 -55.59 -47.3 76.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.329 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -58.08 -21.64 46.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . 0.472 ' HG3' ' CD2' ' A' ' 184' ' ' LEU . 0.0 OUTLIER -91.9 -22.04 20.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.536 1.147 . . . . 0.0 110.296 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 65.93 55.51 19.06 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . 0.561 ' CG ' ' O ' ' A' ' 190' ' ' HIS . 1.5 p80 -155.02 36.92 0.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 0.741 . . . . 0.0 109.619 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 43.4 p -60.84 -60.22 4.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.402 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -77.16 59.99 1.83 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 193' ' ' SER . . . . . 0.539 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER -134.64 -179.47 1.08 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.974 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . 0.539 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.4 Cg_endo -74.96 -168.6 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.495 1.787 . . . . 0.0 110.962 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . 0.461 HD22 ' CG1' ' A' ' 148' ' ' VAL . 4.7 tp -86.05 -36.36 19.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -45.54 -40.43 8.52 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.544 1.153 . . . . 0.0 110.976 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . 0.403 ' HB3' ' ND1' ' A' ' 190' ' ' HIS . 13.6 m-20 -77.3 -29.17 53.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 0.741 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 198' ' ' MET . . . . . 0.508 ' SD ' ' CD1' ' A' ' 185' ' ' LEU . 32.7 tpp -60.28 -50.17 74.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 111.011 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 199' ' ' LEU . . . . . 0.467 ' CD1' ' HA ' ' A' ' 145' ' ' HIS . 2.7 mm? -73.3 -22.6 60.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.259 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -79.73 -17.52 53.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.261 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -93.01 -37.33 12.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.652 1.22 . . . . 0.0 109.308 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 202' ' ' CYS . . . . . 0.41 ' O ' ' C ' ' A' ' 203' ' ' GLN . 43.4 t -81.08 -21.39 40.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.149 . . . . 0.0 108.33 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 203' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 202' ' ' CYS . 12.8 pt20 -38.16 -36.54 0.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 110.288 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 6.6 t -113.28 -50.81 2.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.346 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 205' ' ' TRP . . . . . 0.59 ' CD1' ' O ' ' A' ' 205' ' ' TRP . 4.7 t90 43.48 60.17 2.73 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.119 . . . . 0.0 108.003 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 206' ' ' THR . . . . . . . . . . . . . 1.9 p -122.68 151.11 59.81 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 0.0 110.344 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 169.42 22.66 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.439 1.757 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 208' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.43 154.49 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . 4.8 p30 178.05 156.33 0.39 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -147.3 153.44 39.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 41.7 p -149.81 162.45 40.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 110.401 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.67 142.77 1.23 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.586 1.179 . . . . 0.0 109.272 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 213' ' ' VAL . . . . . . . . . . . . . 64.6 t -77.92 -64.62 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 214' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.112 . . . . 0.0 109.311 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 1.7 t60 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 52.3 m80 -113.57 176.25 5.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.65 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -155.77 173.16 17.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.167 . . . . 0.0 109.549 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 p80 -142.06 174.79 10.28 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.424 1.077 . . . . 0.0 109.607 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 10.4 p80 -99.34 174.82 6.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.607 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.5 m -161.78 170.73 19.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.956 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.2 p -99.94 170.78 8.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.0 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 170.96 179.51 42.2 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.485 1.116 . . . . 0.0 111.047 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.93 148.89 38.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 0.781 . . . . 0.0 109.581 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 pp -144.55 135.99 21.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.422 1.076 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -75.56 165.38 25.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.54 1.15 . . . . 0.0 110.255 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 41.27 -160.69 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.449 1.093 . . . . 0.0 110.962 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 ptt180 -178.13 60.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 110.292 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.45 ' NE2' ' O ' ' A' ' 49' ' ' ASP . 1.0 OUTLIER -120.38 46.4 1.99 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 1.168 . . . . 0.0 109.566 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.569 ' HG3' ' CZ ' ' A' ' 48' ' ' PHE . 2.8 ttt -178.99 85.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 19' ' ' ASP . 0.0 OUTLIER -80.02 153.92 28.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.447 ' O ' ' NE2' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -45.52 -25.6 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.908 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.44 -41.39 96.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 109.347 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 16' ' ' GLN . 0.6 OUTLIER -59.05 -58.77 7.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.092 . . . . 0.0 109.287 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.46 ' HB3' ' CE2' ' A' ' 61' ' ' TYR . 4.6 mt -54.72 -27.03 37.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' A' ' 17' ' ' MET . 4.9 mt-30 -71.55 -53.4 13.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.277 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.08 -30.59 68.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.098 . . . . 0.0 109.343 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 55.0 mt -66.39 -51.27 60.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.1 ttpp -51.59 -28.34 13.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.596 1.185 . . . . 0.0 109.374 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -72.17 -69.82 0.37 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.553 1.158 . . . . 0.0 110.297 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.442 ' CD ' ' CG2' ' A' ' 40' ' ' THR . 2.6 pt-20 -51.96 -23.74 5.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.267 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 30' ' ' ALA . 5.3 t -79.06 -47.6 22.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.353 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.2 t -48.18 -35.15 11.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 109.961 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -67.9 -32.34 72.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.273 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 27' ' ' VAL . . . -47.64 168.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -109.45 172.36 3.7 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 115.82 4.4 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.508 1.794 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 57.8 43.72 94.53 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.9 m -118.81 157.28 50.56 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.581 0.812 . . . . 0.0 109.962 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 48.48 2.01 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.401 1.738 . . . . 0.0 111.025 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -121.64 -58.8 1.73 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.477 ' CB ' ' HB3' ' A' ' 128' ' ' ALA . 3.0 t80 -54.91 -52.95 61.31 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.549 1.155 . . . . 0.0 110.985 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.434 ' HE1' ' CD2' ' A' ' 118' ' ' LEU . 0.0 OUTLIER -57.83 -41.95 83.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 42.2 tp60 -56.46 -36.16 68.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.442 ' CG2' ' CD ' ' A' ' 26' ' ' GLU . 1.3 m -68.32 -31.18 70.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.412 1.07 . . . . 0.0 110.417 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.46 HG22 ' CD2' ' A' ' 118' ' ' LEU . 16.8 mm -63.98 -47.67 89.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.2 tpp180 -66.04 -28.68 69.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.369 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.3 tp -67.29 -34.39 77.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.248 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.27 -42.96 22.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.113 . . . . 0.0 109.286 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.454 HG13 ' CD1' ' A' ' 118' ' ' LEU . 0.5 OUTLIER -68.53 -18.52 23.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -99.55 -24.22 14.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 110.26 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -67.42 -68.49 0.38 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 110.259 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.569 ' CZ ' ' HG3' ' A' ' 15' ' ' MET . 12.3 p90 -115.31 -28.18 6.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.45 ' O ' ' NE2' ' A' ' 14' ' ' HIS . 6.9 t70 75.4 94.79 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.44 ' CD ' ' HA ' ' A' ' 45' ' ' VAL . 18.1 Cg_endo -75.0 160.5 40.08 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.498 1.789 . . . . 0.0 110.955 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.6 p -90.41 -179.36 5.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 110.37 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.77 -51.99 66.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -51.74 -52.13 50.92 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.558 1.161 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -55.0 -49.63 71.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.253 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.46 ' HB3' ' CE2' ' A' ' 117' ' ' TRP . 20.0 mt -54.33 -47.76 72.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -48.38 -48.36 36.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.321 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.413 ' C ' ' N ' ' A' ' 59' ' ' LEU . 2.1 m-20 -69.79 -53.47 18.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 18.4 tp -48.21 -24.31 1.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.412 1.07 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.532 HD23 ' CD2' ' A' ' 71' ' ' HIS . 50.6 tp -76.9 -52.22 9.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.23 25.01 2.32 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.519 1.137 . . . . 0.0 110.237 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.46 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 36.0 t80 -120.69 -49.78 2.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.173 . . . . 0.0 111.007 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.5 mt -88.54 -53.27 4.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 109.343 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 60.4 m -82.12 -173.92 4.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 108.227 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.8 m -104.89 175.9 5.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.998 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.0 m -59.34 -44.28 92.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.047 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.448 HD11 ' CD1' ' A' ' 70' ' ' LEU . 6.7 tp -52.78 -60.33 3.4 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.45 1.094 . . . . 0.0 109.413 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.4 t -49.58 -49.02 19.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.147 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.19 -47.11 62.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.8 p -60.08 -54.03 50.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.985 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.448 ' CD1' HD11 ' A' ' 66' ' ' LEU . 63.5 mt -50.84 -51.91 46.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.565 ' CE1' HD23 ' A' ' 75' ' ' LEU . 2.5 t60 -57.44 -44.23 84.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.608 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -52.96 -23.55 7.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.633 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -80.9 -70.89 0.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.258 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.48 ' HG3' ' CB ' ' A' ' 120' ' ' ALA . 0.4 OUTLIER -47.2 -44.84 22.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.257 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.565 HD23 ' CE1' ' A' ' 71' ' ' HIS . 0.2 OUTLIER -58.44 -52.59 64.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -47.6 -51.47 21.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.1 t -62.7 -40.29 96.67 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.494 1.121 . . . . 0.0 109.96 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.42 ' HB3' ' CD1' ' A' ' 116' ' ' LEU . 5.9 mp -54.58 -45.52 73.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.461 ' CG2' HD22 ' A' ' 97' ' ' LEU . 12.2 mm -56.45 -54.62 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.415 ' HA ' ' CG ' ' A' ' 83' ' ' GLU . 0.5 OUTLIER -46.57 -28.81 1.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.409 1.068 . . . . 0.0 110.034 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -71.79 -39.42 69.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.33 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 79' ' ' ILE . . . -65.53 -58.69 5.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.415 ' CG ' ' HA ' ' A' ' 80' ' ' SER . 0.0 OUTLIER -55.15 -35.27 64.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.309 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.7 m -67.38 -47.22 71.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.592 1.183 . . . . 0.0 110.448 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.87 0.06 22.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 110.282 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 71.78 88.06 0.14 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.525 1.141 . . . . 0.0 110.966 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.534 HD13 ' CG ' ' A' ' 90' ' ' TYR . 82.2 mt -52.41 156.41 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.459 0.74 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.471 ' HG1' ' N ' ' A' ' 89' ' ' GLY . 0.0 OUTLIER -42.75 -73.8 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.382 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.471 ' N ' ' HG1' ' A' ' 88' ' ' THR . . . -140.35 54.69 0.65 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.482 1.114 . . . . 0.0 111.026 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.534 ' CG ' HD13 ' A' ' 87' ' ' ILE . 60.4 t80 -80.26 142.34 34.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 0.733 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -109.61 100.54 42.64 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 -23.62 13.73 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.495 ' CD2' ' C ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -56.58 -34.25 66.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.442 ' N ' ' CD1' ' A' ' 93' ' ' LEU . . . -63.59 -64.45 0.9 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.529 ' N ' ' CD ' ' A' ' 96' ' ' PRO . . . 125.4 -48.9 0.94 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.585 1.178 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.529 ' CD ' ' N ' ' A' ' 95' ' ' GLY . 18.2 Cg_endo -75.08 158.49 41.85 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.502 1.791 . . . . 0.0 110.931 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.461 HD22 ' CG2' ' A' ' 79' ' ' ILE . 19.0 tp -120.27 -48.79 2.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.439 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 0.1 OUTLIER -60.95 -27.4 68.21 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.439 1.087 . . . . 0.0 110.334 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 92.6 t -61.39 -47.12 94.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -71.35 -28.71 64.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.308 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.52 -37.98 71.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.375 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 98' ' ' ARG . 25.3 p30 -102.17 35.68 2.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -109.86 134.9 20.51 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.419 1.074 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 48.58 2.02 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.405 1.739 . . . . 0.0 110.973 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 20.7 mm-40 -147.72 -48.61 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.337 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.3 116.39 23.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.26 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 13.4 tm0? -106.41 -33.89 7.59 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -61.06 -56.89 21.42 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.466 ' CD1' HG22 ' A' ' 87' ' ' ILE . 1.3 mt -62.24 -44.91 95.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 0.734 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.45 -38.75 4.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 110.248 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.403 ' C ' ' N ' ' A' ' 113' ' ' TYR . 0.3 OUTLIER -75.75 -61.14 2.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.275 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.461 ' CG ' HD21 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -46.47 -24.71 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 0.0 110.256 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.425 ' N ' ' HG3' ' A' ' 112' ' ' GLU . 7.1 t80 -79.65 -40.89 28.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 111.017 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.423 ' NE2' ' OD1' ' A' ' 49' ' ' ASP . 26.5 mt-30 -59.36 -46.46 88.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.8 -49.82 23.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.473 ' CD2' HD13 ' A' ' 75' ' ' LEU . 7.6 tt -51.84 -42.44 62.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.799 ' CZ2' ' CE1' ' A' ' 121' ' ' PHE . 74.4 t90 -59.27 -51.52 69.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.567 1.167 . . . . 0.0 107.975 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.46 ' CD2' HG22 ' A' ' 41' ' ' ILE . 64.9 mt -54.99 -36.08 65.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.59 -58.58 7.19 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.435 1.084 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.48 ' CB ' ' HG3' ' A' ' 74' ' ' GLN . . . -51.45 -47.21 63.16 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.799 ' CE1' ' CZ2' ' A' ' 117' ' ' TRP . 0.3 OUTLIER -55.16 -50.03 70.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.59 -2.77 30.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.401 ' HB1' ' HA ' ' A' ' 120' ' ' ALA . . . -95.35 8.09 44.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.349 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 24.9 mt -86.84 157.55 54.56 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.115 . . . . 0.0 109.343 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 52.7 3.14 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.479 1.778 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.507 ' O ' ' N ' ' A' ' 128' ' ' ALA . . . 129.5 -42.16 1.45 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.453 ' OG ' ' N ' ' A' ' 128' ' ' ALA . 1.2 p 66.67 -62.05 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.77 . . . . 0.0 109.915 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.507 ' N ' ' O ' ' A' ' 126' ' ' GLY . . . -78.3 154.54 30.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 9.9 ttmt -151.9 167.59 27.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -159.96 161.06 26.84 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.08 158.26 41.97 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.491 1.785 . . . . 0.0 110.95 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.97 -31.18 58.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.965 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.426 ' CD1' HD22 ' A' ' 155' ' ' LEU . 25.5 p-90 -75.06 -10.08 59.14 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.571 1.17 . . . . 0.0 107.936 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -69.38 -8.29 45.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.236 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.04 30.6 4.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.03 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 44.4 mt -119.9 118.64 57.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.538 ' O ' ' CZ ' ' A' ' 147' ' ' PHE . 0.3 OUTLIER -135.5 -178.5 5.14 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . 0.44 ' HG3' ' CG ' ' A' ' 144' ' ' TYR . 0.0 OUTLIER -99.04 113.58 25.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.274 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . 0.423 ' O ' ' NE2' ' A' ' 138' ' ' GLN . . . -70.08 144.99 40.54 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.499 ' N ' ' ND2' ' A' ' 178' ' ' ASN . 2.1 tm? -57.56 -41.81 81.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.767 . . . . 0.0 109.212 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -114.27 41.38 2.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 110.287 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -125.96 160.38 57.1 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 99.55 1.26 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.579 1.831 . . . . 0.0 110.967 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . 0.576 ' CD2' ' SG ' ' A' ' 181' ' ' CYS . 1.3 t80 -62.24 -48.08 81.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . 0.476 ' HA ' ' CD1' ' A' ' 199' ' ' LEU . 3.0 t-160 -53.03 -55.58 22.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.61 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -59.88 -24.39 64.23 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.539 1.149 . . . . 0.0 109.341 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . 0.538 ' CZ ' ' O ' ' A' ' 137' ' ' LEU . 0.1 OUTLIER -75.39 -41.79 55.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.437 1.086 . . . . 0.0 110.996 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.518 ' CG2' ' CE1' ' A' ' 144' ' ' TYR . 46.2 t -60.18 -46.28 94.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.248 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.23 -53.3 59.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 110.237 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -44.65 93.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.294 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.468 ' O ' ' CD1' ' A' ' 155' ' ' LEU . 0.8 OUTLIER -49.1 -38.21 23.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.34 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -65.78 -47.85 73.78 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.561 1.163 . . . . 0.0 109.346 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . 0.404 ' C ' ' N ' ' A' ' 155' ' ' LEU . 2.8 mt -62.33 -67.93 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -43.76 -29.84 0.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.583 1.177 . . . . 0.0 109.265 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 0.468 ' CD1' ' O ' ' A' ' 151' ' ' LEU . 5.8 mt -69.0 -60.66 2.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -50.11 -22.74 1.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . 0.404 ' N ' ' C ' ' A' ' 155' ' ' LEU . 0.9 OUTLIER -70.31 -30.07 66.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . 0.446 ' O ' ' CD2' ' A' ' 159' ' ' LEU . . . -137.27 44.46 1.14 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.493 1.12 . . . . 0.0 110.959 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.446 ' CD2' ' O ' ' A' ' 158' ' ' GLY . 0.5 OUTLIER -132.3 116.18 15.26 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.468 0.746 . . . . 0.0 109.319 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 161.74 38.27 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.448 1.762 . . . . 0.0 111.062 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -77.07 -3.99 42.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.327 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -111.39 23.96 16.9 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.52 1.137 . . . . 0.0 111.036 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 2.5 m -137.33 141.01 32.4 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.471 0.748 . . . . 0.0 110.385 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 134.23 17.55 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.488 1.783 . . . . 0.0 110.96 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.77 -33.05 5.93 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . 0.509 ' N ' ' CD ' ' A' ' 167' ' ' PRO . 0.1 OUTLIER -41.02 -51.91 7.19 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 166' ' ' ASP . 18.3 Cg_endo -74.98 -52.71 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.538 1.81 . . . . 0.0 110.988 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -45.92 -47.34 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.228 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . 0.467 HD13 ' CD1' ' A' ' 155' ' ' LEU . 28.0 tp -61.48 -53.91 50.26 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 20.6 ttp85 -64.16 -12.04 36.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.273 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 171' ' ' SER . . . . . 0.494 ' O ' ' CB ' ' A' ' 175' ' ' SER . 0.3 OUTLIER -91.14 -33.74 15.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.967 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.461 ' CD1' HD23 ' A' ' 155' ' ' LEU . 7.0 mt -81.58 -16.27 52.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -92.91 -32.56 14.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.245 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 174' ' ' TYR . . . . . 0.404 ' C ' ' N ' ' A' ' 176' ' ' ASN . 81.1 t80 -107.28 -68.47 0.89 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 110.971 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 175' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 171' ' ' SER . 0.1 OUTLIER -44.92 -26.87 0.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.102 . . . . 0.0 109.99 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . 0.419 ' OD1' ' CD2' ' A' ' 137' ' ' LEU . 27.6 m-20 -125.04 61.68 1.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.258 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -132.98 147.19 52.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . 0.499 ' ND2' ' N ' ' A' ' 140' ' ' LEU . 0.4 OUTLIER -50.92 179.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.11 -36.53 47.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.221 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.53 -29.73 62.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 110.338 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 181' ' ' CYS . . . . . 0.576 ' SG ' ' CD2' ' A' ' 144' ' ' TYR . 23.3 t -72.03 -59.86 2.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 108.32 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . 0.404 ' O ' ' NE2' ' A' ' 186' ' ' GLN . 27.8 mt-30 -55.78 -43.46 76.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 0.0 110.266 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 9.3 ttpp -60.1 -35.89 76.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . 0.579 HD11 ' CD1' ' A' ' 205' ' ' TRP . 3.3 tt -64.21 -56.96 11.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . 0.508 ' CD2' ' NE2' ' A' ' 190' ' ' HIS . 4.9 mt -47.27 -50.44 21.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 189' ' ' GLY . 0.9 OUTLIER -61.32 -60.95 2.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.344 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -44.62 -27.04 0.43 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.138 . . . . 0.0 109.337 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . 0.418 ' N ' ' C ' ' A' ' 186' ' ' GLN . 0.2 OUTLIER -78.04 -44.89 25.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 189' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 186' ' ' GLN . . . 82.53 72.52 1.26 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.494 1.121 . . . . 0.0 111.043 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . 0.534 ' ND1' ' O ' ' A' ' 190' ' ' HIS . 4.5 p80 -166.71 29.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 0.733 . . . . 0.0 109.588 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 1.9 p -58.43 -50.26 74.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.336 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -63.97 -32.23 73.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 109.317 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 193' ' ' SER . . . . . 0.497 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.2 OUTLIER -49.46 178.03 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 109.983 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . 0.497 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.5 Cg_endo -74.92 -166.69 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.529 1.805 . . . . 0.0 111.065 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . 0.482 ' CD1' ' SD ' ' A' ' 198' ' ' MET . 4.4 tp -86.65 -40.28 15.27 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -47.23 -34.41 8.41 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.468 1.105 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . 0.422 ' HB3' ' ND1' ' A' ' 190' ' ' HIS . 46.4 t0 -69.42 -32.3 71.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 0.736 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 198' ' ' MET . . . . . 0.482 ' SD ' ' CD1' ' A' ' 195' ' ' LEU . 59.1 mtp -62.96 -31.52 72.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 199' ' ' LEU . . . . . 0.476 ' CD1' ' HA ' ' A' ' 145' ' ' HIS . 2.9 mm? -83.34 -21.69 33.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -91.22 -8.14 49.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -97.21 -38.65 9.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 202' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 203' ' ' GLN . 14.5 p -82.43 -24.22 34.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 108.28 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 203' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 202' ' ' CYS . 17.6 pt20 -35.53 -42.22 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 204' ' ' THR . . . . . 0.445 HG23 ' N ' ' A' ' 205' ' ' TRP . 4.4 t -99.83 -50.5 4.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.406 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 205' ' ' TRP . . . . . 0.579 ' CD1' HD11 ' A' ' 184' ' ' LEU . 4.6 t90 40.94 60.24 2.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 107.975 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 206' ' ' THR . . . . . 0.557 ' O ' ' CG2' ' A' ' 206' ' ' THR . 9.9 t -141.55 69.44 25.89 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 110.402 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 87.07 1.36 Allowed 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.518 1.799 . . . . 0.0 110.987 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 208' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -121.66 -57.67 1.8 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.398 1.061 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . 19.0 t70 178.3 -50.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.582 1.176 . . . . 0.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -55.68 118.17 4.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 109.297 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 3.4 m -144.68 94.48 2.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.433 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.38 113.47 0.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 213' ' ' VAL . . . . . . . . . . . . . 48.8 t -138.67 94.91 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.326 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 214' ' ' LEU . . . . . . . . . . . . . 1.2 tt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.582 1.176 . . . . 0.0 109.282 -179.964 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -63.9 -178.01 0.29 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.62 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -78.09 146.59 35.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.568 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -56.52 130.62 45.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.414 1.071 . . . . 0.0 109.562 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -99.53 166.67 11.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 109.604 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.3 t -161.31 113.84 1.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.958 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.6 t -80.14 -57.75 3.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -124.25 153.19 17.5 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.471 1.107 . . . . 0.0 110.957 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.422 ' CE1' ' O ' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -158.16 174.61 14.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.403 0.707 . . . . 0.0 109.675 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.422 ' O ' ' CE1' ' A' ' 9' ' ' HIS . 7.1 pt -74.42 166.67 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.589 1.181 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -115.94 170.83 8.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 0.0 110.273 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -110.37 -164.83 19.2 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.521 1.138 . . . . 0.0 110.968 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -144.06 82.39 1.71 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 0.748 . . . . 0.0 110.331 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.2 m170 -142.7 65.07 1.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.65 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.557 ' HG3' ' CE1' ' A' ' 48' ' ' PHE . 3.0 ttt 62.04 108.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.978 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 43.3 tp60 -80.99 145.72 31.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.323 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.43 -36.97 7.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.6 pttt -64.59 -40.1 94.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -52.97 -47.13 68.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.478 ' CD2' ' CE ' ' A' ' 15' ' ' MET . 17.0 mt -62.69 -36.82 84.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -63.16 -57.26 11.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.424 1.078 . . . . 0.0 110.295 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.32 -45.47 69.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.46 ' HA ' ' CG ' ' A' ' 26' ' ' GLU . 57.7 mt -51.97 -50.81 32.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.581 1.175 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -50.64 -31.52 16.36 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.518 1.137 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.26 -71.06 0.36 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.46 ' CG ' ' HA ' ' A' ' 23' ' ' ILE . 7.3 pt-20 -46.46 -24.53 0.52 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.517 1.136 . . . . 0.0 110.328 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.1 t -80.6 -47.96 20.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.1 t -46.5 -37.46 7.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.024 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -59.16 -42.37 90.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.473 ' CB ' ' HB3' ' A' ' 36' ' ' GLN . . . -62.92 179.27 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.56 163.21 49.94 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 63.29 6.02 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.516 1.798 . . . . 0.0 110.965 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 161.7 -34.28 0.37 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.2 t -68.42 141.65 93.6 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.464 0.744 . . . . 0.0 109.988 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 52.07 2.96 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.521 1.801 . . . . 0.0 111.063 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.473 ' HB3' ' CB ' ' A' ' 30' ' ' ALA . 9.5 tp60 -120.93 -41.83 2.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.34 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -64.21 -63.0 1.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 9.5 tpt -47.56 -47.09 28.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.937 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -51.17 -48.18 61.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.544 1.152 . . . . 0.0 110.323 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.401 ' CG2' ' CD ' ' A' ' 26' ' ' GLU . 5.1 m -56.46 -27.71 57.68 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.478 1.111 . . . . 0.0 110.435 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.418 ' N ' HD13 ' A' ' 41' ' ' ILE . 4.6 mm -74.81 -39.67 45.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.8 mmm180 -74.63 -22.48 58.89 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.6 tp -78.17 -48.3 16.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.53 -49.47 73.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.459 HG11 ' CD1' ' A' ' 118' ' ' LEU . 0.3 OUTLIER -60.75 -26.61 38.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.328 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.402 ' N ' HG12 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -95.29 0.07 53.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.271 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -89.26 -72.11 0.57 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.388 1.055 . . . . 0.0 110.246 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.557 ' CE1' ' HG3' ' A' ' 15' ' ' MET . 8.0 p90 -110.42 -26.4 9.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.427 ' CB ' ' O ' ' A' ' 48' ' ' PHE . 1.9 m-20 76.75 92.58 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.352 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 143.39 28.94 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.524 1.802 . . . . 0.0 110.984 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.8 p -65.69 -173.62 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.381 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 113' ' ' TYR . . . -65.83 -52.44 50.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.428 ' HD3' ' N ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -55.7 -39.86 71.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.428 ' N ' ' HD3' ' A' ' 53' ' ' LYS . 96.3 m-20 -59.12 -40.0 84.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 109.351 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.474 ' CD1' ' CG ' ' A' ' 117' ' ' TRP . 26.0 mt -64.61 -44.63 89.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.438 ' CA ' ' OE1' ' A' ' 56' ' ' GLN . 4.0 tp60 -55.34 -51.6 66.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.298 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -64.92 -45.03 87.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.335 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.565 HD23 ' CH2' ' A' ' 117' ' ' TRP . 20.7 tp -56.19 -31.95 63.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 46.0 tp -64.23 -58.11 7.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 109.296 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.46 -23.1 67.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.531 1.145 . . . . 0.0 110.316 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -63.22 -59.44 4.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.7 mt -96.06 -69.28 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 68.4 m -51.97 137.88 25.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.559 1.162 . . . . 0.0 108.245 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.9 t -75.59 -177.59 3.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 109.988 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 36.5 m -61.24 -51.29 69.59 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.491 1.119 . . . . 0.0 109.974 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.1 tp -53.37 -61.21 2.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.461 HG12 ' CD1' ' A' ' 124' ' ' LEU . 18.4 t -54.41 -56.52 9.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -43.97 -37.45 2.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.2 p -75.99 -38.75 57.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.976 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 67' ' ' VAL . 20.2 mt -59.88 -54.57 44.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.558 ' CE1' ' CD1' ' A' ' 117' ' ' TRP . 2.0 t60 -60.28 -38.82 84.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.556 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -50.31 -35.71 28.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.576 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -74.07 -63.65 1.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.364 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -47.96 -28.21 2.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 110.383 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.513 ' CD1' ' CD1' ' A' ' 79' ' ' ILE . 0.4 OUTLIER -79.91 -49.01 12.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -52.05 -46.8 65.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.395 1.059 . . . . 0.0 109.277 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.27 -33.57 75.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.125 . . . . 0.0 110.046 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.466 ' HB3' ' CD1' ' A' ' 116' ' ' LEU . 4.2 tp -56.74 -56.59 19.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.404 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.513 ' CD1' ' CD1' ' A' ' 75' ' ' LEU . 2.3 mp -53.19 -46.69 56.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.473 ' HA ' ' CG ' ' A' ' 83' ' ' GLU . 33.4 t -47.93 -31.74 5.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.95 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -72.03 -50.4 28.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.344 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.462 ' CB ' ' CD1' ' A' ' 87' ' ' ILE . . . -58.08 -60.13 4.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.518 ' HB3' ' CZ ' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -51.45 -43.36 62.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.249 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.3 m -57.22 -44.84 84.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.326 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.79 -0.18 49.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.576 1.172 . . . . 0.0 110.315 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 55.52 81.7 0.06 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.485 1.115 . . . . 0.0 110.97 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.476 HG23 ' CD1' ' A' ' 109' ' ' LEU . 3.6 mt -40.26 140.24 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.763 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.452 ' N ' HG21 ' A' ' 87' ' ' ILE . 1.6 t -38.09 -30.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 110.348 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 87' ' ' ILE . . . -142.63 58.07 0.55 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.475 1.109 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.518 ' CZ ' ' HB3' ' A' ' 83' ' ' GLU . 23.0 t80 -79.41 174.5 11.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 0.793 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.416 ' N ' ' CG ' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -160.18 115.3 1.45 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -35.44 3.16 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.536 1.809 . . . . 0.0 110.992 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.507 ' C ' ' CD1' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -55.34 -22.04 17.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.117 . . . . 0.0 109.288 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.475 ' CB ' ' HG3' ' A' ' 100' ' ' GLN . . . -101.38 54.33 0.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.467 ' C ' ' O ' ' A' ' 94' ' ' ALA . . . -31.88 -55.29 0.38 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.499 1.124 . . . . 0.0 111.045 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.415 ' CD ' ' N ' ' A' ' 95' ' ' GLY . 18.3 Cg_endo -75.0 85.42 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.486 1.782 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.444 HD21 ' CG1' ' A' ' 79' ' ' ILE . 6.2 tp -42.81 -41.43 3.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 109.345 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.4 ptt180 -46.93 -38.99 11.43 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.467 1.105 . . . . 0.0 110.294 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 70.1 t -73.05 -49.25 40.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.163 . . . . 0.0 109.302 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.475 ' HG3' ' CB ' ' A' ' 94' ' ' ALA . 1.3 tt0 -55.71 -20.33 14.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.254 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -102.54 15.79 28.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 109.287 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -120.88 -2.45 9.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.392 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -92.44 138.14 24.21 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 48.63 2.06 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.501 1.79 . . . . 0.0 111.046 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -140.3 -48.31 0.44 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.493 1.121 . . . . 0.0 110.251 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -80.96 90.68 5.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -89.87 -29.34 18.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.132 . . . . 0.0 110.276 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -68.19 -58.99 6.69 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.476 ' CD1' HG23 ' A' ' 87' ' ' ILE . 0.5 OUTLIER -65.88 -12.46 54.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 0.777 . . . . 0.0 109.26 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -72.36 -56.78 4.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 110.228 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -46.86 85.8 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 113' ' ' TYR . 0.0 OUTLIER -52.17 -33.99 42.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 110.264 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.518 ' CZ ' ' HB2' ' A' ' 52' ' ' ALA . 3.5 t80 -68.96 -45.31 71.04 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.547 1.154 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -50.22 -43.6 52.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.297 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -77.16 -45.81 25.48 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.446 1.091 . . . . 0.0 110.319 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -53.22 -35.48 59.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.274 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.639 ' CZ2' ' CE1' ' A' ' 121' ' ' PHE . 32.0 t90 -68.68 -63.77 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 107.964 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.459 ' CD1' HG11 ' A' ' 45' ' ' VAL . 97.8 mt -45.41 -28.53 0.89 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.113 . . . . 0.0 109.368 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.25 -66.36 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -56.74 -25.2 54.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.639 ' CE1' ' CZ2' ' A' ' 117' ' ' TRP . 0.4 OUTLIER -71.71 -47.93 50.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.555 1.159 . . . . 0.0 111.009 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -80.19 -0.2 35.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 109.253 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -88.89 1.51 55.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.604 1.19 . . . . 0.0 109.23 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.461 ' CD1' HG12 ' A' ' 67' ' ' VAL . 53.8 mt -74.75 156.53 86.52 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.102 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -6.36 17.98 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.438 1.757 . . . . 0.0 110.981 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -140.52 58.04 0.59 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.548 1.155 . . . . 0.0 110.937 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 22.7 t -148.57 -53.75 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 0.728 . . . . 0.0 110.03 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -161.13 120.11 2.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.243 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.68 146.22 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -176.97 91.09 0.25 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 112.04 3.47 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.461 1.769 . . . . 0.0 111.045 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.59 -24.52 56.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.978 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.559 ' CD1' HD23 ' A' ' 155' ' ' LEU . 43.0 p-90 -76.49 -21.59 55.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 108.005 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.6 -9.01 47.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 57.0 p -125.78 30.35 5.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.96 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 18.0 mt -123.39 120.63 60.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.573 1.171 . . . . 0.0 109.235 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.455 HD21 ' CB ' ' A' ' 176' ' ' ASN . 0.3 OUTLIER -137.17 149.12 47.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 109.242 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . 0.608 ' OE1' ' CD2' ' A' ' 144' ' ' TYR . 0.8 OUTLIER -73.67 127.22 32.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -92.28 134.68 12.34 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.465 1.103 . . . . 0.0 110.943 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.511 ' O ' ' CH2' ' A' ' 205' ' ' TRP . 0.0 OUTLIER -49.51 -42.78 44.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 0.754 . . . . 0.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -100.61 38.8 1.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -128.54 161.26 58.11 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 110.258 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 104.48 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.562 1.822 . . . . 0.0 111.043 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . 0.608 ' CD2' ' OE1' ' A' ' 138' ' ' GLN . 0.5 OUTLIER -55.75 -62.99 1.32 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 111.032 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . 0.419 ' CD2' ' C ' ' A' ' 145' ' ' HIS . 1.2 t-160 -45.26 -44.95 11.7 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.57 1.169 . . . . 0.0 109.64 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -63.32 -50.88 68.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 109.249 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -53.38 -38.75 63.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 110.928 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.465 ' CG1' ' CD2' ' A' ' 195' ' ' LEU . 47.0 t -64.6 -58.46 7.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -48.13 -41.69 27.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 153' ' ' ILE . 0.4 OUTLIER -68.42 -58.64 4.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.277 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.502 ' O ' ' CD1' ' A' ' 155' ' ' LEU . 0.2 OUTLIER -39.37 -32.76 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . 0.413 ' N ' ' C ' ' A' ' 150' ' ' ARG . 2.5 t30 -72.79 -53.99 10.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . 0.436 ' N ' ' O ' ' A' ' 150' ' ' ARG . 4.2 mt -59.74 -64.72 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.345 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -42.18 -37.19 1.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 0.559 HD23 ' CD1' ' A' ' 133' ' ' TRP . 4.1 mt -64.2 -65.58 0.66 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -49.06 -23.48 1.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.284 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.39 -25.99 68.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -148.52 43.34 0.81 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.483 1.115 . . . . 0.0 111.029 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -126.05 103.67 26.67 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.497 0.763 . . . . 0.0 109.348 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 141.31 26.29 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.483 1.781 . . . . 0.0 110.993 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -50.29 -28.11 7.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.363 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -60.95 -22.82 60.7 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.457 1.098 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -118.71 141.84 30.66 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.513 0.772 . . . . 0.0 110.409 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 143.8 29.68 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.468 1.773 . . . . 0.0 110.975 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . 0.43 ' CD ' ' C ' ' A' ' 165' ' ' LYS . 0.1 OUTLIER -117.44 -37.38 3.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . 0.51 ' N ' ' CD ' ' A' ' 167' ' ' PRO . 0.3 OUTLIER -41.54 -51.5 8.82 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.345 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' PRO . . . . . 0.51 ' CD ' ' N ' ' A' ' 166' ' ' ASP . 18.3 Cg_endo -75.03 -48.58 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.543 1.812 . . . . 0.0 110.995 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . 0.452 HG23 ' CD1' ' A' ' 172' ' ' LEU . 0.0 OUTLIER -50.52 -33.38 11.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . 0.44 ' CD1' ' HB3' ' A' ' 151' ' ' LEU . 34.5 tp -62.24 -66.51 0.53 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 24.2 ptt85 -54.83 -36.15 64.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.347 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 171' ' ' SER . . . . . 0.4 ' O ' ' OG ' ' A' ' 175' ' ' SER . 0.2 OUTLIER -69.79 -23.65 63.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.999 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.498 ' CD1' HD21 ' A' ' 155' ' ' LEU . 3.9 mt -84.29 -48.91 9.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . 0.44 ' O ' ' CB ' ' A' ' 177' ' ' ALA . . . -63.68 -13.14 40.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -103.7 -51.41 3.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 175' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 171' ' ' SER . 93.7 p -66.05 -36.3 82.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.018 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . 0.455 ' CB ' HD21 ' A' ' 137' ' ' LEU . 69.5 m-20 -113.15 61.09 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.359 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . 0.44 ' CB ' ' O ' ' A' ' 173' ' ' ALA . . . -129.23 138.69 51.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . 0.442 ' OD1' ' NE2' ' A' ' 138' ' ' GLN . 2.6 p-10 -52.14 -176.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.35 -55.32 5.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -52.7 -27.84 19.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.162 . . . . 0.0 110.291 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 181' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 184' ' ' LEU . 9.0 t -77.85 -65.53 0.96 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.55 1.156 . . . . 0.0 108.273 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . 0.455 ' O ' ' CG ' ' A' ' 186' ' ' GLN . 0.0 OUTLIER -47.79 -35.3 9.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.101 . . . . 0.0 110.254 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 183' ' ' LYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 187' ' ' ALA . 6.4 ttpt -70.53 -33.55 71.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.373 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 181' ' ' CYS . 4.2 tt -68.04 -56.42 8.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 9.7 mt -53.87 -58.16 8.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . 0.476 ' OE1' ' CG2' ' A' ' 191' ' ' THR . 4.5 mm100 -53.41 -53.41 51.59 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.479 1.112 . . . . 0.0 110.341 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 187' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 183' ' ' LYS . . . -53.04 -46.96 68.7 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.633 1.208 . . . . 0.0 109.309 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . 0.439 ' HG3' ' CD2' ' A' ' 184' ' ' LEU . 0.0 OUTLIER -59.87 -28.12 67.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 110.338 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 71.62 54.41 8.62 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.472 1.107 . . . . 0.0 111.032 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . 0.506 ' CG ' ' O ' ' A' ' 190' ' ' HIS . 2.2 p80 -153.89 36.0 0.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 0.764 . . . . 0.0 109.584 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 191' ' ' THR . . . . . 0.476 ' CG2' ' OE1' ' A' ' 186' ' ' GLN . 1.3 p -61.58 -49.98 74.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 110.432 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -83.08 58.41 4.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 193' ' ' SER . . . . . 0.535 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER -136.32 179.99 1.22 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.003 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . 0.535 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.1 Cg_endo -75.06 -174.96 2.14 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.494 1.786 . . . . 0.0 110.982 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . 0.465 ' CD2' ' CG1' ' A' ' 148' ' ' VAL . 14.5 tp -79.62 -40.61 28.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.416 1.072 . . . . 0.0 109.373 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -45.68 -43.92 11.83 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.467 1.105 . . . . 0.0 110.988 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . 0.492 ' HB3' ' CE1' ' A' ' 190' ' ' HIS . 5.8 t0 -66.38 -32.75 74.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 0.8 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 198' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 195' ' ' LEU . 42.1 ttm -61.36 -45.52 94.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.96 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 199' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -67.23 -23.59 65.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.346 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 200' ' ' ARG . . . . . 0.408 ' O ' ' CD ' ' A' ' 203' ' ' GLN . 7.3 mtp180 -84.02 -12.92 54.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.344 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -96.45 -43.21 7.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 202' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 205' ' ' TRP . 14.0 p -77.54 -15.56 59.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 108.385 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 203' ' ' GLN . . . . . 0.448 ' HG3' ' N ' ' A' ' 204' ' ' THR . 15.6 pt20 -41.72 -46.65 3.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.266 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 204' ' ' THR . . . . . 0.448 ' N ' ' HG3' ' A' ' 203' ' ' GLN . 0.0 OUTLIER -71.73 -33.43 68.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.385 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 205' ' ' TRP . . . . . 0.511 ' CH2' ' O ' ' A' ' 140' ' ' LEU . 1.9 t90 -71.26 61.07 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 206' ' ' THR . . . . . 0.418 ' N ' ' O ' ' A' ' 204' ' ' THR . 11.6 t -146.37 118.6 4.96 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.401 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 77.72 3.05 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.55 1.816 . . . . 0.0 110.974 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 208' ' ' LYS . . . . . . . . . . . . . 3.7 mttp -176.4 103.57 0.06 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.572 1.17 . . . . 0.0 109.348 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -179.55 96.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.77 67.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.596 1.185 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 33.1 p -133.14 128.12 35.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.556 1.16 . . . . 0.0 110.382 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -150.75 -66.14 0.19 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 213' ' ' VAL . . . . . . . . . . . . . 62.7 t 48.64 92.49 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 214' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 34.5 m170 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -152.66 149.49 28.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.552 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -126.52 175.05 8.2 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.451 1.094 . . . . 0.0 109.571 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -155.75 174.81 14.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.584 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -162.22 174.77 12.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.416 1.072 . . . . 0.0 109.607 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.0 p -170.28 -57.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.115 . . . . 0.0 110.003 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.8 m 62.71 106.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 110.008 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -86.8 -156.42 28.99 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.491 1.12 . . . . 0.0 110.968 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -153.11 175.3 13.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 0.782 . . . . 0.0 109.576 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.2 mm -115.72 131.6 67.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -85.99 164.77 17.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 57.59 157.5 0.02 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.528 1.142 . . . . 0.0 110.986 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.53 85.87 1.73 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 0.734 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.6 m170 -112.94 66.17 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.579 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.528 ' HE2' ' CE1' ' A' ' 48' ' ' PHE . 2.8 ttt 53.22 102.02 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.484 1.115 . . . . 0.0 110.967 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' A' ' 19' ' ' ASP . 4.3 pm0 -81.17 148.26 29.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.9 tpt -46.29 -30.71 2.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 0.0 110.94 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.41 -37.21 82.64 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.567 1.167 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 16' ' ' GLN . 54.4 m-20 -63.14 -54.88 30.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.5 ' HB3' ' CE2' ' A' ' 61' ' ' TYR . 8.4 mt -56.7 -33.3 66.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -64.66 -53.1 52.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.03 -41.32 87.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.237 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 61.4 mt -56.2 -53.89 34.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.356 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.0 ttpp -54.01 -23.24 12.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.593 1.183 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -78.87 -69.96 0.53 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.608 1.193 . . . . 0.0 110.225 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.45 ' CD ' ' CG2' ' A' ' 40' ' ' THR . 2.7 pt-20 -48.69 -23.17 0.94 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.503 1.127 . . . . 0.0 110.249 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.9 t -79.83 -52.83 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.566 1.166 . . . . 0.0 109.352 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.28 -31.18 8.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.956 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -63.11 -45.59 91.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 110.289 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.436 ' HB2' ' CB ' ' A' ' 36' ' ' GLN . . . -53.33 174.76 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.93 162.73 23.02 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 81.54 2.2 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.488 1.783 . . . . 0.0 110.934 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 106.93 61.47 0.58 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.545 1.153 . . . . 0.0 110.967 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.69 161.09 51.17 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.403 0.708 . . . . 0.0 110.037 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 48.19 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.563 1.823 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.436 ' CB ' ' HB2' ' A' ' 30' ' ' ALA . 63.2 mm-40 -121.58 -64.77 1.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.423 ' CE1' HD12 ' A' ' 41' ' ' ILE . 2.6 t80 -47.85 -48.72 30.82 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.507 1.13 . . . . 0.0 110.934 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.409 ' CE ' HD23 ' A' ' 118' ' ' LEU . 10.6 tpt -55.1 -48.44 73.57 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.437 1.085 . . . . 0.0 110.972 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -55.06 -45.5 75.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 110.272 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.45 ' CG2' ' CD ' ' A' ' 26' ' ' GLU . 1.2 m -54.02 -32.29 53.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.361 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.472 HG21 ' CD2' ' A' ' 118' ' ' LEU . 3.1 mm -66.53 -56.18 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.413 ' CD ' HD11 ' A' ' 118' ' ' LEU . 0.1 OUTLIER -55.76 -34.85 65.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.327 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.22 -51.58 67.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.402 1.063 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.88 -36.57 83.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.4 t -67.85 -30.87 49.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -88.64 -6.64 57.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -84.4 -74.73 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.322 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.528 ' CE1' ' HE2' ' A' ' 15' ' ' MET . 1.2 p90 -114.94 -18.95 11.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 68.85 97.87 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.42 1.075 . . . . 0.0 109.395 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 123.66 8.06 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.499 1.789 . . . . 0.0 111.014 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 42.3 p -55.27 -169.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.396 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.42 -44.64 74.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.431 ' HD3' ' N ' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -60.21 -40.91 91.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.353 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.431 ' N ' ' HD3' ' A' ' 53' ' ' LYS . 87.0 m-20 -65.22 -36.43 84.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.354 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.573 HD22 ' CZ3' ' A' ' 117' ' ' TRP . 22.1 mt -69.43 -46.32 67.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -51.25 -50.35 59.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.589 1.18 . . . . 0.0 110.339 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.418 ' C ' ' N ' ' A' ' 59' ' ' LEU . 0.3 OUTLIER -70.56 -55.18 9.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 20.1 tp -45.42 -26.04 0.5 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.494 HD22 ' CD2' ' A' ' 71' ' ' HIS . 30.6 tp -75.89 -53.04 9.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -87.58 22.36 2.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 110.32 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.5 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 28.1 t80 -120.58 -34.97 3.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 110.986 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.1 mt -95.45 -63.16 1.19 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.333 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.42 ' SG ' ' O ' ' A' ' 59' ' ' LEU . 16.5 p -86.46 170.75 11.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.564 1.165 . . . . 0.0 108.355 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.5 m -81.54 -177.94 6.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.018 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 32.7 t -66.54 -37.7 85.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 110.017 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.6 tp -51.62 -68.18 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.4 t -52.05 -52.33 24.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.4 1.063 . . . . 0.0 109.281 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -44.32 -41.41 6.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.3 t -71.01 -41.33 71.04 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.461 1.1 . . . . 0.0 109.947 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 52.6 mt -58.39 -50.03 75.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.229 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.494 ' CD2' HD22 ' A' ' 59' ' ' LEU . 0.9 OUTLIER -61.59 -42.83 99.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.598 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.31 -23.85 25.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.56 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -80.02 -71.23 0.47 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.352 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -49.03 -41.09 33.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.337 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.483 HD11 ' CD1' ' A' ' 79' ' ' ILE . 1.3 tm? -62.89 -52.15 64.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -44.93 -35.54 2.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.16 . . . . 0.0 109.317 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.7 t -66.49 -45.32 80.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 110.024 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.511 ' HB3' ' CD1' ' A' ' 116' ' ' LEU . 11.0 mp -49.91 -51.77 38.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.483 ' CD1' HD11 ' A' ' 75' ' ' LEU . 1.2 mp -52.2 -54.76 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.086 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.408 ' O ' ' CB ' ' A' ' 84' ' ' THR . 0.2 OUTLIER -41.6 -31.9 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.0 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -76.61 -46.42 26.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.291 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 79' ' ' ILE . . . -62.24 -66.05 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -46.07 -38.28 7.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.337 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.408 ' CB ' ' O ' ' A' ' 80' ' ' SER . 1.4 m -62.55 -48.72 78.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.431 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.94 -3.9 28.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 84.02 -11.75 56.23 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.502 1.126 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.53 HD12 ' CG ' ' A' ' 90' ' ' TYR . 66.1 mt 63.9 157.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.552 0.795 . . . . 0.0 109.256 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.452 ' N ' HG22 ' A' ' 87' ' ' ILE . 1.2 t -42.32 -47.93 4.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 110.372 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -169.97 53.73 0.2 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.432 1.082 . . . . 0.0 111.034 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.53 ' CG ' HD12 ' A' ' 87' ' ' ILE . 30.4 t80 -78.42 154.43 30.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 0.786 . . . . 0.0 110.982 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.402 ' ND2' HD13 ' A' ' 93' ' ' LEU . 0.9 OUTLIER -112.87 95.53 34.09 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -26.89 10.54 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.492 1.786 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.504 ' CD2' ' C ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -57.66 -34.05 68.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.437 ' N ' ' CD1' ' A' ' 93' ' ' LEU . . . -63.27 -64.48 0.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.526 ' N ' ' CD ' ' A' ' 96' ' ' PRO . . . 125.41 -48.99 0.93 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.48 1.112 . . . . 0.0 111.012 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.526 ' CD ' ' N ' ' A' ' 95' ' ' GLY . 18.5 Cg_endo -74.98 158.74 42.1 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.506 1.793 . . . . 0.0 110.982 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 47.6 tp -120.04 -52.46 2.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.248 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.96 -25.18 27.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.221 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 84.0 t -65.83 -43.66 93.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.423 ' OE1' ' N ' ' A' ' 100' ' ' GLN . 23.5 mp0 -74.99 -9.98 59.04 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.494 1.121 . . . . 0.0 110.351 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -114.89 15.21 17.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 56.3 m-20 -121.83 -0.75 9.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.449 1.093 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.411 ' ND2' ' HA ' ' A' ' 100' ' ' GLN . 10.8 p30 -105.23 124.22 37.19 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.358 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 48.92 2.11 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.437 1.756 . . . . 0.0 110.961 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -121.78 -56.71 1.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -98.11 95.83 7.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 110.358 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -75.2 -7.68 54.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.257 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -59.95 -57.97 16.58 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.53 1.144 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.3 mt -81.19 -31.58 33.92 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 0.767 . . . . 0.0 109.338 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.2 ttp85 -56.42 -50.6 71.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -70.37 -44.15 68.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 110.277 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -54.29 -44.83 72.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.236 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -61.78 -43.64 98.45 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.563 1.165 . . . . 0.0 111.039 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.56 -44.37 62.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.271 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 118' ' ' LEU . 0.8 OUTLIER -78.01 -62.59 1.62 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 0.0 110.36 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.511 ' CD1' ' HB3' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -40.4 -33.5 0.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.366 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.573 ' CZ3' HD22 ' A' ' 55' ' ' LEU . 65.7 t90 -72.31 -55.58 6.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 107.975 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.472 ' CD2' HG21 ' A' ' 41' ' ' ILE . 52.6 mt -51.0 -31.92 19.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.406 1.066 . . . . 0.0 109.238 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.69 -60.87 3.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.243 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.456 ' CB ' HD23 ' A' ' 75' ' ' LEU . . . -56.52 -29.37 61.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -76.58 -18.3 58.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.153 . . . . 0.0 111.088 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -109.14 3.95 22.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.28 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -95.8 -1.87 48.76 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.258 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 83.6 mt -69.02 147.72 97.75 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.368 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -7.48 19.22 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.467 1.772 . . . . 0.0 111.006 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -106.13 -52.32 0.79 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.47 1.106 . . . . 0.0 111.05 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 46.7 t -40.62 -60.57 1.11 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.447 0.733 . . . . 0.0 109.992 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -104.82 118.38 36.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -173.58 176.99 2.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.4 t70 177.15 96.97 0.12 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 160.73 39.92 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.5 1.789 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.41 -32.18 64.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.976 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.564 ' CD1' HD23 ' A' ' 155' ' ' LEU . 18.1 p-90 -74.63 -10.58 59.68 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.18 -11.06 47.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 109.238 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 26.4 t -133.59 33.51 3.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.005 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.401 ' CD1' ' HA ' ' A' ' 133' ' ' TRP . 60.7 mt -118.42 118.17 57.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.573 1.171 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.23 166.28 23.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . 0.548 ' HG3' ' CD1' ' A' ' 144' ' ' TYR . 10.7 tm0? -87.8 113.27 23.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -70.46 154.13 52.21 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.411 HD23 ' ND2' ' A' ' 178' ' ' ASN . 2.0 tm? -61.82 -39.48 91.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 0.763 . . . . 0.0 109.355 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -112.02 40.19 2.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 110.283 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -125.29 158.04 65.36 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.32 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 96.19 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.502 1.79 . . . . 0.0 110.972 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . 0.548 ' CD1' ' HG3' ' A' ' 138' ' ' GLN . 4.1 t80 -60.63 -44.39 96.41 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.444 1.09 . . . . 0.0 111.002 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . 0.477 ' CD2' ' C ' ' A' ' 145' ' ' HIS . 0.4 OUTLIER -55.08 -57.82 10.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 109.501 -179.915 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -56.01 -47.42 77.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.58 -43.56 62.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 111.062 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.405 ' CG2' ' O ' ' A' ' 144' ' ' TYR . 47.8 t -57.25 -44.31 83.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.616 1.197 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -56.79 -58.34 8.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.327 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.88 -47.87 79.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.36 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.462 HD22 ' CB ' ' A' ' 172' ' ' LEU . 1.1 mt -43.71 -42.31 5.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -63.63 -47.98 79.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 4.4 mt -62.64 -69.36 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.446 1.091 . . . . 0.0 109.335 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -41.31 -31.71 0.25 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 0.564 HD23 ' CD1' ' A' ' 133' ' ' TRP . 7.1 mt -69.69 -60.77 2.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -50.15 -22.65 1.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -75.07 -29.81 60.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 155' ' ' LEU . . . -129.76 41.09 1.59 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.538 1.148 . . . . 0.0 111.05 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.457 ' CD2' ' O ' ' A' ' 158' ' ' GLY . 0.6 OUTLIER -133.49 119.73 15.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.428 0.722 . . . . 0.0 109.295 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -170.38 0.77 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.593 1.838 . . . . 0.0 111.059 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -91.0 -30.45 16.8 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.459 1.099 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -99.15 48.92 1.26 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.536 1.147 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' THR . . . . . 0.424 ' HA ' ' HD3' ' A' ' 164' ' ' PRO . 1.3 m -149.23 140.23 14.05 Favored Pre-proline 0 C--N 1.324 -0.541 0 O-C-N 124.489 0.758 . . . . 0.0 110.427 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 163' ' ' THR . 18.2 Cg_endo -75.04 131.69 14.53 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.67 -39.97 2.7 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.575 1.172 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . 0.521 ' CB ' ' HD3' ' A' ' 167' ' ' PRO . 0.4 OUTLIER -40.99 -53.64 6.07 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.259 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' PRO . . . . . 0.521 ' HD3' ' CB ' ' A' ' 166' ' ' ASP . 18.2 Cg_endo -74.97 -45.9 0.26 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.584 1.833 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . 0.432 ' CG2' HD21 ' A' ' 155' ' ' LEU . 0.0 OUTLIER -49.61 -52.83 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . 0.466 HD12 ' CD1' ' A' ' 155' ' ' LEU . 47.9 tp -52.36 -54.24 34.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . 0.471 ' HG3' ' CD1' ' A' ' 195' ' ' LEU . 0.6 OUTLIER -61.96 -14.62 36.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.3 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 171' ' ' SER . . . . . 0.52 ' O ' ' CB ' ' A' ' 175' ' ' SER . 0.3 OUTLIER -83.46 -35.24 25.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.58 1.175 . . . . 0.0 110.013 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.462 ' CB ' HD22 ' A' ' 151' ' ' LEU . 1.5 mt -84.51 -16.02 43.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -94.22 -29.35 15.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 174' ' ' TYR . . . . . 0.415 ' CD2' HD11 ' A' ' 185' ' ' LEU . 12.0 t80 -110.54 -64.49 1.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.986 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 175' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 171' ' ' SER . 0.1 OUTLIER -52.7 -20.74 3.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 110.029 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -126.06 60.59 1.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -132.53 143.14 49.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . 0.411 ' ND2' HD23 ' A' ' 140' ' ' LEU . 0.8 OUTLIER -54.15 -172.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.087 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -72.82 -68.52 0.48 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.09 -34.91 1.15 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.338 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 181' ' ' CYS . . . . . 0.443 ' SG ' ' CE2' ' A' ' 144' ' ' TYR . 15.6 t -65.92 -67.03 0.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 108.328 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . 0.45 ' O ' ' NE2' ' A' ' 186' ' ' GLN . 1.4 tt0 -53.28 -41.34 65.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.338 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.69 -37.13 85.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.252 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . 0.531 HD12 ' CG ' ' A' ' 205' ' ' TRP . 3.6 tt -61.09 -60.86 3.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.59 1.181 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . 0.443 ' CD2' ' SD ' ' A' ' 198' ' ' MET . 6.5 mt -42.79 -42.2 3.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . 0.45 ' NE2' ' O ' ' A' ' 182' ' ' GLN . 0.8 OUTLIER -67.37 -59.55 3.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.273 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -50.2 -39.5 44.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . 0.412 ' HA ' ' NH1' ' A' ' 188' ' ' ARG . 0.0 OUTLIER -54.46 -53.66 51.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.219 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 114.12 34.33 1.66 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.498 1.123 . . . . 0.0 110.984 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . 0.488 ' ND1' ' O ' ' A' ' 190' ' ' HIS . 0.0 OUTLIER -167.54 118.3 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 0.798 . . . . 0.0 109.56 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 1.9 p -120.97 -52.04 2.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 110.386 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -88.6 45.94 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 193' ' ' SER . . . . . 0.514 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER -109.44 178.93 0.92 Allowed Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.46 1.1 . . . . 0.0 110.03 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . 0.514 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.1 Cg_endo -75.06 154.75 42.43 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.581 1.832 . . . . 0.0 110.935 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . 0.477 ' HG ' ' CD2' ' A' ' 199' ' ' LEU . 3.3 tp -50.58 -48.3 57.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.538 1.149 . . . . 0.0 109.357 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -43.51 -35.81 3.02 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.525 1.141 . . . . 0.0 111.021 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.19 -38.44 27.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 0.79 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 198' ' ' MET . . . . . 0.443 ' SD ' ' CD2' ' A' ' 185' ' ' LEU . 17.1 mmm -61.22 -39.17 89.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 110.96 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 199' ' ' LEU . . . . . 0.477 ' CD2' ' HG ' ' A' ' 195' ' ' LEU . 3.5 mm? -75.28 -30.14 60.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.404 1.065 . . . . 0.0 109.352 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 33.8 ttm180 -79.77 -6.54 57.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -95.99 -33.77 12.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.137 . . . . 0.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 202' ' ' CYS . . . . . . . . . . . . . 29.7 p -90.76 -16.78 27.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.165 . . . . 0.0 108.323 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -48.42 -23.19 0.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.427 1.079 . . . . 0.0 110.325 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 204' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 205' ' ' TRP . 0.1 OUTLIER -116.91 -48.96 2.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.457 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 205' ' ' TRP . . . . . 0.531 ' CG ' HD12 ' A' ' 184' ' ' LEU . 4.7 t90 39.73 58.04 2.13 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 206' ' ' THR . . . . . . . . . . . . . 6.4 t -174.83 143.0 0.77 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.434 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 167.2 27.51 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.386 1.73 . . . . 0.0 111.028 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 208' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.98 74.1 1.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.347 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.63 168.71 9.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.57 122.85 48.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 22.8 m -57.45 132.83 54.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.41 1.069 . . . . 0.0 110.416 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.39 158.1 16.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 213' ' ' VAL . . . . . . . . . . . . . 7.1 p -130.89 124.96 57.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.533 1.146 . . . . 0.0 109.35 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 214' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -137.5 156.86 47.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.575 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.4 p-80 -87.95 129.03 35.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 109.623 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 19.6 m-70 -98.57 168.98 9.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.152 . . . . 0.0 109.603 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -66.32 132.46 48.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.63 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 76.1 p -108.1 146.29 32.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.052 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 73.5 m -131.59 123.25 27.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.009 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -53.74 -95.89 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.518 1.136 . . . . 0.0 111.024 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.1 t-160 -134.35 102.28 5.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 0.753 . . . . 0.0 109.591 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 68.8 mt -128.87 67.33 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 60.41 121.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 110.276 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -66.62 -154.05 0.28 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.472 1.107 . . . . 0.0 111.026 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -177.93 46.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 0.766 . . . . 0.0 110.306 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.3 m170 47.84 49.47 16.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.55 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.579 ' SD ' ' CE1' ' A' ' 48' ' ' PHE . 1.8 tpt 58.39 95.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -96.01 170.37 9.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 110.33 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.8 tpt -54.12 -39.32 66.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 111.014 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.7 ttpt -59.34 -45.35 91.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -57.18 -55.94 28.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.457 ' CD2' ' HE1' ' A' ' 15' ' ' MET . 26.0 mt -51.67 -40.12 59.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.245 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -60.99 -54.92 39.05 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.47 1.106 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.34 -39.83 64.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.454 ' CD1' ' HE1' ' A' ' 15' ' ' MET . 66.9 mt -57.37 -62.46 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.4 tttm -42.07 -32.33 0.45 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -72.38 -72.3 0.24 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 110.327 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.423 ' CG ' ' HA ' ' A' ' 23' ' ' ILE . 8.8 pt-20 -45.5 -25.62 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 110.325 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.1 t -76.82 -46.86 29.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.575 1.172 . . . . 0.0 109.334 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.5 t -46.86 -39.75 12.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.933 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -59.66 -38.39 81.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.472 ' CB ' ' HB3' ' A' ' 36' ' ' GLN . . . -68.96 177.37 2.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -129.22 162.04 54.8 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 63.27 6.03 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.452 1.764 . . . . 0.0 110.97 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 162.87 -33.04 0.3 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.17 142.23 92.54 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.464 0.743 . . . . 0.0 110.005 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 50.96 2.67 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.497 1.788 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.472 ' HB3' ' CB ' ' A' ' 30' ' ' ALA . 13.2 tp60 -120.89 -38.91 2.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.406 ' CE1' HD11 ' A' ' 41' ' ' ILE . 2.7 t80 -64.47 -64.72 0.81 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.449 1.093 . . . . 0.0 110.973 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.478 ' CE ' HD22 ' A' ' 118' ' ' LEU . 10.1 tpt -49.13 -46.4 44.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.102 . . . . 0.0 110.993 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -52.15 -43.71 64.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.108 . . . . 0.0 110.295 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.42 ' CG2' ' HG3' ' A' ' 26' ' ' GLU . 1.2 m -61.6 -27.17 68.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.357 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.437 HG13 ' CE1' ' A' ' 121' ' ' PHE . 5.7 mm -74.77 -33.07 29.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.9 mmm-85 -79.23 -25.3 42.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.375 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.25 -38.62 35.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.426 1.079 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.81 -41.04 79.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.426 1.079 . . . . 0.0 109.314 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.86 -33.59 60.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.425 1.078 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -89.04 -0.45 57.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.592 1.183 . . . . 0.0 110.312 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -89.87 -70.33 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 0.0 110.334 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.579 ' CE1' ' SD ' ' A' ' 15' ' ' MET . 3.9 p90 -114.52 -23.8 9.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.603 1.189 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 72.61 93.21 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 131.11 13.89 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.533 1.807 . . . . 0.0 111.048 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.444 ' N ' ' OD2' ' A' ' 54' ' ' ASP . 7.2 p -57.32 -168.23 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 110.48 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.01 -47.46 51.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.53 -31.38 71.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.113 . . . . 0.0 109.252 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.444 ' OD2' ' N ' ' A' ' 51' ' ' THR . 93.8 m-20 -66.96 -41.77 86.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.502 HD12 ' CG ' ' A' ' 117' ' ' TRP . 37.4 mt -61.65 -40.72 95.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.37 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.436 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 4.3 tp60 -57.23 -53.19 60.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.415 ' N ' ' HG3' ' A' ' 56' ' ' GLN . 66.6 t0 -64.51 -38.49 91.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.532 HD21 ' CH2' ' A' ' 117' ' ' TRP . 16.4 tp -64.57 -24.39 67.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.255 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.468 HD12 ' CB ' ' A' ' 63' ' ' CYS . 19.8 tp -70.98 -54.45 11.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.224 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -6.92 32.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 110.305 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -81.5 -54.21 5.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.972 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.8 mt -106.83 -61.56 1.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.468 ' CB ' HD12 ' A' ' 59' ' ' LEU . 4.0 m -52.23 117.0 2.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 108.28 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.43 ' O ' ' CB ' ' A' ' 68' ' ' ALA . 0.5 OUTLIER -57.46 -179.82 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 110.003 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.46 -50.96 67.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 109.995 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.7 tp -64.74 -55.89 17.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.411 HG12 ' CD1' ' A' ' 124' ' ' LEU . 2.4 t -51.57 -47.32 37.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 64' ' ' SER . . . -54.46 -39.59 67.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.352 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.0 m -63.16 -60.33 3.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.998 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.6 mt -51.08 -43.04 60.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.596 1.185 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.561 ' CE1' ' HB1' ' A' ' 120' ' ' ALA . 8.7 t-80 -60.49 -39.0 86.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.614 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -25.28 68.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.552 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -74.41 -54.68 7.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.271 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -53.72 -22.38 9.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.427 1.08 . . . . 0.0 110.27 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.482 ' CD1' ' CD2' ' A' ' 116' ' ' LEU . 0.2 OUTLIER -82.09 -60.28 2.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.376 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -40.51 -37.08 0.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.02 -45.53 26.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.008 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.495 ' HB3' ' CD1' ' A' ' 116' ' ' LEU . 1.3 mp -56.37 -59.91 4.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.363 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.436 HG13 ' CD1' ' A' ' 116' ' ' LEU . 1.4 mt -48.26 -50.58 11.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.415 1.072 . . . . 0.0 109.33 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.419 ' HA ' ' CG ' ' A' ' 83' ' ' GLU . 3.9 t -46.75 -32.14 3.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.96 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -69.55 -42.68 74.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.439 1.087 . . . . 0.0 110.271 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.0 -64.65 0.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.264 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.419 ' CG ' ' HA ' ' A' ' 80' ' ' SER . 0.0 OUTLIER -48.3 -27.37 2.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.341 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.2 m -69.39 -40.96 77.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.429 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -83.45 0.1 47.75 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.5 1.125 . . . . 0.0 110.267 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 84.58 -8.15 70.05 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.528 HD12 ' CG ' ' A' ' 90' ' ' TYR . 84.7 mt 60.14 152.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 109.34 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -43.1 -65.96 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.373 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -146.25 57.46 0.51 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.528 ' CG ' HD12 ' A' ' 87' ' ' ILE . 58.2 t80 -79.35 158.91 27.35 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.505 0.768 . . . . 0.0 111.027 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -113.72 93.91 30.58 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.26 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.404 ' HA ' ' CE2' ' A' ' 90' ' ' TYR . 18.2 Cg_endo -75.04 -30.06 7.5 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.563 1.823 . . . . 0.0 110.963 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.525 ' CD2' ' C ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -56.71 -29.0 61.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.416 ' N ' HD11 ' A' ' 93' ' ' LEU . . . -72.67 -63.36 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.238 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.525 ' N ' ' CD ' ' A' ' 96' ' ' PRO . . . 122.21 -49.93 0.86 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.509 1.131 . . . . 0.0 110.954 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.525 ' CD ' ' N ' ' A' ' 95' ' ' GLY . 18.3 Cg_endo -75.0 163.14 35.92 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.478 1.778 . . . . 0.0 110.978 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.492 HD12 ' CE1' ' A' ' 90' ' ' TYR . 2.5 tp -121.04 -50.29 2.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -22.62 66.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.143 . . . . 0.0 110.335 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.419 HG23 ' CB ' ' A' ' 96' ' ' PRO . 61.4 t -69.87 -58.62 5.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.474 ' OE1' ' CD1' ' A' ' 90' ' ' TYR . 7.5 pt20 -70.17 -21.84 63.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.259 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -75.85 -4.41 40.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -97.55 -1.54 43.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.389 1.055 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.417 ' OD1' ' N ' ' A' ' 103' ' ' ASN . 0.7 OUTLIER -94.67 142.55 24.89 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -28.46 9.11 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.471 1.774 . . . . 0.0 111.022 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -50.72 -49.14 58.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.581 1.176 . . . . 0.0 110.316 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.4 ' O ' ' OE1' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -94.03 40.2 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 110.284 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -47.76 -23.71 0.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.332 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.04 -58.13 13.06 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.475 ' CD1' HG21 ' A' ' 87' ' ' ILE . 0.5 OUTLIER -58.55 -43.88 89.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 0.748 . . . . 0.0 109.335 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -45.34 -43.93 11.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.452 ' O ' ' CG ' ' A' ' 114' ' ' GLN . 0.5 OUTLIER -65.46 -52.58 52.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 110.379 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -45.22 -31.15 1.4 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -74.52 -41.46 60.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.493 ' HG3' ' N ' ' A' ' 115' ' ' GLN . 0.9 OUTLIER -61.04 -24.6 66.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.493 ' N ' ' HG3' ' A' ' 114' ' ' GLN . 0.0 OUTLIER -90.06 -59.05 2.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.354 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.542 ' CD2' ' N ' ' A' ' 117' ' ' TRP . 0.0 OUTLIER -52.08 -32.58 35.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.596 1.185 . . . . 0.0 109.318 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.713 ' CH2' ' CE2' ' A' ' 121' ' ' PHE . 73.8 t90 -73.34 -66.67 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 108.05 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.478 HD22 ' CE ' ' A' ' 38' ' ' MET . 21.0 mt -42.51 -34.5 0.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.59 -63.93 1.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.561 ' HB1' ' CE1' ' A' ' 71' ' ' HIS . . . -55.11 -24.89 28.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.713 ' CE2' ' CH2' ' A' ' 117' ' ' TRP . 2.1 t80 -75.13 -19.5 59.87 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -112.36 3.29 16.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.226 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -92.03 -3.33 55.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.411 ' CD1' HG12 ' A' ' 67' ' ' VAL . 76.6 mt -72.94 152.74 90.98 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -9.24 20.6 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.43 1.753 . . . . 0.0 111.0 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -104.39 -38.8 2.54 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.546 1.154 . . . . 0.0 110.97 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 46.7 t -63.32 103.78 0.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 0.783 . . . . 0.0 109.956 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 74.07 97.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.213 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.33 -176.56 5.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -123.73 165.24 24.31 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . 0.44 ' CB ' ' CE2' ' A' ' 133' ' ' TRP . 18.4 Cg_endo -74.99 142.82 28.34 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.456 1.766 . . . . 0.0 110.998 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.74 -23.01 56.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.036 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.551 ' CD1' HD22 ' A' ' 155' ' ' LEU . 38.2 p-90 -76.38 -20.93 56.68 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.559 1.162 . . . . 0.0 107.993 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.28 -9.21 45.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.385 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.36 27.4 8.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 0.0 109.956 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 5.3 mt -121.73 120.67 62.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 109.255 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.406 ' O ' ' CZ ' ' A' ' 147' ' ' PHE . 0.8 OUTLIER -135.77 165.9 24.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 109.363 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . 0.497 ' NE2' ' CH2' ' A' ' 205' ' ' TRP . 1.5 tt0 -104.07 114.21 28.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.319 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -72.44 166.96 53.71 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.449 1.093 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.511 ' CD2' ' OD1' ' A' ' 178' ' ' ASN . 1.7 tm? -62.48 -40.82 97.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 0.75 . . . . 0.0 109.326 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -109.81 39.96 2.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -115.02 150.51 44.33 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 110.358 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 92.76 0.97 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.568 1.825 . . . . 0.0 111.024 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . 0.421 ' CE2' ' SG ' ' A' ' 181' ' ' CYS . 15.3 t80 -57.66 -54.64 44.63 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.409 1.068 . . . . 0.0 110.986 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -48.3 -49.55 33.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.603 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.11 -36.41 84.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.323 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . 0.406 ' CZ ' ' O ' ' A' ' 137' ' ' LEU . 0.1 OUTLIER -67.66 -41.86 83.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 91.5 t -55.55 -45.75 78.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.362 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.09 -56.77 17.51 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 153' ' ' ILE . 1.0 OUTLIER -55.89 -56.37 21.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.265 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.488 ' O ' ' CD1' ' A' ' 155' ' ' LEU . 0.3 OUTLIER -39.87 -36.86 0.49 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.42 1.075 . . . . 0.0 109.338 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -65.88 -52.46 49.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . 0.442 ' N ' ' O ' ' A' ' 150' ' ' ARG . 3.2 mt -64.4 -66.88 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 O-C-N 124.593 1.183 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 153' ' ' ILE . . . -38.47 -31.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 0.551 HD22 ' CD1' ' A' ' 133' ' ' TRP . 1.8 mt -68.22 -61.81 1.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.408 1.068 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -50.96 -22.23 2.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.343 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -67.12 -24.37 65.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.595 1.184 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -145.41 39.08 1.19 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.476 1.11 . . . . 0.0 110.944 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.48 109.95 30.57 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.52 0.776 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 147.94 34.48 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.502 1.79 . . . . 0.0 111.021 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -12.84 24.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.355 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -81.24 -8.34 87.36 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.472 1.108 . . . . 0.0 110.959 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' THR . . . . . 0.43 ' HA ' ' HD3' ' A' ' 164' ' ' PRO . 1.2 m -129.23 141.42 41.74 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.468 0.746 . . . . 0.0 110.343 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 163' ' ' THR . 18.1 Cg_endo -75.01 138.02 22.47 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.496 1.787 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . 0.413 ' CD ' ' C ' ' A' ' 165' ' ' LYS . 0.1 OUTLIER -113.04 -32.37 6.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . 0.52 ' N ' ' CD ' ' A' ' 167' ' ' PRO . 0.4 OUTLIER -43.74 -51.21 17.15 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 166' ' ' ASP . 18.2 Cg_endo -75.01 -54.45 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.446 1.761 . . . . 0.0 110.986 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . 0.453 HG21 ' CD1' ' A' ' 172' ' ' LEU . 0.0 OUTLIER -41.41 -34.67 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . 0.506 HD11 ' CD1' ' A' ' 155' ' ' LEU . 15.8 tp -62.25 -65.17 0.73 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.155 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . 0.419 ' CG ' HD13 ' A' ' 195' ' ' LEU . 5.6 mtp180 -55.09 -33.15 62.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.324 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 171' ' ' SER . . . . . 0.421 ' O ' ' CB ' ' A' ' 175' ' ' SER . 0.1 OUTLIER -74.8 -19.66 60.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.034 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.485 ' CD1' HD23 ' A' ' 155' ' ' LEU . 3.1 mt -87.8 -68.58 0.75 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.463 1.102 . . . . 0.0 109.354 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . 0.493 ' O ' ' CB ' ' A' ' 177' ' ' ALA . . . -42.71 -32.99 0.65 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -81.5 -59.43 2.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.598 1.186 . . . . 0.0 110.981 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 175' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 171' ' ' SER . 36.8 m -50.42 -22.32 1.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.977 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . 0.408 ' O ' ' OD1' ' A' ' 176' ' ' ASN . 25.4 p30 -133.51 56.46 1.85 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 173' ' ' ALA . . . -114.07 61.43 0.66 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . 0.511 ' OD1' ' CD2' ' A' ' 140' ' ' LEU . 1.5 t-20 39.3 -158.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.8 -15.4 14.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 0.0 109.362 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -96.04 -41.43 8.75 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.509 1.13 . . . . 0.0 110.347 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 181' ' ' CYS . . . . . 0.421 ' SG ' ' CE2' ' A' ' 144' ' ' TYR . 29.2 t -64.66 -55.62 18.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.392 1.058 . . . . 0.0 108.295 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -49.99 -41.79 47.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.277 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 2.9 tmmm? -64.73 -53.13 51.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . 0.419 ' CD2' ' C ' ' A' ' 184' ' ' LEU . 4.3 tt -44.49 -38.72 4.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.351 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 3.0 mt -61.51 -63.79 1.16 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.542 1.151 . . . . 0.0 109.34 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.7 -51.78 46.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 110.311 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -57.99 -47.13 83.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -51.24 -39.8 57.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.4 1.062 . . . . 0.0 110.267 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 100.97 48.17 1.5 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . 0.576 ' CE1' ' HB3' ' A' ' 197' ' ' ASP . 0.0 OUTLIER -179.52 114.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 0.739 . . . . 0.0 109.542 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 1.2 p -121.23 -50.26 2.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.427 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 192' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 193' ' ' SER . 0.7 OUTLIER -72.98 -21.75 60.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.356 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 193' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 192' ' ' ASN . 0.1 OUTLIER -42.74 165.15 0.11 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.929 -179.884 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 163.98 34.13 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.492 1.785 . . . . 0.0 110.918 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . 0.443 ' CD2' HD23 ' A' ' 169' ' ' LEU . 1.9 tp -51.02 -44.61 61.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -42.53 -41.63 4.25 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . 0.576 ' HB3' ' CE1' ' A' ' 190' ' ' HIS . 0.3 OUTLIER -78.25 -41.25 34.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 0.741 . . . . 0.0 109.398 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 198' ' ' MET . . . . . 0.412 ' HA ' ' CE1' ' A' ' 190' ' ' HIS . 75.1 mtp -52.99 -51.57 61.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 199' ' ' LEU . . . . . 0.416 ' CD2' ' HG ' ' A' ' 195' ' ' LEU . 2.1 mm? -66.07 -32.23 73.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.94 -9.04 58.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -99.82 -43.77 6.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.112 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 202' ' ' CYS . . . . . . . . . . . . . 12.5 p -78.06 -9.52 59.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 108.277 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 203' ' ' GLN . . . . . 0.431 ' HG3' ' N ' ' A' ' 204' ' ' THR . 15.0 pt20 -53.03 -44.94 67.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.468 1.105 . . . . 0.0 110.27 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 204' ' ' THR . . . . . 0.431 ' N ' ' HG3' ' A' ' 203' ' ' GLN . 0.1 OUTLIER -79.74 -9.9 59.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.55 1.156 . . . . 0.0 110.431 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 205' ' ' TRP . . . . . 0.497 ' CH2' ' NE2' ' A' ' 138' ' ' GLN . 7.6 t90 -71.5 60.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.592 1.182 . . . . 0.0 107.915 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 206' ' ' THR . . . . . . . . . . . . . 14.9 t -173.76 114.06 0.33 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 110.371 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 136.73 20.7 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.522 1.801 . . . . 0.0 110.97 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 208' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 56.1 172.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 109.313 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . 1.1 t70 56.84 100.57 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 109.355 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 8.2 mttm -120.98 144.26 48.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 5.4 m -97.03 99.8 11.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.38 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.9 91.72 0.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 213' ' ' VAL . . . . . . . . . . . . . 3.0 p -106.66 -24.87 3.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 214' ' ' LEU . . . . . . . . . . . . . 4.1 tp . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 179.956 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -129.74 -56.93 1.13 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 109.565 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -45.14 -62.66 1.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.594 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.7 t60 74.65 -62.49 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.715 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 75.6 -62.57 0.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.56 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.4 t 62.1 145.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.98 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -161.03 131.59 5.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.963 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 157.64 95.41 0.11 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.507 1.129 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.412 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.4 OUTLIER -129.55 68.15 1.43 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.587 0.816 . . . . 0.0 109.566 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.412 ' C ' ' O ' ' A' ' 9' ' ' HIS . 2.8 pt 39.43 -154.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.436 1.085 . . . . 0.0 109.252 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -158.58 136.08 10.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 0.0 110.311 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -155.55 67.97 0.3 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.528 1.142 . . . . 0.0 111.043 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -147.25 142.27 27.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 0.777 . . . . 0.0 110.272 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.485 ' CE1' ' O ' ' A' ' 49' ' ' ASP . 2.1 p80 -120.16 46.9 1.86 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.467 1.105 . . . . 0.0 109.549 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.596 ' SD ' ' CZ ' ' A' ' 48' ' ' PHE . 1.2 tpt 177.62 84.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 111.055 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.7 pm0 -96.56 166.45 11.67 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.385 1.053 . . . . 0.0 110.281 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.408 ' O ' ' N ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -48.15 -40.02 22.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.969 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.8 ttpt -50.93 -48.04 60.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.25 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.437 ' OD2' ' CE2' ' A' ' 48' ' ' PHE . 4.5 m-20 -60.17 -57.13 14.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.595 ' O ' ' CE1' ' A' ' 61' ' ' TYR . 11.3 mt -55.98 -25.55 44.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.313 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 17' ' ' MET . 0.3 OUTLIER -74.47 -54.59 7.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.421 1.076 . . . . 0.0 110.258 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.03 -36.58 70.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.255 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.0 mt -60.87 -47.63 92.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.8 ttpp -54.02 -29.85 45.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -73.2 -68.53 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -50.19 -24.57 2.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.342 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.445 HG22 ' CG2' ' A' ' 40' ' ' THR . 5.0 t -81.12 -47.8 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.1 t -47.1 -26.33 1.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.928 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.83 -40.08 66.05 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.578 1.174 . . . . 0.0 110.343 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.464 ' CB ' ' HB3' ' A' ' 36' ' ' GLN . . . -46.46 167.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.351 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -109.86 168.0 8.29 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 110.24 3.08 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.501 1.79 . . . . 0.0 111.067 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 72.71 49.08 19.55 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.562 1.164 . . . . 0.0 110.991 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 35.6 m -134.6 154.22 79.47 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.588 0.816 . . . . 0.0 110.042 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 51.05 2.69 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.576 1.83 . . . . 0.0 111.025 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.464 ' HB3' ' CB ' ' A' ' 30' ' ' ALA . 1.0 OUTLIER -121.25 -52.61 2.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.41 1.069 . . . . 0.0 110.333 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.498 ' CE1' HD12 ' A' ' 41' ' ' ILE . 2.2 t80 -62.47 -60.59 3.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.446 ' CE ' HD21 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -49.35 -39.54 32.18 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.479 1.112 . . . . 0.0 111.023 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -57.55 -43.45 84.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.087 . . . . 0.0 110.304 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.445 ' CG2' HG22 ' A' ' 27' ' ' VAL . 1.1 m -62.81 -26.26 68.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.15 . . . . 0.0 110.391 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.498 HD12 ' CE1' ' A' ' 37' ' ' PHE . 18.8 mm -68.45 -53.0 31.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.417 1.073 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -27.73 68.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.405 ' O ' ' CG ' ' A' ' 47' ' ' GLN . 0.2 OUTLIER -67.82 -43.39 79.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.76 -38.38 83.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -67.59 -32.86 58.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 109.356 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -89.18 -5.61 57.57 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.462 1.101 . . . . 0.0 110.299 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.405 ' CG ' ' O ' ' A' ' 43' ' ' LEU . 3.2 mm-40 -85.04 -75.33 0.36 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.596 ' CZ ' ' SD ' ' A' ' 15' ' ' MET . 3.5 p90 -114.34 -10.45 12.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 111.021 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.485 ' O ' ' CE1' ' A' ' 14' ' ' HIS . 10.9 t0 59.91 94.29 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.09 . . . . 0.0 109.285 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 159.6 41.37 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.502 1.791 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 61.2 p -94.58 -174.93 3.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.581 1.175 . . . . 0.0 110.406 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.81 -50.56 73.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.428 ' HD3' ' N ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -57.68 -37.31 73.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.428 ' N ' ' HD3' ' A' ' 53' ' ' LYS . 79.9 m-20 -70.24 -38.4 75.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.423 1.077 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.454 HD12 ' CG ' ' A' ' 117' ' ' TRP . 21.8 mt -66.63 -41.25 88.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -56.33 -55.85 28.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.095 . . . . 0.0 110.314 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -62.37 -39.74 94.16 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 13.0 tp -59.31 -36.18 75.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.554 HD21 ' CD2' ' A' ' 71' ' ' HIS . 24.9 tp -65.94 -32.43 73.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.46 2.29 56.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.599 1.187 . . . . 0.0 110.255 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.595 ' CE1' ' O ' ' A' ' 20' ' ' LEU . 1.6 t80 -98.06 -49.98 4.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 111.055 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 42.9 mt -105.18 -59.8 1.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 1.7 m -55.68 137.01 50.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.105 . . . . 0.0 108.314 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.55 176.51 9.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 110.048 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 9.8 m -60.49 -61.03 2.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.999 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.5 tp -51.94 -44.91 64.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.343 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.3 t -61.94 -58.19 8.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -45.27 -35.68 3.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.3 m -69.9 -50.87 38.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.021 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.44 ' O ' ' NE2' ' A' ' 74' ' ' GLN . 19.6 mt -55.77 -48.36 75.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.554 ' CD2' HD21 ' A' ' 59' ' ' LEU . 0.1 OUTLIER -59.83 -38.14 81.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 109.606 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -57.68 -34.5 69.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.647 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -67.54 -46.52 72.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.274 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.44 ' NE2' ' O ' ' A' ' 70' ' ' LEU . 3.9 mt-30 -65.19 -51.16 62.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 110.231 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.455 ' O ' ' CD1' ' A' ' 79' ' ' ILE . 0.2 OUTLIER -53.03 -34.68 57.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.359 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -60.26 -62.44 1.87 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.67 -33.47 68.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.069 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.468 HD22 ' CB ' ' A' ' 116' ' ' LEU . 1.4 tp -62.57 -52.04 64.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.395 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.455 ' CD1' ' O ' ' A' ' 75' ' ' LEU . 0.9 OUTLIER -57.46 -61.33 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.28 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.439 ' O ' ' CB ' ' A' ' 84' ' ' THR . 5.5 m -45.36 -27.11 0.63 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.957 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -73.31 -43.06 61.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.374 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.472 ' HB2' ' CD1' ' A' ' 87' ' ' ILE . . . -62.71 -58.75 6.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.578 1.173 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -55.44 -39.47 70.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.276 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.439 ' CB ' ' O ' ' A' ' 80' ' ' SER . 3.2 m -64.4 -48.72 74.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 110.418 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.63 0.22 21.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 110.27 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 72.2 94.25 0.08 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.547 1.155 . . . . 0.0 111.021 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.481 HG23 ' CD1' ' A' ' 109' ' ' LEU . 48.1 mt -60.8 166.58 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.553 0.796 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.449 ' OG1' ' N ' ' A' ' 89' ' ' GLY . 65.5 p -47.02 -96.64 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 110.393 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.449 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -121.83 59.65 0.57 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.491 1.119 . . . . 0.0 110.939 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -81.82 147.46 29.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 111.022 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -111.41 98.27 39.49 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.574 1.171 . . . . 0.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -20.65 16.77 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.523 1.802 . . . . 0.0 111.035 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.502 ' CD2' ' C ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -60.49 -34.78 74.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.254 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.462 ' N ' ' CD1' ' A' ' 93' ' ' LEU . . . -61.88 -65.33 0.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.511 ' N ' ' CD ' ' A' ' 96' ' ' PRO . . . 128.06 -50.12 0.9 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 95' ' ' GLY . 18.4 Cg_endo -74.95 160.23 40.57 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.532 1.806 . . . . 0.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.8 tp -120.2 -45.1 2.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.448 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 0.0 OUTLIER -65.08 -29.51 70.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 110.242 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.434 HG21 ' CB ' ' A' ' 96' ' ' PRO . 76.7 t -60.55 -40.49 84.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -75.91 -30.76 58.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 110.301 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -70.12 -45.7 66.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 98' ' ' ARG . 22.4 p30 -92.57 31.28 1.37 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -98.92 131.99 24.5 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 48.9 2.1 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.502 1.79 . . . . 0.0 111.03 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -154.58 -45.67 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.29 117.99 22.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -112.19 -24.97 9.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -65.78 -58.51 9.01 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.543 1.152 . . . . 0.0 111.075 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.481 ' CD1' HG23 ' A' ' 87' ' ' ILE . 0.3 OUTLIER -67.12 -45.9 75.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 0.776 . . . . 0.0 109.382 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -43.99 -38.72 3.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.409 ' C ' ' N ' ' A' ' 113' ' ' TYR . 6.9 mtt180 -78.03 -63.34 1.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 113' ' ' TYR . 0.0 OUTLIER -43.24 -27.08 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.331 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.426 ' N ' ' HG3' ' A' ' 112' ' ' GLU . 12.8 t80 -77.57 -53.45 7.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.959 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.445 ' NE2' ' OD1' ' A' ' 49' ' ' ASP . 44.3 mt-30 -43.99 -40.67 4.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 110.358 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.15 -60.5 2.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.322 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.468 ' CB ' HD22 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -41.83 -36.27 1.0 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.791 ' CZ2' ' CE1' ' A' ' 121' ' ' PHE . 70.2 t90 -65.94 -60.7 2.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 107.944 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.446 HD21 ' CE ' ' A' ' 38' ' ' MET . 67.5 mt -49.43 -32.45 11.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -57.1 -60.82 3.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.44 ' HB1' ' CD2' ' A' ' 75' ' ' LEU . . . -49.22 -47.65 46.11 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.428 1.08 . . . . 0.0 109.264 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.791 ' CE1' ' CZ2' ' A' ' 117' ' ' TRP . 1.2 m-85 -55.98 -41.28 74.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.975 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -86.59 6.74 29.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.557 1.161 . . . . 0.0 109.384 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -102.77 0.76 33.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 88.6 mt -76.53 151.99 83.17 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 55.86 4.05 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.524 1.802 . . . . 0.0 110.914 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 172.91 -52.09 0.16 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' A' ' 121' ' ' PHE . 27.1 t -39.42 -61.3 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.614 0.832 . . . . 0.0 110.026 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -134.65 -53.9 0.82 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt 68.2 161.95 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.341 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.51 ' N ' ' CD ' ' A' ' 131' ' ' PRO . 0.1 OUTLIER 163.4 -52.11 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.298 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . 0.51 ' CD ' ' N ' ' A' ' 130' ' ' ASP . 18.2 Cg_endo -75.03 112.4 3.55 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.59 1.837 . . . . 0.0 110.983 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.99 -16.06 61.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.611 1.194 . . . . 0.0 110.01 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.534 ' HA ' ' CG1' ' A' ' 136' ' ' ILE . 42.9 p-90 -78.26 -17.17 57.03 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -80.36 2.98 22.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -117.97 14.36 14.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.045 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.534 ' CG1' ' HA ' ' A' ' 133' ' ' TRP . 2.0 mm -98.55 117.08 42.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.357 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -136.33 107.54 6.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . 0.636 ' NE2' ' CH2' ' A' ' 205' ' ' TRP . 6.3 tm0? -60.06 109.84 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -65.5 161.47 42.43 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.483 1.114 . . . . 0.0 111.042 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.421 ' N ' ' OD1' ' A' ' 178' ' ' ASN . 2.4 tm? -60.23 -41.45 93.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.761 . . . . 0.0 109.252 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -111.17 39.97 2.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -113.61 156.01 44.11 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 91.14 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.519 1.799 . . . . 0.0 110.962 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . 0.597 ' CD2' ' SG ' ' A' ' 202' ' ' CYS . 52.9 t80 -52.75 -48.84 66.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 111.02 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . 0.416 ' CD2' ' C ' ' A' ' 145' ' ' HIS . 1.1 t-160 -52.75 -46.23 67.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.608 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -60.8 -45.42 94.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.084 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -55.65 -48.58 74.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 13.8 t -53.21 -42.63 47.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.99 -57.22 13.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.336 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.03 -14.42 35.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.429 1.08 . . . . 0.0 110.342 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.435 ' CD1' ' HB3' ' A' ' 172' ' ' LEU . 3.2 mt -78.46 -44.71 23.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.347 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . 0.449 ' ND2' ' HZ1' ' A' ' 165' ' ' LYS . 25.4 t-20 -63.84 -28.77 70.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . 0.458 ' O ' ' N ' ' A' ' 156' ' ' ASP . 4.3 mt -84.41 -58.77 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -48.98 -30.84 6.5 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.479 1.112 . . . . 0.0 109.259 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 0.509 HD22 ' CG ' ' A' ' 133' ' ' TRP . 17.6 mt -82.89 -29.91 28.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.368 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 153' ' ' ILE . 0.2 OUTLIER -71.33 -6.32 39.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 109.366 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 16.0 m-20 -117.76 -38.93 3.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -90.58 -41.27 5.46 Favored Glycine 0 CA--C 1.528 0.896 0 O-C-N 124.501 1.126 . . . . 0.0 111.039 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 155' ' ' LEU . 0.2 OUTLIER -79.01 114.57 45.44 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.473 0.749 . . . . 0.0 109.316 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 150.89 38.91 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.475 1.776 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -57.32 -27.39 62.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 110.263 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -65.94 -19.53 67.78 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.49 1.118 . . . . 0.0 110.994 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' THR . . . . . 0.432 HG23 ' CD1' ' A' ' 159' ' ' LEU . 1.3 m -115.28 141.32 26.97 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.516 0.774 . . . . 0.0 110.395 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 120.55 6.12 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.498 1.788 . . . . 0.0 111.056 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . 0.455 ' CD ' ' C ' ' A' ' 165' ' ' LYS . 0.0 OUTLIER -98.01 -31.03 12.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.341 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . 0.498 ' N ' ' CD ' ' A' ' 167' ' ' PRO . 0.1 OUTLIER -40.68 -52.29 6.45 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.436 1.085 . . . . 0.0 109.288 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 166' ' ' ASP . 18.3 Cg_endo -74.96 -57.48 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.512 1.796 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . 0.474 ' CG2' HD23 ' A' ' 155' ' ' LEU . 0.0 OUTLIER -45.8 -26.02 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . 0.469 HD22 ' CD2' ' A' ' 195' ' ' LEU . 24.9 tp -65.62 -66.99 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.602 1.189 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 17.9 ptt180 -57.38 -30.21 64.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.04 -25.16 58.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.085 . . . . 0.0 110.0 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.435 ' HB3' ' CD1' ' A' ' 151' ' ' LEU . 1.0 OUTLIER -80.27 -49.12 12.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.85 -14.44 62.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -97.23 -62.99 1.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 33.5 t -57.33 -55.6 32.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.991 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -84.93 52.48 2.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -129.44 140.44 51.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.285 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . 0.421 ' OD1' ' N ' ' A' ' 140' ' ' LEU . 0.7 OUTLIER -52.93 -175.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.425 1.078 . . . . 0.0 109.332 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.93 -61.5 1.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -43.54 -36.48 2.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 181' ' ' CYS . . . . . 0.424 ' O ' ' N ' ' A' ' 184' ' ' LEU . 12.2 t -69.45 -69.84 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 108.286 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -45.82 -40.92 10.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 5.0 mtpp -62.96 -38.56 91.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.257 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 181' ' ' CYS . 2.1 tt -59.93 -54.17 49.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . 0.54 ' CD2' ' NE2' ' A' ' 190' ' ' HIS . 43.7 mt -54.71 -56.65 16.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -49.94 -44.11 50.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.281 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -65.31 -25.06 67.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 109.34 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 185' ' ' LEU . 0.3 OUTLIER -87.0 -9.72 54.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.273 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 53.97 46.11 69.86 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . 0.553 ' CG ' ' O ' ' A' ' 190' ' ' HIS . 0.1 OUTLIER -147.03 28.35 1.02 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 0.731 . . . . 0.0 109.622 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 191' ' ' THR . . . . . 0.455 ' C ' ' O ' ' A' ' 190' ' ' HIS . 1.2 p -33.12 -49.31 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.442 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 192' ' ' ASN . . . . . 0.441 ' O ' ' O ' ' A' ' 193' ' ' SER . 12.7 m120 -83.5 -109.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.335 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 193' ' ' SER . . . . . 0.529 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.2 OUTLIER 49.01 179.52 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.944 179.931 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . 0.529 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.3 Cg_endo -74.96 170.87 19.45 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.567 1.825 . . . . 0.0 110.964 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . 0.469 ' CD2' HD22 ' A' ' 169' ' ' LEU . 13.3 tp -70.28 -35.95 74.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -47.46 -37.73 12.91 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.439 1.087 . . . . 0.0 111.044 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . 0.468 ' HB3' ' CE1' ' A' ' 190' ' ' HIS . 17.8 t0 -77.96 -36.14 49.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 0.742 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 198' ' ' MET . . . . . 0.422 ' HA ' ' CE1' ' A' ' 190' ' ' HIS . 75.3 mmm -54.85 -47.52 74.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 199' ' ' LEU . . . . . 0.456 ' CD2' ' HG ' ' A' ' 195' ' ' LEU . 2.3 mm? -71.76 -30.05 65.15 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.539 1.15 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.19 -5.98 47.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.342 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -102.63 -28.9 11.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 202' ' ' CYS . . . . . 0.597 ' SG ' ' CD2' ' A' ' 144' ' ' TYR . 0.1 OUTLIER -94.56 -12.0 28.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.092 . . . . 0.0 108.258 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -55.09 -18.15 5.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 110.314 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 204' ' ' THR . . . . . 0.408 ' O ' ' N ' ' A' ' 206' ' ' THR . 0.1 OUTLIER -105.71 -15.21 15.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.32 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 205' ' ' TRP . . . . . 0.636 ' CH2' ' NE2' ' A' ' 138' ' ' GLN . 3.0 t90 -71.36 60.83 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 206' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 204' ' ' THR . 18.1 p -135.32 89.93 21.93 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.413 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 207' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 208' ' ' LYS . 18.5 Cg_endo -74.9 -50.1 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.51 1.795 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 208' ' ' LYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 209' ' ' ASP . 0.0 OUTLIER 40.46 66.53 0.61 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.414 1.071 . . . . 0.0 109.337 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 209' ' ' ASP . . . . . 0.402 ' CB ' ' O ' ' A' ' 208' ' ' LYS . 0.6 OUTLIER 75.14 -60.91 0.5 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.03 165.73 4.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 26.0 m -137.45 96.69 3.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 110.421 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -165.04 87.38 0.43 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.485 1.115 . . . . 0.0 109.249 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 213' ' ' VAL . . . . . . . . . . . . . 35.2 m -150.39 160.57 4.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.425 1.078 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 214' ' ' LEU . . . . . . . . . . . . . 1.7 pp . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.997 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 3.8 t60 . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -56.23 139.52 47.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.419 1.075 . . . . 0.0 109.62 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 22.9 m80 -109.73 160.03 16.66 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.527 1.142 . . . . 0.0 109.674 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 24.5 p80 -151.51 131.86 13.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.083 . . . . 0.0 109.599 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -122.71 91.57 3.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.628 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.7 p -145.81 117.08 7.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.029 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -178.62 -57.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.0 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 41.32 -151.0 0.18 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.445 1.091 . . . . 0.0 111.036 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -165.85 121.79 1.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 0.795 . . . . 0.0 109.57 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.1 pt -126.52 79.94 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -128.83 144.61 51.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.263 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -172.64 70.78 0.1 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.1 126.62 48.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 0.749 . . . . 0.0 110.27 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -73.24 82.17 1.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.57 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.588 ' SD ' ' CZ ' ' A' ' 48' ' ' PHE . 0.5 OUTLIER 60.6 101.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.132 . . . . 0.0 110.988 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.426 ' OE1' ' N ' ' A' ' 16' ' ' GLN . 15.3 pm0 -104.12 162.25 13.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 110.341 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.1 mmt -47.47 -31.03 3.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.94 -46.79 81.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 109.366 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.499 ' OD2' ' CE2' ' A' ' 48' ' ' PHE . 55.5 m-20 -60.7 -59.94 4.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.456 ' CD2' HD13 ' A' ' 58' ' ' LEU . 62.3 mt -47.19 -34.39 6.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.21 -60.19 2.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.336 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.46 -40.71 62.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.44 ' CG2' HD13 ' A' ' 62' ' ' LEU . 34.3 mt -56.37 -51.53 63.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.357 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -50.13 -31.47 13.57 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.479 1.112 . . . . 0.0 109.247 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -72.72 -72.3 0.25 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 110.241 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -45.22 -30.83 1.29 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.281 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.434 ' O ' ' N ' ' A' ' 30' ' ' ALA . 31.4 t -74.21 -51.27 24.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -43.33 -29.72 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.022 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -68.39 -46.3 70.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.265 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.476 ' CB ' ' HB3' ' A' ' 36' ' ' GLN . . . -46.77 166.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -105.19 163.02 18.0 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 108.89 2.82 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.484 1.781 . . . . 0.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.26 42.71 10.25 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 59.6 p -130.14 153.36 81.11 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.551 0.794 . . . . 0.0 110.0 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 49.57 2.28 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.476 ' HB3' ' CB ' ' A' ' 30' ' ' ALA . 1.4 tp60 -121.39 -47.11 2.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.248 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -61.17 -56.55 19.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 111.027 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.5 -49.18 62.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 111.07 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -49.08 -47.13 45.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.4 HG23 ' CG2' ' A' ' 27' ' ' VAL . 2.9 m -56.7 -32.06 65.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.441 1.088 . . . . 0.0 110.41 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.6 mm -68.34 -40.32 82.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -66.66 -22.44 66.1 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.566 1.167 . . . . 0.0 110.371 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.08 -50.42 13.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.95 -34.89 79.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.438 HG11 ' CD1' ' A' ' 118' ' ' LEU . 1.2 t -72.0 -26.11 24.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.42 1.075 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -95.79 -2.45 47.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -90.84 -68.32 0.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.282 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.588 ' CZ ' ' SD ' ' A' ' 15' ' ' MET . 3.5 p90 -115.44 -30.83 6.11 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.551 1.157 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.47 ' CB ' ' O ' ' A' ' 48' ' ' PHE . 0.9 OUTLIER 79.49 96.1 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.446 1.091 . . . . 0.0 109.344 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.441 ' O ' ' NE2' ' A' ' 114' ' ' GLN . 18.3 Cg_endo -74.98 123.56 7.98 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.533 1.807 . . . . 0.0 111.032 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 26.0 p -59.54 -176.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.407 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.419 ' HB3' ' CZ ' ' A' ' 113' ' ' TYR . . . -58.81 -46.55 87.36 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.454 1.096 . . . . 0.0 109.255 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -56.12 26.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.598 1.186 . . . . 0.0 109.247 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -52.5 -37.3 57.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.582 ' CD1' ' CG ' ' A' ' 117' ' ' TRP . 13.8 mt -65.42 -42.35 92.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.7 -54.71 38.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.135 . . . . 0.0 110.262 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -64.82 -46.26 82.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.081 . . . . 0.0 109.252 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.456 HD13 ' CD2' ' A' ' 20' ' ' LEU . 15.9 tp -50.38 -32.83 18.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.419 HD21 ' CD2' ' A' ' 71' ' ' HIS . 32.9 tp -70.59 -42.44 71.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -83.81 7.55 17.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.255 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -101.97 -54.41 2.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 111.085 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.44 HD13 ' CG2' ' A' ' 23' ' ' ILE . 53.8 mt -98.19 -57.69 2.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 109.239 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.501 ' SG ' ' CG1' ' A' ' 67' ' ' VAL . 1.2 m -57.89 164.57 2.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 108.323 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.487 ' O ' ' CB ' ' A' ' 68' ' ' ALA . 15.6 m -99.03 -175.44 3.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.059 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.53 -52.62 30.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.038 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.7 tp -65.77 -55.95 14.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.438 1.086 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.501 ' CG1' ' SG ' ' A' ' 63' ' ' CYS . 1.0 OUTLIER -51.26 -40.01 22.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.314 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.487 ' CB ' ' O ' ' A' ' 64' ' ' SER . . . -57.24 -60.19 3.99 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 109.241 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 58.3 p -49.67 -42.75 46.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.07 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.3 mt -51.74 -44.28 63.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.429 ' CE1' ' CD1' ' A' ' 117' ' ' TRP . 1.0 OUTLIER -70.99 -37.21 72.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.55 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 25.1 m80 -52.12 -44.83 64.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.592 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.2 tm0? -65.81 -56.0 14.2 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.12 . . . . 0.0 110.283 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.492 ' OE1' ' CB ' ' A' ' 123' ' ' ALA . 43.3 mt-30 -53.61 -27.95 29.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.299 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.492 HD21 ' CB ' ' A' ' 120' ' ' ALA . 0.1 OUTLIER -70.04 -54.36 13.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -53.27 -20.95 4.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.3 m -72.88 -55.54 6.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.045 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.477 ' CD2' ' O ' ' A' ' 74' ' ' GLN . 0.1 OUTLIER -66.11 -47.84 72.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 109.293 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 29.5 mm -48.75 -38.1 9.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 0.0 109.326 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.6 t -71.78 -35.6 70.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 110.065 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -62.31 -43.44 98.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.613 1.196 . . . . 0.0 110.307 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.3 -63.6 1.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.257 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -49.66 -36.54 25.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 110.269 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.8 m -62.36 -44.92 95.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.429 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 6.4 mpt_? -77.8 -1.75 33.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.308 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.17 -8.97 59.23 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.596 1.185 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.444 ' HB ' ' CB ' ' A' ' 90' ' ' TYR . 32.8 mt 58.82 157.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 O-C-N 124.458 0.74 . . . . 0.0 109.309 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.479 ' HG1' ' N ' ' A' ' 89' ' ' GLY . 0.0 OUTLIER -42.34 -73.53 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.53 1.144 . . . . 0.0 110.367 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.479 ' N ' ' HG1' ' A' ' 88' ' ' THR . . . -139.16 57.77 0.62 Allowed Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.505 1.128 . . . . 0.0 111.056 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.444 ' CB ' ' HB ' ' A' ' 87' ' ' ILE . 10.2 t80 -79.49 151.31 30.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 0.767 . . . . 0.0 111.021 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.445 ' ND2' ' HB3' ' A' ' 94' ' ' ALA . 0.1 OUTLIER -115.25 129.67 24.9 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 1.35 7.84 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.491 1.785 . . . . 0.0 110.98 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.561 ' C ' ' CD1' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -94.77 -7.97 38.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.486 ' O ' ' C ' ' A' ' 95' ' ' GLY . . . -103.23 56.76 0.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.26 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.486 ' C ' ' O ' ' A' ' 94' ' ' ALA . . . -29.99 -59.43 0.2 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.453 1.095 . . . . 0.0 110.949 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 88.91 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.495 1.787 . . . . 0.0 110.922 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.9 tp -47.6 -44.34 26.39 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.553 1.158 . . . . 0.0 109.258 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -48.11 -41.23 25.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 110.312 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 42.6 t -66.56 -34.99 73.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.467 ' HG3' ' CB ' ' A' ' 94' ' ' ALA . 0.5 OUTLIER -68.51 -36.28 78.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -75.39 -28.54 59.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -61.44 -24.59 66.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -84.37 129.16 58.92 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.404 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -15.56 20.78 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.494 1.786 . . . . 0.0 110.95 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -57.21 -55.59 32.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.32 62.31 4.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -55.92 -27.97 54.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.27 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -58.1 -57.13 21.42 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.583 1.177 . . . . 0.0 110.977 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.418 ' HG ' ' CG2' ' A' ' 87' ' ' ILE . 0.5 OUTLIER -71.92 -27.5 62.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 0.767 . . . . 0.0 109.357 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.18 -58.64 7.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.34 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.431 ' NH1' ' OE1' ' A' ' 115' ' ' GLN . 0.0 OUTLIER -61.02 -44.85 96.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.43 1.081 . . . . 0.0 110.308 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -54.56 -48.22 72.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 110.282 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.419 ' CZ ' ' HB3' ' A' ' 52' ' ' ALA . 1.9 t80 -65.65 -43.73 88.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' A' ' 50' ' ' PRO . 19.4 mm100 -55.62 -49.45 72.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.264 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.431 ' OE1' ' NH1' ' A' ' 111' ' ' ARG . 3.8 tt0 -69.42 -47.77 63.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.459 1.1 . . . . 0.0 110.257 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.506 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 0.2 OUTLIER -51.16 -47.37 62.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.798 ' CZ2' ' CE1' ' A' ' 121' ' ' PHE . 86.1 t90 -54.35 -53.96 46.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 107.99 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.438 ' CD1' HG11 ' A' ' 45' ' ' VAL . 78.2 mt -55.21 -21.6 14.52 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 116' ' ' LEU . . . -68.19 -63.4 1.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.492 ' CB ' HD21 ' A' ' 75' ' ' LEU . . . -55.93 -31.96 63.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.404 1.065 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.798 ' CE1' ' CZ2' ' A' ' 117' ' ' TRP . 0.2 OUTLIER -63.54 -42.31 98.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 111.039 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -93.78 6.49 48.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.492 ' CB ' ' OE1' ' A' ' 74' ' ' GLN . . . -94.66 0.12 54.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 59.0 mt -73.13 155.22 90.33 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.325 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 56.28 4.22 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.548 1.815 . . . . 0.0 111.021 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 170.56 -34.71 0.17 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.563 1.164 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 7.6 t -75.88 70.09 2.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 0.757 . . . . 0.0 110.027 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -166.76 -169.13 1.26 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.59 -179.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.601 1.188 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -140.27 173.05 5.39 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 115.51 4.3 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.55 1.816 . . . . 0.0 110.982 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 6.1 m -71.76 -23.88 61.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.422 1.076 . . . . 0.0 110.009 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.508 ' CG ' HD22 ' A' ' 155' ' ' LEU . 23.3 p-90 -73.69 -27.1 61.05 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.6 -13.66 54.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.345 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 24.4 m -120.96 29.39 7.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.428 1.08 . . . . 0.0 110.042 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 9.4 mt -123.01 120.87 61.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.352 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.458 HD22 ' CB ' ' A' ' 176' ' ' ASN . 0.8 OUTLIER -136.36 141.18 43.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.437 1.086 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . 0.498 ' CG ' ' HA ' ' A' ' 144' ' ' TYR . 0.2 OUTLIER -81.86 114.58 20.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . 0.451 ' N ' ' OE1' ' A' ' 138' ' ' GLN . . . -71.12 154.04 51.61 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.488 1.117 . . . . 0.0 110.948 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -64.95 -27.53 68.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 0.73 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -113.44 40.67 2.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.298 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.14 156.27 76.99 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.272 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 110.32 3.09 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.489 1.784 . . . . 0.0 111.065 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . 0.498 ' HA ' ' CG ' ' A' ' 138' ' ' GLN . 14.1 t80 -68.71 -43.97 74.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.455 1.097 . . . . 0.0 111.032 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . 0.444 ' CD2' ' C ' ' A' ' 145' ' ' HIS . 1.1 t-160 -52.12 -54.76 26.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 109.631 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -58.56 -37.49 75.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.263 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.12 -51.38 68.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 111.019 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.403 ' CG2' ' CE1' ' A' ' 144' ' ' TYR . 33.2 t -49.04 -34.82 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.353 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -67.36 -54.73 17.95 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -34.7 72.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.579 1.175 . . . . 0.0 110.335 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.28 -38.93 81.39 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 109.303 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 33.2 t-20 -65.95 -54.22 29.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 2.1 mp -52.53 -53.61 19.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -59.04 -23.18 61.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 0.528 ' O ' ' CB ' ' A' ' 159' ' ' LEU . 20.2 mt -90.06 -3.74 57.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -102.22 -12.38 18.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -109.72 -12.15 14.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -123.86 -43.59 0.33 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.528 ' CB ' ' O ' ' A' ' 155' ' ' LEU . 0.2 OUTLIER -79.48 114.52 46.08 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.554 0.796 . . . . 0.0 109.324 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -178.54 4.24 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.469 1.773 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.48 -26.75 24.47 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -70.92 -13.5 72.42 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.579 1.174 . . . . 0.0 111.012 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 3.5 m -111.95 145.37 32.6 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.507 0.769 . . . . 0.0 110.384 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 110.95 3.21 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.439 1.757 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . 0.501 ' CD ' ' C ' ' A' ' 165' ' ' LYS . 0.0 OUTLIER -98.9 -23.6 15.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . 0.509 ' CB ' ' HD3' ' A' ' 167' ' ' PRO . 0.3 OUTLIER -51.45 -52.95 54.97 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' PRO . . . . . 0.509 ' HD3' ' CB ' ' A' ' 166' ' ' ASP . 18.4 Cg_endo -74.98 -48.93 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.464 1.77 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . 0.464 ' CG2' HD23 ' A' ' 155' ' ' LEU . 0.0 OUTLIER -48.52 -39.62 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.567 1.167 . . . . 0.0 109.387 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . 0.47 ' CD2' HD23 ' A' ' 195' ' ' LEU . 13.4 tp -59.36 -61.96 2.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . 0.5 ' CZ ' ' O ' ' A' ' 191' ' ' THR . 32.2 ttp85 -53.44 -40.74 65.42 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.451 1.095 . . . . 0.0 110.307 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.04 -33.18 73.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.986 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 10.5 mt -78.53 -38.65 39.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -78.72 0.05 28.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -111.66 -67.67 0.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 111.037 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 2.3 m -45.0 -65.08 0.58 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.944 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . 0.458 ' CB ' HD22 ' A' ' 137' ' ' LEU . 7.2 p30 -91.03 65.16 5.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.245 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . 0.422 ' O ' ' O ' ' A' ' 178' ' ' ASN . . . -130.77 63.61 1.58 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.624 1.202 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . 0.422 ' O ' ' O ' ' A' ' 177' ' ' ALA . 0.0 OUTLIER 41.09 -162.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.084 . . . . 0.0 109.336 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 6.5 ttpt -111.13 -15.38 13.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 109.335 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . 0.43 ' HB3' ' NE1' ' A' ' 205' ' ' TRP . 0.0 OUTLIER -85.02 -43.97 13.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 181' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 184' ' ' LEU . 7.4 t -64.28 -59.94 3.78 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.508 1.13 . . . . 0.0 108.305 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.75 -45.07 7.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.278 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 8.3 ttpp -72.63 -32.36 65.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . 0.475 ' CD1' ' HA ' ' A' ' 205' ' ' TRP . 0.9 OUTLIER -60.4 -49.36 77.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . 0.464 ' CD2' ' SD ' ' A' ' 198' ' ' MET . 17.2 mt -56.91 -58.34 8.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -52.28 -42.57 63.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.141 . . . . 0.0 110.326 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -63.81 -25.72 68.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . 0.474 ' HG3' ' CD2' ' A' ' 184' ' ' LEU . 0.0 OUTLIER -86.0 -20.01 29.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 110.278 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 62.52 56.64 20.4 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.525 1.141 . . . . 0.0 111.007 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . 0.584 ' CG ' ' O ' ' A' ' 190' ' ' HIS . 1.2 p80 -157.92 39.35 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 0.726 . . . . 0.0 109.609 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 191' ' ' THR . . . . . 0.5 ' O ' ' CZ ' ' A' ' 170' ' ' ARG . 0.9 OUTLIER -64.39 -46.53 82.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 110.434 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -82.29 57.86 3.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.389 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 193' ' ' SER . . . . . 0.545 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER -133.37 -179.0 0.95 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.618 1.199 . . . . 0.0 110.023 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . 0.545 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.4 Cg_endo -74.95 -179.73 5.26 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.467 1.772 . . . . 0.0 111.019 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . 0.47 HD23 ' CD2' ' A' ' 169' ' ' LEU . 6.6 tp -74.78 -52.41 11.53 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.495 1.122 . . . . 0.0 109.36 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -43.35 -44.55 6.36 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.445 1.091 . . . . 0.0 111.044 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . 0.447 ' HB3' ' CE1' ' A' ' 190' ' ' HIS . 0.2 OUTLIER -64.05 -37.45 87.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 0.783 . . . . 0.0 109.328 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 198' ' ' MET . . . . . 0.464 ' SD ' ' CD2' ' A' ' 185' ' ' LEU . 2.8 mmm -67.69 -38.48 83.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.422 1.076 . . . . 0.0 111.026 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 199' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -70.25 -16.82 63.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -88.2 -23.33 23.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.613 1.196 . . . . 0.0 110.293 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -83.48 -39.8 20.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.349 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 202' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 204' ' ' THR . 0.1 OUTLIER -83.83 -16.43 44.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 108.344 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 203' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 202' ' ' CYS . 8.8 pt20 -38.41 -29.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 110.268 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 204' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 202' ' ' CYS . 1.5 t -116.55 -50.14 2.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.321 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 205' ' ' TRP . . . . . 0.551 ' CD1' ' O ' ' A' ' 205' ' ' TRP . 5.4 t90 39.46 58.89 1.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 108.024 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 206' ' ' THR . . . . . 0.409 ' HA ' ' HD3' ' A' ' 207' ' ' PRO . 15.3 t -174.06 144.83 1.02 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.351 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 207' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 206' ' ' THR . 18.6 Cg_endo -74.92 133.89 17.27 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.486 1.782 . . . . 0.0 111.003 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 208' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.63 138.6 37.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -132.58 142.64 49.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.421 1.076 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 55.2 pttt -130.58 164.02 25.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.255 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 59.2 p -116.52 151.31 36.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.428 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -86.02 159.18 19.67 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 213' ' ' VAL . . . . . . . . . . . . . 67.8 t -92.93 79.27 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 214' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.347 -179.938 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -150.17 158.24 43.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.58 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.2 m80 -67.49 121.03 14.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.594 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 57.5 m-70 -109.1 137.59 46.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 109.639 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 24.8 m170 -91.32 -62.19 1.49 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.532 1.145 . . . . 0.0 109.633 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.8 p -152.82 115.27 4.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.972 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.2 t -169.5 147.93 3.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.036 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -163.95 -172.57 31.58 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 15.8 p-80 -165.51 -63.52 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 0.745 . . . . 0.0 109.639 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 60.4 mt -105.53 106.22 20.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -142.88 135.0 27.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 110.335 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -73.82 -164.77 10.29 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -160.67 82.86 0.67 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.558 0.799 . . . . 0.0 110.271 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.562 ' O ' ' CG ' ' A' ' 14' ' ' HIS . 0.4 OUTLIER -166.92 77.19 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.585 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.569 ' HG3' ' CZ ' ' A' ' 48' ' ' PHE . 1.2 ttt 74.43 150.0 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.419 ' HG3' ' CG ' ' A' ' 18' ' ' LYS . 5.7 pt20 -136.24 -171.54 2.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.307 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -71.39 -61.26 1.83 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 111.04 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.419 ' CG ' ' HG3' ' A' ' 16' ' ' GLN . 4.7 pttt -45.99 -41.72 12.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.559 1.162 . . . . 0.0 109.283 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -53.57 -48.2 69.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 109.35 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.461 HD21 ' CE ' ' A' ' 15' ' ' MET . 27.0 mt -64.18 -31.4 72.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.44 -50.13 60.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 110.27 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.65 -47.14 86.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.425 ' HA ' ' CG ' ' A' ' 26' ' ' GLU . 69.7 mt -52.69 -51.09 38.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.69 -33.23 21.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.32 -71.92 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.265 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.425 ' CG ' ' HA ' ' A' ' 23' ' ' ILE . 4.8 pt-20 -45.33 -28.15 0.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.36 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.487 ' O ' ' CB ' ' A' ' 30' ' ' ALA . 10.2 t -77.73 -47.65 25.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.7 p -46.22 -49.68 16.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.95 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -54.93 -33.39 62.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.436 1.085 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.487 ' CB ' ' O ' ' A' ' 27' ' ' VAL . . . -47.84 166.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.36 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -108.14 164.51 14.61 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 115.1 4.18 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.516 1.798 . . . . 0.0 110.988 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 70.19 34.25 69.6 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.488 1.118 . . . . 0.0 111.003 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.5 t -118.13 150.95 48.48 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.556 0.797 . . . . 0.0 110.033 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 50.27 2.47 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.512 1.796 . . . . 0.0 110.976 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -121.32 -46.94 2.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.158 . . . . 0.0 110.322 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.407 ' N ' ' HB2' ' A' ' 30' ' ' ALA . 0.8 OUTLIER -65.98 -66.83 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 111.044 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.463 ' CE ' HD21 ' A' ' 118' ' ' LEU . 6.2 tpt -47.69 -41.23 22.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.579 1.174 . . . . 0.0 111.017 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -55.46 -42.96 75.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.272 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -64.69 -23.42 67.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.335 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 19.7 mm -72.9 -52.72 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.92 -34.24 65.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.343 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.82 -51.16 68.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.367 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.4 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . . . -65.58 -33.72 76.58 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.38 1.05 . . . . 0.0 109.189 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.429 HG12 ' CD1' ' A' ' 118' ' ' LEU . 2.1 t -69.08 -30.21 45.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.75 -2.15 56.22 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -87.45 -68.53 0.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.575 1.172 . . . . 0.0 110.292 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.569 ' CZ ' ' HG3' ' A' ' 15' ' ' MET . 1.5 p90 -114.34 -27.56 7.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.965 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 48' ' ' PHE . 1.7 m-20 76.13 93.24 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 126.39 9.95 Favored 'Trans proline' 0 C--N 1.359 1.087 0 O-C-N 124.534 1.807 . . . . 0.0 110.971 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.412 ' OG1' ' CE1' ' A' ' 14' ' ' HIS . 8.6 p -61.44 -167.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 110.385 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.51 -38.6 81.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 109.367 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' A' ' 56' ' ' GLN . 4.9 mttp -63.1 -65.16 0.73 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.413 1.07 . . . . 0.0 109.234 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -45.89 -42.41 12.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 109.275 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.5 HD23 ' CE2' ' A' ' 117' ' ' TRP . 12.8 mt -60.55 -41.96 95.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.565 1.165 . . . . 0.0 109.336 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -53.04 -54.07 40.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.25 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 60' ' ' GLN . 17.9 t0 -65.79 -55.72 15.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 31.9 tp -43.11 -36.53 1.69 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.426 1.078 . . . . 0.0 109.302 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.407 ' O ' ' SG ' ' A' ' 63' ' ' CYS . 33.3 tp -65.02 -47.99 75.5 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.61 1.193 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -87.79 18.26 4.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -111.65 -31.04 7.12 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.543 1.152 . . . . 0.0 111.061 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 63.8 mt -102.09 -62.37 1.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 59' ' ' LEU . 13.6 p -86.12 171.75 11.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 108.3 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.0 m -90.95 176.14 6.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.971 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.1 m -53.81 -44.04 69.86 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.579 1.174 . . . . 0.0 110.048 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.5 tp -45.25 -71.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.443 HG12 ' CD1' ' A' ' 124' ' ' LEU . 3.5 t -50.51 -50.77 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.516 ' O ' ' CG ' ' A' ' 72' ' ' HIS . . . -43.77 -35.76 2.01 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.553 1.158 . . . . 0.0 109.264 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.6 m -78.65 -47.67 16.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 109.996 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.443 ' O ' ' NE2' ' A' ' 74' ' ' GLN . 94.6 mt -51.24 -45.54 62.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.508 ' CD2' ' C ' ' A' ' 71' ' ' HIS . 0.2 OUTLIER -67.34 -37.77 83.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 109.603 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.516 ' CG ' ' O ' ' A' ' 68' ' ' ALA . 52.7 m170 -56.67 -21.06 24.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.642 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -87.79 -71.99 0.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.326 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.443 ' NE2' ' O ' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -46.88 -32.55 3.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.319 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.463 ' CD2' ' HG ' ' A' ' 116' ' ' LEU . 2.1 tm? -76.25 -42.0 47.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -59.28 -53.01 63.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.9 t -52.8 -52.38 57.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.052 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 19.1 tp -51.06 -52.31 44.55 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.572 1.17 . . . . 0.0 109.246 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.46 HD12 ' CD1' ' A' ' 75' ' ' LEU . 0.1 OUTLIER -52.52 -43.79 43.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.56 -36.47 45.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.018 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -67.76 -35.41 78.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.287 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.15 -59.82 3.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.147 . . . . 0.0 109.328 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -51.03 -39.53 56.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.249 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.8 m -57.4 -47.01 82.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.423 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.13 -1.67 27.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 110.345 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.47 -6.84 63.16 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.451 1.094 . . . . 0.0 111.023 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 37.7 mt 56.35 167.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.777 . . . . 0.0 109.367 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.413 ' OG1' ' N ' ' A' ' 89' ' ' GLY . 62.7 p -44.63 -76.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.592 1.183 . . . . 0.0 110.384 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.413 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -138.17 53.6 0.71 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.461 1.101 . . . . 0.0 111.04 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.506 ' CD1' ' OE1' ' A' ' 100' ' ' GLN . 77.0 t80 -81.19 144.89 31.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 0.736 . . . . 0.0 110.959 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.405 ' HB3' ' CD1' ' A' ' 93' ' ' LEU . 0.6 OUTLIER -111.31 102.16 52.33 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.334 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -22.85 14.49 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.438 1.757 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.501 ' CD2' ' C ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -57.73 -34.92 70.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.458 ' N ' ' CD1' ' A' ' 93' ' ' LEU . . . -62.58 -64.72 0.84 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.523 ' N ' ' CD ' ' A' ' 96' ' ' PRO . . . 125.64 -48.94 0.94 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.566 1.166 . . . . 0.0 110.981 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 95' ' ' GLY . 18.6 Cg_endo -74.95 160.1 40.73 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.497 1.788 . . . . 0.0 111.029 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 14.6 tp -120.15 -52.43 2.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.34 -25.16 48.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.247 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 89.1 t -66.14 -45.01 91.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.506 ' OE1' ' CD1' ' A' ' 90' ' ' TYR . 77.2 mt-30 -71.37 -23.7 61.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 0.0 110.335 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.443 ' CB ' ' CD2' ' A' ' 113' ' ' TYR . . . -76.94 -25.88 53.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -113.14 33.17 5.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.145 . . . . 0.0 109.28 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -98.75 132.3 24.11 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 49.16 2.2 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.539 1.81 . . . . 0.0 110.952 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -165.83 -41.55 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.272 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -79.65 54.75 1.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.02 -24.98 63.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 110.32 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.25 -56.46 20.09 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.515 1.134 . . . . 0.0 111.023 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.32 -30.25 61.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.586 0.815 . . . . 0.0 109.343 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.44 -55.15 37.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.272 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.49 -45.54 90.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -53.35 -51.03 63.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.443 ' CD2' ' CB ' ' A' ' 101' ' ' ALA . 4.7 t80 -53.83 -39.9 65.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 110.953 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 29.7 tp60 -55.14 -50.87 68.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.21 -57.9 4.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 110.335 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.463 ' HG ' ' CD2' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -41.57 -42.91 2.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.5 ' CE2' HD23 ' A' ' 55' ' ' LEU . 88.2 t90 -60.07 -54.97 39.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 108.01 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.463 HD21 ' CE ' ' A' ' 38' ' ' MET . 50.4 mt -53.11 -28.32 24.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.436 1.085 . . . . 0.0 109.348 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -59.79 -63.26 1.37 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.439 ' CB ' ' HG3' ' A' ' 74' ' ' GLN . . . -54.91 -38.5 67.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.93 -30.64 71.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 111.021 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -99.12 6.47 46.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -101.83 1.37 37.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.443 ' CD1' HG12 ' A' ' 67' ' ' VAL . 81.4 mt -74.18 154.86 88.38 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 55.85 4.09 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.55 1.816 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 148.9 45.76 0.03 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.534 1.146 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 22.7 t -145.57 52.53 1.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 0.774 . . . . 0.0 109.986 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -168.35 -71.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.4 177.22 5.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.593 1.183 . . . . 0.0 109.287 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.55 143.21 35.7 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.439 1.087 . . . . 0.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . 0.481 ' CB ' ' CE2' ' A' ' 133' ' ' TRP . 18.3 Cg_endo -75.01 136.26 20.13 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.446 1.761 . . . . 0.0 110.95 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.94 -23.12 52.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.987 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.511 ' CD1' ' CD2' ' A' ' 155' ' ' LEU . 12.6 p-90 -75.76 -13.29 60.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 0.0 107.937 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.24 -10.45 54.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.07 31.83 4.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 110.003 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 32.7 mt -123.12 120.91 61.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.52 149.8 34.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . 0.461 ' NE2' ' O ' ' A' ' 139' ' ' GLY . 2.8 tp60 -67.28 114.31 5.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.261 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . 0.461 ' O ' ' NE2' ' A' ' 138' ' ' GLN . . . -76.7 158.14 48.29 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.432 1.082 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -62.68 -35.17 78.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.765 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -114.94 40.75 2.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.261 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -132.35 155.77 80.89 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 109.88 3.01 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.453 1.765 . . . . 0.0 111.037 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . 0.592 ' CE1' ' SG ' ' A' ' 202' ' ' CYS . 2.6 t80 -66.55 -45.17 80.25 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.546 1.154 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . 0.499 ' CD2' ' C ' ' A' ' 145' ' ' HIS . 0.2 OUTLIER -58.64 -58.12 9.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.565 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -52.57 -36.89 56.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.6 -56.69 18.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 21.5 t -44.81 -39.8 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -58.27 -59.83 4.71 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.58 1.175 . . . . 0.0 110.261 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -57.01 -44.06 82.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.089 . . . . 0.0 110.297 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.475 ' HB3' ' CD1' ' A' ' 169' ' ' LEU . 1.8 mt -46.87 -43.51 18.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -65.36 -34.02 77.34 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . 0.448 ' N ' ' O ' ' A' ' 150' ' ' ARG . 17.1 mt -69.02 -61.86 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -54.78 -20.41 8.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.245 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 0.511 ' CD2' ' CD1' ' A' ' 133' ' ' TRP . 21.1 mt -90.18 -23.26 21.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 153' ' ' ILE . 30.7 t70 -88.01 -8.06 56.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 29.7 m-20 -115.12 -7.64 12.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.437 1.086 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -128.14 -43.32 0.23 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.526 1.141 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.496 ' CB ' ' O ' ' A' ' 155' ' ' LEU . 0.2 OUTLIER -79.93 115.18 52.27 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.453 0.737 . . . . 0.0 109.262 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -171.11 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.535 1.808 . . . . 0.0 111.006 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -89.34 -43.27 11.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 110.266 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -51.59 -28.8 23.06 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.506 1.129 . . . . 0.0 111.023 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 1.5 m -100.96 144.01 27.72 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.449 0.735 . . . . 0.0 110.396 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 116.62 4.64 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.499 1.789 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . 0.478 ' CD ' ' C ' ' A' ' 165' ' ' LYS . 0.1 OUTLIER -102.56 -18.62 15.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 109.346 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . 0.554 ' N ' ' CD ' ' A' ' 167' ' ' PRO . 0.0 OUTLIER -57.39 -49.78 91.9 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.318 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' PRO . . . . . 0.554 ' CD ' ' N ' ' A' ' 166' ' ' ASP . 18.1 Cg_endo -75.08 -45.65 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.41 1.742 . . . . 0.0 110.949 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . 0.401 ' CG2' HD22 ' A' ' 155' ' ' LEU . 0.3 OUTLIER -53.65 -46.84 61.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . 0.475 ' CD1' ' HB3' ' A' ' 151' ' ' LEU . 53.9 tp -54.52 -56.77 15.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.578 1.174 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 10.5 mtt180 -58.97 -15.94 15.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 110.281 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 171' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 175' ' ' SER . 0.2 OUTLIER -83.8 -38.94 20.62 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.557 1.161 . . . . 0.0 110.008 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.47 ' CD1' HD12 ' A' ' 155' ' ' LEU . 0.9 OUTLIER -81.99 -17.88 45.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.437 1.086 . . . . 0.0 109.278 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -83.99 -30.61 26.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 174' ' ' TYR . . . . . 0.431 ' O ' ' NE2' ' A' ' 182' ' ' GLN . 13.6 t80 -117.02 -69.91 0.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.942 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 175' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 171' ' ' SER . 0.2 OUTLIER -41.57 -30.28 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.949 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -118.46 61.63 0.78 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . 0.413 ' O ' ' O ' ' A' ' 178' ' ' ASN . . . -139.73 158.36 44.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . 0.413 ' O ' ' O ' ' A' ' 177' ' ' ALA . 44.2 p-10 -57.52 -160.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.258 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.21 -45.29 7.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.575 1.172 . . . . 0.0 109.3 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.26 -42.56 41.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 181' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 184' ' ' LEU . 71.7 m -76.23 -66.35 0.81 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.495 1.122 . . . . 0.0 108.268 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . 0.452 ' O ' ' NE2' ' A' ' 186' ' ' GLN . 3.5 mt-30 -40.58 -37.18 0.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.235 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 11.0 ttpp -72.24 -47.16 52.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . 0.516 ' CD2' ' C ' ' A' ' 184' ' ' LEU . 2.9 tt -57.91 -49.95 74.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . 0.535 ' CD2' ' NE2' ' A' ' 190' ' ' HIS . 3.6 mt -48.92 -55.73 10.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.255 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' A' ' 189' ' ' GLY . 0.4 OUTLIER -59.46 -58.66 7.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.447 1.092 . . . . 0.0 110.302 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -46.75 -31.72 3.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.75 -37.67 76.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.403 1.065 . . . . 0.0 110.275 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 189' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 186' ' ' GLN . . . 75.94 62.13 2.71 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.513 1.133 . . . . 0.0 111.074 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . 0.535 ' NE2' ' CD2' ' A' ' 185' ' ' LEU . 1.4 p80 -156.32 23.83 0.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 0.739 . . . . 0.0 109.571 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -50.14 -47.24 54.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.364 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -86.85 62.3 7.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 193' ' ' SER . . . . . 0.417 ' OG ' ' ND1' ' A' ' 190' ' ' HIS . 1.0 OUTLIER -144.68 173.24 4.53 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.01 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . 0.402 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.1 Cg_endo -75.04 174.03 13.5 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.495 1.787 . . . . 0.0 110.927 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . 0.469 ' HG ' ' CD2' ' A' ' 199' ' ' LEU . 6.3 tp -65.24 -39.41 92.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -42.26 -35.28 1.77 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.452 1.095 . . . . 0.0 110.983 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . 0.489 ' HB3' ' CE1' ' A' ' 190' ' ' HIS . 10.6 t0 -84.58 -36.88 21.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.764 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 198' ' ' MET . . . . . 0.453 ' SD ' ' CD2' ' A' ' 185' ' ' LEU . 65.1 mmm -54.45 -37.15 64.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 111.029 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 199' ' ' LEU . . . . . 0.469 ' CD2' ' HG ' ' A' ' 195' ' ' LEU . 3.6 mm? -83.2 -35.76 25.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.615 1.197 . . . . 0.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.47 -5.16 30.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -103.79 -36.65 7.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 202' ' ' CYS . . . . . 0.592 ' SG ' ' CE1' ' A' ' 144' ' ' TYR . 11.1 m -84.83 -13.27 51.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 108.331 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -58.52 -30.14 66.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.336 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.6 -4.0 51.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.376 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 205' ' ' TRP . . . . . . . . . . . . . 27.1 t90 -70.77 61.21 0.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 108.008 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 206' ' ' THR . . . . . . . . . . . . . 10.3 p -134.23 161.57 62.9 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.423 1.077 . . . . 0.0 110.434 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -55.53 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.522 1.801 . . . . 0.0 111.002 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 208' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 73.32 -69.88 0.18 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 68.25 96.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.99 178.95 8.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.398 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 13.3 t -153.05 144.68 23.45 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.438 1.086 . . . . 0.0 110.404 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 4.8 tptp -50.48 142.59 10.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 109.273 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 213' ' ' VAL . . . . . . . . . . . . . 8.8 p -143.92 137.61 24.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.609 1.193 . . . . 0.0 109.272 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 214' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -178.45 171.9 1.53 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.576 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -166.47 175.39 8.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.635 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -147.66 176.2 10.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.397 1.06 . . . . 0.0 109.626 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -144.35 175.72 9.89 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.432 1.082 . . . . 0.0 109.572 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.1 171.51 6.9 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.469 1.105 . . . . 0.0 109.927 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.0 t -167.02 168.88 13.42 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.43 1.081 . . . . 0.0 109.972 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -139.82 -156.54 6.96 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -165.1 175.58 9.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 0.752 . . . . 0.0 109.541 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -165.17 152.48 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -161.48 170.34 20.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 110.309 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 131.1 156.66 8.59 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.446 1.092 . . . . 0.0 111.017 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -156.53 120.85 4.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.408 0.71 . . . . 0.0 110.355 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -179.93 84.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.57 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.585 ' CE ' ' CD2' ' A' ' 20' ' ' LEU . 2.2 ttt 39.07 89.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 111.043 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 -79.91 156.68 27.17 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.463 1.102 . . . . 0.0 110.298 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.47 -37.19 3.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.172 . . . . 0.0 110.922 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.2 ttpt -54.83 -47.49 74.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -56.79 -58.74 6.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.585 ' CD2' ' CE ' ' A' ' 15' ' ' MET . 6.0 mt -53.11 -39.27 63.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -58.82 6.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.79 -38.33 64.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.147 . . . . 0.0 109.264 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 37.5 mt -57.34 -53.36 44.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.149 . . . . 0.0 109.338 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -48.56 -32.38 7.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.346 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.64 -70.95 0.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.446 ' CD ' ' CG2' ' A' ' 40' ' ' THR . 12.7 pt-20 -46.58 -27.33 1.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 110.319 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.539 HG13 ' CD1' ' A' ' 37' ' ' PHE . 23.9 t -79.07 -51.96 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.257 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.5 p -46.93 -27.23 1.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 109.959 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -72.21 -46.83 54.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.268 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.463 ' CB ' ' HB3' ' A' ' 36' ' ' GLN . . . -44.84 167.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -98.93 163.03 19.57 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 126.17 9.84 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.564 1.823 . . . . 0.0 111.02 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.32 43.59 97.2 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.434 1.084 . . . . 0.0 111.042 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.6 m -129.1 156.65 77.86 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.455 0.738 . . . . 0.0 110.036 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 49.32 2.23 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.49 1.784 . . . . 0.0 110.96 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.463 ' HB3' ' CB ' ' A' ' 30' ' ' ALA . 9.7 tp60 -121.68 -52.94 2.0 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.535 1.147 . . . . 0.0 110.271 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.539 ' CD1' HG13 ' A' ' 27' ' ' VAL . 3.5 t80 -60.05 -59.13 5.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 0.0 110.989 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.464 ' CE ' HD22 ' A' ' 118' ' ' LEU . 4.1 tpt -48.33 -40.61 25.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -58.19 -41.66 84.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.446 ' CG2' ' CD ' ' A' ' 26' ' ' GLU . 29.1 m -63.46 -24.49 67.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.356 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.519 HD11 ' CE1' ' A' ' 37' ' ' PHE . 16.6 mm -71.5 -39.38 70.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.409 ' O ' ' CB ' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -70.47 -33.34 71.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 0.0 110.354 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.435 ' O ' ' CG ' ' A' ' 47' ' ' GLN . 54.7 tp -65.14 -32.44 74.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -85.5 -44.15 12.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.464 HG13 ' CD1' ' A' ' 118' ' ' LEU . 0.3 OUTLIER -68.84 -8.5 10.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.3 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.409 ' CB ' ' O ' ' A' ' 42' ' ' ARG . 1.2 tt0 -110.62 -27.79 8.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 110.352 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.435 ' CG ' ' O ' ' A' ' 43' ' ' LEU . 26.8 mt-30 -66.64 -65.44 0.68 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 110.319 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.562 ' CE1' ' HG3' ' A' ' 15' ' ' MET . 17.5 p90 -113.82 -30.45 6.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.168 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 74.32 96.1 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.439 ' CD ' ' HA ' ' A' ' 45' ' ' VAL . 18.2 Cg_endo -74.98 148.67 35.69 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.49 1.784 . . . . 0.0 110.991 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.3 p -82.71 -176.27 6.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.365 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.401 ' HB2' ' CZ ' ' A' ' 113' ' ' TYR . . . -52.68 -50.7 62.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -56.5 -57.47 12.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.405 ' HB3' ' CB ' ' A' ' 50' ' ' PRO . 90.4 m-20 -50.46 -37.1 36.52 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.557 1.161 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.48 HD22 ' CZ3' ' A' ' 117' ' ' TRP . 13.0 mt -67.31 -45.93 75.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.221 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -56.46 -52.7 63.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.349 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -64.26 -41.26 97.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 19.3 tp -62.46 -24.27 67.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.351 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.403 HD23 ' CD2' ' A' ' 71' ' ' HIS . 32.2 tp -71.43 -43.53 66.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -79.9 -21.25 44.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.584 1.178 . . . . 0.0 110.28 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -66.18 -57.84 6.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 111.033 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 23.1 mt -98.89 -67.37 0.85 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.347 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.476 ' SG ' ' CG1' ' A' ' 67' ' ' VAL . 0.8 OUTLIER -49.65 148.27 3.06 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.461 1.1 . . . . 0.0 108.289 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.4 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.5 OUTLIER -86.28 156.98 20.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.013 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.464 ' O ' ' CB ' ' A' ' 68' ' ' ALA . 0.5 OUTLIER -39.71 -75.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.047 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.1 tp -44.52 -64.41 0.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.328 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.476 ' CG1' ' SG ' ' A' ' 63' ' ' CYS . 1.2 t -41.23 -32.87 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.464 ' CB ' ' O ' ' A' ' 65' ' ' SER . . . -68.03 -64.11 0.93 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 59.6 p -42.87 -37.1 1.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.995 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.452 ' O ' ' NE2' ' A' ' 74' ' ' GLN . 14.0 mt -62.55 -47.52 83.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.345 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.588 ' CE1' ' CD1' ' A' ' 117' ' ' TRP . 3.4 t60 -63.65 -36.69 84.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.601 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 38.7 m80 -52.72 -49.44 65.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.589 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.46 -37.89 87.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.452 ' NE2' ' O ' ' A' ' 70' ' ' LEU . 5.6 mt-30 -58.02 -51.47 69.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.366 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.429 ' CD2' ' HG ' ' A' ' 116' ' ' LEU . 3.0 mt -66.31 -36.56 83.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -60.57 -37.13 80.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 42.2 t -81.03 -40.65 23.91 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.423 1.077 . . . . 0.0 110.025 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.2 tp -59.35 -61.86 2.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.224 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 2.5 mt -56.07 -43.81 76.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.3 m -48.75 -31.79 7.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.955 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -76.97 -34.16 57.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 110.265 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.451 ' HB3' ' CD1' ' A' ' 87' ' ' ILE . . . -66.55 -60.28 2.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.31 -28.65 55.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.288 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.9 m -76.01 -47.76 23.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 110.46 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -77.12 -1.31 28.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.113 . . . . 0.0 110.296 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 76.42 96.05 0.17 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.524 1.14 . . . . 0.0 110.972 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.451 ' CD1' ' HB3' ' A' ' 82' ' ' ALA . 32.4 mt -64.63 155.01 6.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.753 . . . . 0.0 109.307 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.448 ' OG1' ' N ' ' A' ' 89' ' ' GLY . 0.1 OUTLIER -35.3 -83.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.534 1.146 . . . . 0.0 110.424 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.448 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -129.47 58.81 0.7 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.436 1.085 . . . . 0.0 111.014 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.415 ' CB ' ' HB ' ' A' ' 87' ' ' ILE . 12.3 t80 -81.34 152.48 27.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 0.761 . . . . 0.0 111.074 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.553 ' ND2' ' CD1' ' A' ' 93' ' ' LEU . 1.1 t-20 -108.35 127.26 27.84 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.432 1.083 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -28.73 8.97 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.465 1.771 . . . . 0.0 110.996 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.553 ' CD1' ' ND2' ' A' ' 91' ' ' ASN . 0.0 OUTLIER -72.68 -12.11 60.9 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.14 . . . . 0.0 109.334 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.468 ' O ' ' C ' ' A' ' 95' ' ' GLY . . . -94.87 52.46 1.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 94' ' ' ALA . . . -30.5 -55.62 0.24 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.426 ' CD ' ' N ' ' A' ' 95' ' ' GLY . 18.3 Cg_endo -74.98 81.81 2.13 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.536 1.809 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.401 ' O ' ' N ' ' A' ' 100' ' ' GLN . 0.3 OUTLIER -47.45 -37.96 12.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.539 1.149 . . . . 0.0 109.321 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.458 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 25.8 ptt180 -48.55 -37.84 18.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.272 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.434 ' N ' ' HG3' ' A' ' 98' ' ' ARG . 37.2 t -64.45 -34.95 72.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.35 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.442 ' NE2' ' CB ' ' A' ' 94' ' ' ALA . 44.4 mt-30 -72.4 -42.67 64.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.421 1.076 . . . . 0.0 110.273 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.1 -24.51 66.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.272 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 98' ' ' ARG . 28.0 p30 -118.69 32.78 5.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.401 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 5.9 m-20 -102.49 137.61 19.43 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 48.86 2.09 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.483 1.781 . . . . 0.0 111.032 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.435 ' CG ' ' N ' ' A' ' 106' ' ' GLN . 8.4 pt20 -156.76 -43.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.266 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.435 ' N ' ' CG ' ' A' ' 105' ' ' GLN . 13.2 mm100 -79.63 116.43 19.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 0.0 110.266 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -114.69 -33.38 5.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -67.9 -55.74 13.04 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.554 1.159 . . . . 0.0 111.013 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.74 -36.09 81.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 0.756 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.51 -48.65 62.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.301 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -70.04 -59.77 2.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.365 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 113' ' ' TYR . 0.1 OUTLIER -44.66 -33.28 1.77 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.211 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.421 ' N ' ' HG3' ' A' ' 112' ' ' GLU . 29.8 t80 -68.47 -47.72 66.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.942 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -50.45 -50.08 53.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.53 -50.9 56.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.399 1.062 . . . . 0.0 110.323 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.429 ' HG ' ' CD2' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -48.36 -39.59 22.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.588 ' CD1' ' CE1' ' A' ' 71' ' ' HIS . 34.8 t90 -60.04 -61.82 2.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.533 1.146 . . . . 0.0 108.025 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.464 ' CD1' HG13 ' A' ' 45' ' ' VAL . 98.5 mt -44.68 -28.58 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.261 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.3 -62.91 1.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.529 ' HB1' ' CE1' ' A' ' 71' ' ' HIS . . . -56.27 -35.43 67.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.586 1.179 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.403 ' HE2' ' CZ ' ' A' ' 37' ' ' PHE . 1.9 t80 -67.33 -32.04 72.73 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.528 1.142 . . . . 0.0 111.001 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -97.31 7.04 47.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -101.12 1.62 39.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.371 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 91.3 mt -76.17 150.84 83.38 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -7.04 18.77 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.463 1.77 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -107.75 -41.1 1.63 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.414 ' O ' ' CB ' ' A' ' 128' ' ' ALA . 0.9 OUTLIER -72.07 64.7 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 0.0 110.043 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.414 ' CB ' ' O ' ' A' ' 127' ' ' SER . . . 169.21 173.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.79 158.68 10.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.136 . . . . 0.0 109.355 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -172.61 100.6 0.35 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 116.15 4.5 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.47 1.774 . . . . 0.0 111.018 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 9.5 m -74.86 -24.24 58.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.11 . . . . 0.0 109.96 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . . . . . . . . . 28.4 p-90 -74.43 -21.25 59.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 108.017 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -70.51 -7.65 45.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.34 26.37 6.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.171 . . . . 0.0 109.963 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 30.1 mt -125.02 125.01 68.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.466 ' CB ' ' HB3' ' A' ' 176' ' ' ASN . 0.0 OUTLIER -145.52 154.28 42.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . 0.468 ' NE2' ' O ' ' A' ' 139' ' ' GLY . 0.1 OUTLIER -73.12 120.24 18.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.301 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . 0.468 ' O ' ' NE2' ' A' ' 138' ' ' GLN . . . -80.18 149.56 31.02 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.5 -47.28 63.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 109.294 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -110.37 40.37 1.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -114.35 168.66 7.63 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.333 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . 0.496 ' O ' ' CB ' ' A' ' 147' ' ' PHE . 18.2 Cg_endo -75.08 115.37 4.25 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.502 1.791 . . . . 0.0 110.96 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . 0.443 ' CE2' ' SG ' ' A' ' 181' ' ' CYS . 1.9 t80 -69.27 -55.57 10.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . 0.434 ' CD2' ' C ' ' A' ' 145' ' ' HIS . 0.8 OUTLIER -59.16 -58.09 10.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.59 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -50.61 -50.83 53.07 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . 0.496 ' CB ' ' O ' ' A' ' 143' ' ' PRO . 7.1 t80 -47.65 -42.18 23.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 18.2 t -65.88 -47.62 84.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 109.264 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.14 -54.85 29.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -58.62 -49.22 78.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.608 1.192 . . . . 0.0 110.282 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.484 ' CD1' ' HB3' ' A' ' 172' ' ' LEU . 0.6 OUTLIER -43.54 -38.92 3.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -66.36 -48.35 70.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.167 . . . . 0.0 109.366 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 1.3 mp -62.24 -67.62 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -41.3 -34.8 0.54 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 0.568 ' O ' ' N ' ' A' ' 158' ' ' GLY . 2.3 mt -66.69 -64.31 0.88 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -46.71 -23.3 0.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . 0.427 ' N ' ' C ' ' A' ' 155' ' ' LEU . 0.8 OUTLIER -72.77 -31.8 65.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.25 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . 0.568 ' N ' ' O ' ' A' ' 155' ' ' LEU . . . -140.7 56.55 0.6 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.416 ' CD2' HD22 ' A' ' 155' ' ' LEU . 0.2 OUTLIER -145.93 107.32 4.27 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 109.33 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 159.31 41.4 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.444 1.76 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -66.83 -42.99 84.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.297 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -46.64 -28.98 3.87 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' THR . . . . . 0.414 HG23 ' N ' ' A' ' 164' ' ' PRO . 1.3 m -110.5 141.27 23.63 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.552 0.795 . . . . 0.0 110.424 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' PRO . . . . . 0.414 ' N ' HG23 ' A' ' 163' ' ' THR . 18.3 Cg_endo -75.1 142.09 27.13 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.7 -28.46 8.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 109.236 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . 0.554 ' N ' ' CD ' ' A' ' 167' ' ' PRO . 0.0 OUTLIER -49.36 -49.82 68.57 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.377 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' PRO . . . . . 0.554 ' CD ' ' N ' ' A' ' 166' ' ' ASP . 18.4 Cg_endo -75.03 -44.76 0.31 Allowed 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.498 1.788 . . . . 0.0 111.01 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . 0.44 ' CG2' ' CD2' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -54.22 -44.96 66.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' A' ' 151' ' ' LEU . 36.2 tp -53.94 -57.06 12.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . 0.404 ' CZ ' ' HA ' ' A' ' 192' ' ' ASN . 3.7 ttp180 -57.14 -45.15 83.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.414 1.071 . . . . 0.0 110.327 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 171' ' ' SER . . . . . 0.47 ' O ' ' CB ' ' A' ' 175' ' ' SER . 0.1 OUTLIER -62.3 -20.96 64.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.028 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.484 ' HB3' ' CD1' ' A' ' 151' ' ' LEU . 17.1 mt -86.99 -39.15 15.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.583 1.177 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -71.02 -7.72 48.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 174' ' ' TYR . . . . . 0.449 ' OH ' ' NE2' ' A' ' 186' ' ' GLN . 20.7 t80 -116.0 -63.12 1.5 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.426 1.079 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 175' ' ' SER . . . . . 0.47 ' CB ' ' O ' ' A' ' 171' ' ' SER . 19.8 m -50.0 -44.49 51.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.025 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . 0.466 ' HB3' ' CB ' ' A' ' 137' ' ' LEU . 4.7 m-80 -105.13 65.23 0.73 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 178' ' ' ASN . . . -138.77 141.61 38.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . 0.459 ' ND2' ' H ' ' A' ' 181' ' ' CYS . 15.6 p-10 -53.32 -173.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -78.95 -55.59 5.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.0 -36.45 3.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 181' ' ' CYS . . . . . 0.459 ' H ' ' ND2' ' A' ' 178' ' ' ASN . 11.1 t -71.8 -71.7 0.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 108.352 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -40.64 -38.11 0.83 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 0.0 110.255 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.65 -46.11 55.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.579 1.175 . . . . 0.0 109.339 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . 0.567 HD11 ' CD1' ' A' ' 205' ' ' TRP . 3.0 tt -55.82 -53.0 62.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . 0.497 ' CD1' ' SD ' ' A' ' 198' ' ' MET . 10.7 mt -49.31 -50.17 40.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.252 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . 0.449 ' NE2' ' OH ' ' A' ' 174' ' ' TYR . 0.5 OUTLIER -59.51 -60.75 3.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.337 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -49.71 -45.93 49.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . 0.454 ' CD ' ' HB3' ' A' ' 201' ' ' ALA . 1.2 tpm_? -49.44 -48.23 47.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 110.36 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 109.14 44.44 1.09 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.554 1.159 . . . . 0.0 111.051 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . 0.54 ' CD2' ' HB3' ' A' ' 197' ' ' ASP . 0.0 OUTLIER -174.18 117.09 0.22 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.409 0.711 . . . . 0.0 109.604 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 2.0 p -120.45 -54.66 2.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 110.364 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 192' ' ' ASN . . . . . 0.404 ' HA ' ' CZ ' ' A' ' 170' ' ' ARG . 8.7 m120 -92.39 43.88 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 193' ' ' SER . . . . . 0.47 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.2 OUTLIER -104.38 176.83 1.59 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.026 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . 0.47 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.5 Cg_endo -74.98 144.83 30.81 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.555 1.818 . . . . 0.0 111.049 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . 0.408 ' HG ' ' CD2' ' A' ' 199' ' ' LEU . 3.8 tp -41.89 -37.89 1.41 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -46.98 -40.1 12.26 Favored Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.58 1.175 . . . . 0.0 110.989 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . 0.54 ' HB3' ' CD2' ' A' ' 190' ' ' HIS . 1.0 OUTLIER -77.6 -38.35 48.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 0.779 . . . . 0.0 109.3 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 198' ' ' MET . . . . . 0.497 ' SD ' ' CD1' ' A' ' 185' ' ' LEU . 36.4 tpp -53.31 -51.46 62.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 199' ' ' LEU . . . . . 0.408 ' CD2' ' HG ' ' A' ' 195' ' ' LEU . 3.2 mm? -68.99 -29.08 67.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.51 -7.57 56.45 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.532 1.145 . . . . 0.0 110.336 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ALA . . . . . 0.454 ' HB3' ' CD ' ' A' ' 188' ' ' ARG . . . -97.24 -41.14 8.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.583 1.177 . . . . 0.0 109.349 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 202' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 204' ' ' THR . 20.3 p -79.62 -24.06 42.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 108.334 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 203' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 202' ' ' CYS . 15.6 pt20 -37.62 -31.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 204' ' ' THR . . . . . 0.455 ' N ' ' O ' ' A' ' 202' ' ' CYS . 4.6 t -114.24 -54.09 2.61 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.454 1.096 . . . . 0.0 110.384 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 205' ' ' TRP . . . . . 0.601 ' CD1' ' O ' ' A' ' 205' ' ' TRP . 5.1 t90 40.09 54.47 2.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 108.006 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 206' ' ' THR . . . . . 0.422 ' OG1' ' OG1' ' A' ' 204' ' ' THR . 0.2 OUTLIER -146.86 151.27 41.61 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.408 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 154.25 42.3 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.448 1.762 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 208' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.92 -57.41 2.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.51 175.99 1.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 1.1 mtpm? -125.14 142.83 51.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 109.285 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 7.2 t -126.36 143.75 51.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.573 1.171 . . . . 0.0 110.412 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.85 137.65 33.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.582 1.176 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 213' ' ' VAL . . . . . . . . . . . . . 87.1 t -121.81 72.1 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.267 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 214' ' ' LEU . . . . . . . . . . . . . 7.1 tt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.416 1.073 . . . . 0.0 109.223 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 13.4 p-80 -174.89 164.05 3.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.615 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 55.9 p-80 -175.4 166.76 3.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.102 . . . . 0.0 109.616 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -175.97 155.6 1.63 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.1 . . . . 0.0 109.577 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 66.0 t60 -175.77 143.74 0.6 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 109.593 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.3 p -177.49 157.99 1.35 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 109.98 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.18 169.11 0.99 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.02 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 144.22 138.87 3.41 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.531 1.144 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -179.3 158.79 0.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 0.747 . . . . 0.0 109.642 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -172.9 147.08 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -174.74 174.09 2.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.411 1.069 . . . . 0.0 110.358 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -135.13 -151.27 6.22 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.533 1.145 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -161.69 100.01 1.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 0.767 . . . . 0.0 110.313 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -177.66 64.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.63 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.589 ' SD ' ' CZ ' ' A' ' 48' ' ' PHE . 1.0 OUTLIER 40.15 88.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.079 . . . . 0.0 110.981 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.5 pm0 -102.4 159.26 15.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 110.286 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -43.17 -27.34 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.22 -48.78 72.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.361 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -57.88 -59.52 5.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.567 ' HB3' ' CE2' ' A' ' 61' ' ' TYR . 33.1 mt -46.64 -43.82 17.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -57.01 -58.69 7.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.77 -43.65 69.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.348 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.423 ' HA ' ' CG ' ' A' ' 26' ' ' GLU . 91.2 mt -56.51 -58.16 6.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -45.08 -30.77 1.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -72.69 -69.85 0.38 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.423 ' CG ' ' HA ' ' A' ' 23' ' ' ILE . 4.7 pt-20 -48.75 -23.02 0.91 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 0.0 110.266 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 36.2 t -82.96 -39.29 15.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.532 1.145 . . . . 0.0 109.26 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.26 -26.39 67.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.979 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.67 -34.75 52.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 110.306 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.46 ' CB ' ' HB3' ' A' ' 36' ' ' GLN . . . -52.37 166.71 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -110.19 162.98 18.29 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.43 ' CB ' ' O ' ' A' ' 129' ' ' LYS . 18.4 Cg_endo -74.93 116.6 4.64 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.612 1.848 . . . . 0.0 111.034 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.17 42.93 11.24 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.528 1.143 . . . . 0.0 111.026 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.2 m -135.51 151.04 73.88 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.469 0.747 . . . . 0.0 109.926 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 50.76 2.61 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.555 1.818 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.46 ' HB3' ' CB ' ' A' ' 30' ' ' ALA . 0.5 OUTLIER -121.32 -46.16 2.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.319 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -68.51 -65.25 0.72 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.33 -48.3 55.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.379 1.05 . . . . 0.0 111.054 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -51.68 -46.93 64.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -55.42 -30.64 60.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.424 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.472 HG22 ' CD2' ' A' ' 118' ' ' LEU . 2.7 mm -72.8 -32.11 39.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -80.76 -30.31 36.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.273 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.8 tp -71.04 -33.99 70.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.576 1.172 . . . . 0.0 109.272 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.43 -38.66 59.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.265 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.402 ' HA ' ' CD ' ' A' ' 50' ' ' PRO . 1.2 t -69.37 -17.15 21.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -102.29 -22.61 14.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.416 ' CA ' ' OE1' ' A' ' 47' ' ' GLN . 0.3 OUTLIER -69.96 -68.45 0.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 110.312 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.589 ' CZ ' ' SD ' ' A' ' 15' ' ' MET . 8.7 p90 -114.21 -33.22 5.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' A' ' 48' ' ' PHE . 0.5 OUTLIER 81.75 94.9 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 109.261 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.402 ' CD ' ' HA ' ' A' ' 45' ' ' VAL . 18.4 Cg_endo -75.06 120.6 6.12 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.521 1.8 . . . . 0.0 111.004 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.6 p -59.21 -175.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.387 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.418 ' HB3' ' CE1' ' A' ' 113' ' ' TYR . . . -61.78 -45.12 95.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -55.94 -55.27 34.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -52.88 -52.93 55.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.257 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.517 HD13 ' CG ' ' A' ' 117' ' ' TRP . 17.4 mt -48.39 -38.74 20.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.1 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.64 -57.88 10.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 110.318 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.424 ' C ' ' N ' ' A' ' 59' ' ' LEU . 44.8 t0 -63.4 -55.29 25.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.43 HD12 ' CD2' ' A' ' 20' ' ' LEU . 34.6 tp -42.6 -28.3 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.424 ' N ' ' C ' ' A' ' 57' ' ' ASP . 19.8 tp -73.34 -51.91 15.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.487 ' OE1' ' CB ' ' A' ' 68' ' ' ALA . 1.1 tp-100 -87.94 22.45 2.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 88.5 t80 -120.05 -31.99 4.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.94 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.4 mt -101.67 -63.84 1.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.35 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.423 ' SG ' ' O ' ' A' ' 59' ' ' LEU . 28.4 p -88.69 162.07 16.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.082 . . . . 0.0 108.371 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.69 -160.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.02 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 46.7 t -85.71 -43.5 13.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 110.059 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.3 tp -49.52 -71.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -46.96 -46.54 8.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.228 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.487 ' CB ' ' OE1' ' A' ' 60' ' ' GLN . . . -48.8 -46.16 41.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.3 p -67.07 -43.08 83.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.585 1.178 . . . . 0.0 110.01 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 71.1 mt -54.99 -51.48 66.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.337 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.493 ' ND1' ' CB ' ' A' ' 120' ' ' ALA . 0.2 OUTLIER -53.79 -46.5 71.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.558 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.441 ' HD1' ' CD2' ' A' ' 71' ' ' HIS . 0.0 OUTLIER -58.99 -19.42 43.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.604 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -73.33 -66.24 0.71 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.331 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.38 -27.19 69.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.469 HD22 ' CD2' ' A' ' 116' ' ' LEU . 1.9 tm? -71.72 -32.72 68.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 109.233 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -66.57 -50.04 64.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 109.297 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.62 -47.86 83.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 110.016 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 24.3 tp -49.39 -49.28 45.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.476 HD13 ' CD2' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -56.26 -48.82 78.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.9 t -46.29 -29.24 1.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.08 . . . . 0.0 109.996 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -77.04 -38.89 51.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.304 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 79' ' ' ILE . . . -65.16 -61.06 2.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -52.06 -33.93 41.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.226 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.5 m -63.04 -42.46 99.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 110.418 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -81.14 -0.52 40.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.258 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 87' ' ' ILE . . . 84.04 -11.23 58.16 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.427 1.079 . . . . 0.0 110.958 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.455 ' HB ' ' CB ' ' A' ' 90' ' ' TYR . 38.5 mt 59.73 154.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 0.767 . . . . 0.0 109.317 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.427 ' C ' ' O ' ' A' ' 87' ' ' ILE . 0.1 OUTLIER -36.42 -82.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.426 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -131.51 57.48 0.72 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.538 1.149 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.455 ' CB ' ' HB ' ' A' ' 87' ' ' ILE . 84.1 t80 -86.07 143.53 28.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.612 0.831 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.411 ' O ' ' NE2' ' A' ' 100' ' ' GLN . 0.5 OUTLIER -110.49 99.75 42.23 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 -19.58 17.52 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.499 1.789 . . . . 0.0 110.943 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.503 ' CD2' ' C ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -60.16 -35.52 75.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.407 1.067 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.466 ' N ' ' CD1' ' A' ' 93' ' ' LEU . . . -58.51 -68.23 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.24 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.431 ' N ' ' CD ' ' A' ' 96' ' ' PRO . . . 134.96 -55.24 0.73 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.455 1.097 . . . . 0.0 110.936 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.431 ' CD ' ' N ' ' A' ' 95' ' ' GLY . 18.3 Cg_endo -74.96 171.09 18.99 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.467 1.772 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.476 ' CD2' HD13 ' A' ' 79' ' ' ILE . 14.0 tp -119.99 -53.82 2.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.457 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 0.0 OUTLIER -49.57 -33.05 13.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.348 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 15.4 t -62.3 -28.18 44.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.428 1.08 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 97' ' ' LEU . 10.7 mm-40 -82.37 -32.83 29.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.395 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.509 ' HB3' ' CD2' ' A' ' 113' ' ' TYR . . . -71.25 -44.76 64.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 98' ' ' ARG . 24.0 p30 -94.94 32.09 1.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -105.4 124.24 37.0 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.167 . . . . 0.0 109.283 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -16.98 19.81 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.477 1.777 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -73.43 -16.18 61.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -149.64 79.73 1.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.259 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -69.05 -8.74 47.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 110.293 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -61.88 -57.69 16.28 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.424 ' HG ' ' CG2' ' A' ' 87' ' ' ILE . 0.4 OUTLIER -67.33 -29.74 69.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 0.805 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -55.36 -43.59 75.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -72.94 -43.32 62.48 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.477 1.11 . . . . 0.0 110.272 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -57.69 -40.18 78.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.257 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.509 ' CD2' ' HB3' ' A' ' 101' ' ' ALA . 26.4 t80 -65.94 -40.87 91.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -57.93 -42.46 84.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 110.318 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -76.22 -45.27 33.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 110.333 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.469 ' CD2' HD22 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -56.18 -36.4 68.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.535 ' CZ2' ' CE1' ' A' ' 121' ' ' PHE . 90.5 t90 -67.09 -47.4 71.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 107.97 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.472 ' CD2' HG22 ' A' ' 41' ' ' ILE . 84.4 mt -60.15 -33.05 71.63 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.477 1.11 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -58.44 -48.01 82.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.493 ' CB ' ' ND1' ' A' ' 71' ' ' HIS . . . -67.24 -30.42 70.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.535 ' CE1' ' CZ2' ' A' ' 117' ' ' TRP . 0.4 OUTLIER -72.19 -17.77 61.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.425 1.078 . . . . 0.0 111.031 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -117.64 6.71 12.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -99.32 -1.73 38.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 77.2 mt -63.02 151.14 86.79 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.27 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -3.17 13.53 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.541 1.811 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.426 ' O ' ' N ' ' A' ' 128' ' ' ALA . . . -177.22 65.37 0.09 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.454 1.096 . . . . 0.0 110.939 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.479 ' O ' ' CB ' ' A' ' 128' ' ' ALA . 93.7 p -67.0 69.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 0.726 . . . . 0.0 110.012 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.479 ' CB ' ' O ' ' A' ' 127' ' ' SER . . . 164.46 -169.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.43 ' O ' ' CB ' ' A' ' 32' ' ' PRO . 0.0 OUTLIER -155.41 -163.24 1.49 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.588 1.18 . . . . 0.0 109.343 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 176.07 79.28 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.583 1.177 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 117.13 4.8 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.42 1.747 . . . . 0.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.5 m -74.36 -29.44 61.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.989 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.446 ' HA ' ' CD1' ' A' ' 136' ' ' ILE . 13.2 p-90 -70.87 -10.12 58.99 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.61 -11.14 59.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.579 1.174 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 24.7 m -129.84 28.95 5.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.048 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.446 ' CD1' ' HA ' ' A' ' 133' ' ' TRP . 39.6 mt -117.23 118.36 58.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.47 ' CB ' ' HB3' ' A' ' 176' ' ' ASN . 0.0 OUTLIER -138.12 146.85 43.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . 0.608 ' OE1' ' CD2' ' A' ' 144' ' ' TYR . 0.3 OUTLIER -66.74 127.12 31.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.31 -179.907 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . 0.434 ' O ' ' NE2' ' A' ' 138' ' ' GLN . . . -91.26 135.76 12.97 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.421 ' HB3' ' ND2' ' A' ' 178' ' ' ASN . 0.0 OUTLIER -49.38 -42.69 42.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 0.0 109.342 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -95.83 38.16 1.18 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -136.28 159.98 68.7 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.42 1.075 . . . . 0.0 110.269 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 116.61 4.64 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.469 1.773 . . . . 0.0 111.031 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . 0.608 ' CD2' ' OE1' ' A' ' 138' ' ' GLN . 0.4 OUTLIER -66.35 -54.58 22.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.408 1.067 . . . . 0.0 111.044 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . 0.467 ' HA ' ' CD1' ' A' ' 199' ' ' LEU . 2.3 t-160 -52.9 -47.61 67.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.553 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -62.53 -41.14 98.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.09 . . . . 0.0 109.335 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . 0.513 ' CD2' ' HG3' ' A' ' 138' ' ' GLN . 3.1 t80 -61.53 -50.28 73.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 46.0 t -48.98 -40.76 12.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.118 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -66.44 -65.06 0.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.407 1.067 . . . . 0.0 110.367 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -45.59 -37.98 6.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.406 ' CD1' ' HB3' ' A' ' 172' ' ' LEU . 0.2 OUTLIER -59.78 -47.78 84.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 -64.84 -37.34 87.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.35 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 26.1 mt -62.33 -57.61 11.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.38 1.05 . . . . 0.0 109.253 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -56.03 -21.61 22.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.575 1.172 . . . . 0.0 109.35 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 0.5 ' O ' ' CB ' ' A' ' 159' ' ' LEU . 5.8 mt -86.28 -20.73 27.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -83.57 -13.03 55.36 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -113.14 -9.6 13.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.226 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -121.94 -43.91 0.39 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.453 1.096 . . . . 0.0 111.019 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.5 ' CB ' ' O ' ' A' ' 155' ' ' LEU . 0.2 OUTLIER -79.85 114.42 46.03 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.486 0.756 . . . . 0.0 109.29 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.15 174.16 13.27 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.473 1.775 . . . . 0.0 110.958 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.53 -17.97 46.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 110.268 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -82.34 1.69 86.74 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.489 1.118 . . . . 0.0 111.035 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 2.9 m -129.0 146.16 59.57 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.494 0.761 . . . . 0.0 110.424 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 113.63 3.84 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.504 1.792 . . . . 0.0 110.952 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . 0.47 ' CD ' ' C ' ' A' ' 165' ' ' LYS . 0.1 OUTLIER -101.67 -32.35 10.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . 0.518 ' CB ' ' HD3' ' A' ' 167' ' ' PRO . 0.2 OUTLIER -43.11 -53.67 10.32 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 -179.894 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 167' ' ' PRO . . . . . 0.518 ' HD3' ' CB ' ' A' ' 166' ' ' ASP . 18.4 Cg_endo -74.94 -50.02 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.498 1.788 . . . . 0.0 111.065 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . 0.445 HG21 ' CD1' ' A' ' 172' ' ' LEU . 0.1 OUTLIER -45.4 -39.81 2.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 21.4 tp -59.24 -64.08 1.07 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.15 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . 0.434 ' CD ' ' O ' ' A' ' 166' ' ' ASP . 9.7 mpt_? -51.39 -34.91 36.43 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 0.0 110.301 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.29 -29.63 65.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.081 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.445 ' CD1' HG21 ' A' ' 168' ' ' ILE . 5.2 mt -79.03 -45.52 20.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.357 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -70.58 -9.95 58.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 109.236 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 174' ' ' TYR . . . . . 0.428 ' O ' ' CG ' ' A' ' 182' ' ' GLN . 61.1 t80 -99.02 -69.08 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.654 1.221 . . . . 0.0 111.027 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.63 -49.43 77.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 110.06 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . 0.47 ' HB3' ' CB ' ' A' ' 137' ' ' LEU . 0.9 OUTLIER -89.61 57.06 3.78 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.45 1.094 . . . . 0.0 109.326 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -133.68 139.88 46.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.237 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 179' ' ' LYS . 14.8 t30 -40.06 158.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . 0.451 ' N ' ' OD1' ' A' ' 178' ' ' ASN . 0.3 OUTLIER -64.57 -42.77 95.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . 0.423 ' HB3' ' ND2' ' A' ' 178' ' ' ASN . 0.5 OUTLIER -68.5 -23.32 64.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.265 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 181' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 184' ' ' LEU . 39.4 m -79.47 -64.13 1.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 108.261 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . 0.428 ' CG ' ' O ' ' A' ' 174' ' ' TYR . 1.6 mt-30 -41.43 -33.52 0.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.241 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -75.22 -47.18 29.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.265 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . 0.478 ' O ' ' CD2' ' A' ' 184' ' ' LEU . 1.5 tt -52.3 -33.67 43.26 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.579 1.175 . . . . 0.0 109.334 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . 0.473 ' CD2' ' NE2' ' A' ' 190' ' ' HIS . 6.0 mt -68.67 -63.14 1.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.086 . . . . 0.0 109.308 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -50.06 -52.75 31.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.288 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -50.62 -50.04 55.19 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.468 1.105 . . . . 0.0 109.241 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . 0.474 ' HG3' ' CD2' ' A' ' 184' ' ' LEU . 0.2 OUTLIER -57.91 -17.66 18.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 61.29 44.29 98.27 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.467 1.104 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . 0.58 ' CG ' ' O ' ' A' ' 190' ' ' HIS . 1.0 OUTLIER -139.5 36.85 2.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.758 . . . . 0.0 109.549 -179.899 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.31 -46.3 90.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.392 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -91.77 63.8 4.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.241 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 193' ' ' SER . . . . . 0.438 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.4 OUTLIER -137.19 175.39 3.51 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.032 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . 0.438 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.5 Cg_endo -74.98 -174.28 1.87 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.509 1.794 . . . . 0.0 110.993 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 198' ' ' MET . 8.8 tp -75.67 -42.36 51.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -43.92 -36.31 3.7 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.487 1.117 . . . . 0.0 111.036 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . 0.491 ' HB3' ' CE1' ' A' ' 190' ' ' HIS . 16.7 t0 -78.17 -36.05 47.99 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.497 0.763 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 198' ' ' MET . . . . . 0.461 ' SD ' ' CD1' ' A' ' 185' ' ' LEU . 44.6 tpp -57.43 -32.94 67.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.985 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 199' ' ' LEU . . . . . 0.467 ' CD1' ' HA ' ' A' ' 145' ' ' HIS . 2.0 mm? -83.03 -31.05 27.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 9.9 mtp180 -75.4 -8.96 58.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -100.92 -32.4 10.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.345 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 202' ' ' CYS . . . . . 0.459 ' CB ' ' CD2' ' A' ' 144' ' ' TYR . 9.3 p -87.6 -16.35 34.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 108.289 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 203' ' ' GLN . . . . . 0.421 ' HG3' ' N ' ' A' ' 204' ' ' THR . 11.8 pt20 -53.05 -42.38 65.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.363 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 204' ' ' THR . . . . . 0.421 ' N ' ' HG3' ' A' ' 203' ' ' GLN . 0.0 OUTLIER -83.08 -10.35 58.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 110.415 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 205' ' ' TRP . . . . . . . . . . . . . 16.6 t90 -71.05 61.16 0.27 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 206' ' ' THR . . . . . . . . . . . . . 7.8 t -133.02 145.79 58.5 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.41 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 155.73 43.0 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.46 1.768 . . . . 0.0 111.01 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 208' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt 57.37 102.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.63 174.21 11.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 7.9 pttt -118.33 -45.31 2.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 17.0 p -81.68 137.29 35.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.429 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 3.4 tttt -87.94 -64.94 1.07 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 213' ' ' VAL . . . . . . . . . . . . . 78.3 t -132.41 -62.68 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 214' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 -159.52 174.81 14.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 109.604 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -168.5 174.79 6.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.42 1.075 . . . . 0.0 109.66 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -174.07 174.87 2.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.62 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 12.5 p-80 -172.78 174.7 3.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.55 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.97 168.87 0.74 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.939 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.93 170.44 0.7 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.035 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -175.94 171.78 44.81 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.503 1.127 . . . . 0.0 110.962 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -178.83 174.83 1.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 0.747 . . . . 0.0 109.673 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.8 pt -137.46 177.05 6.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.263 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -125.72 -59.69 1.34 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.528 1.143 . . . . 0.0 110.25 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.55 -142.31 10.07 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.45 1.094 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.6 100.33 4.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 0.741 . . . . 0.0 110.295 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.561 ' CE1' HG22 ' A' ' 51' ' ' THR . 0.0 OUTLIER -176.33 63.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 109.612 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.593 ' CE ' ' CD2' ' A' ' 20' ' ' LEU . 2.9 ttt 53.79 100.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.457 1.098 . . . . 0.0 111.029 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.446 ' HG3' ' N ' ' A' ' 17' ' ' MET . 26.2 tp60 -79.8 145.44 32.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.142 . . . . 0.0 110.279 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.446 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -42.14 -39.91 2.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 110.978 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 pttp -58.09 -45.65 86.81 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.559 1.162 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 16' ' ' GLN . 13.5 m-20 -51.98 -49.1 63.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.593 ' CD2' ' CE ' ' A' ' 15' ' ' MET . 6.4 mt -63.14 -29.01 70.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.443 ' NE2' ' O ' ' A' ' 17' ' ' MET . 1.0 OUTLIER -70.92 -48.93 50.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.7 -33.1 71.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.426 HG21 ' CD1' ' A' ' 62' ' ' LEU . 22.9 mt -66.94 -57.74 8.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 0.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.4 tttm -45.55 -26.26 0.56 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.42 ' N ' ' C ' ' A' ' 23' ' ' ILE . 0.6 OUTLIER -74.03 -67.96 0.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.284 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -53.61 -21.19 6.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.333 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.444 HG21 ' CG2' ' A' ' 40' ' ' THR . 45.1 t -80.86 -47.36 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.353 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.5 t -49.22 -33.33 12.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.982 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.44 -35.57 73.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -48.73 167.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.68 162.43 24.29 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 107.42 2.48 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.508 1.794 . . . . 0.0 110.937 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 69.6 46.96 52.47 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.57 1.169 . . . . 0.0 111.037 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.9 160.07 61.07 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 109.961 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 48.91 2.11 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.535 1.808 . . . . 0.0 111.036 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -121.67 -51.85 2.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.272 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.566 ' CE1' HD13 ' A' ' 41' ' ' ILE . 5.2 t80 -58.93 -56.77 17.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.171 . . . . 0.0 110.964 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.475 ' CE ' HD23 ' A' ' 118' ' ' LEU . 2.9 tpt -51.03 -40.69 58.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.171 . . . . 0.0 111.013 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -57.75 -39.44 77.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.444 ' CG2' HG21 ' A' ' 27' ' ' VAL . 1.1 m -66.04 -26.41 67.5 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.571 1.169 . . . . 0.0 110.41 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.566 HD13 ' CE1' ' A' ' 37' ' ' PHE . 21.9 mm -67.92 -40.57 83.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.359 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.2 mpp_? -69.12 -34.44 75.05 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.493 1.121 . . . . 0.0 110.315 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 35.1 tp -63.35 -44.66 94.21 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.54 -50.78 41.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 109.253 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.452 HG11 ' CD1' ' A' ' 118' ' ' LEU . 0.3 OUTLIER -58.68 -17.27 10.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.474 1.109 . . . . 0.0 109.261 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -96.43 -22.46 17.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 110.318 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -69.34 -70.21 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.28 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.568 ' CZ ' ' HG3' ' A' ' 15' ' ' MET . 9.5 p90 -111.64 -34.57 6.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.085 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.513 ' CB ' ' O ' ' A' ' 48' ' ' PHE . 2.4 t70 82.94 91.72 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.271 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.424 ' CD ' ' HA ' ' A' ' 45' ' ' VAL . 18.3 Cg_endo -74.99 128.17 11.28 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.522 1.801 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.561 HG22 ' CE1' ' A' ' 14' ' ' HIS . 7.7 t -69.09 -173.81 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 110.375 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.437 ' HB2' ' CZ ' ' A' ' 113' ' ' TYR . . . -54.91 -48.35 73.18 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.443 1.09 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.4 -58.34 7.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.315 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -56.67 -49.42 75.12 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.537 ' CD1' ' CG ' ' A' ' 117' ' ' TRP . 18.0 mt -53.07 -32.39 46.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -63.58 1.22 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.472 1.107 . . . . 0.0 110.34 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.481 ' O ' ' CB ' ' A' ' 61' ' ' TYR . 0.1 OUTLIER -56.82 -45.16 82.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 0.0 109.349 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.1 tp -52.77 -25.17 10.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.445 HD21 ' CD2' ' A' ' 71' ' ' HIS . 20.3 tp -77.19 -52.5 9.14 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.36 24.28 2.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.481 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 50.0 t80 -120.51 -44.87 2.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 110.988 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.426 ' CD1' HG21 ' A' ' 23' ' ' ILE . 5.0 mt -106.32 -61.21 1.55 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.483 ' HB3' ' CG1' ' A' ' 67' ' ' VAL . 8.8 m -59.84 168.08 1.92 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 108.32 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 78.9 p -92.51 175.88 6.66 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.612 1.195 . . . . 0.0 109.996 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.4 t -59.78 -68.68 0.26 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.134 . . . . 0.0 110.011 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -42.84 -55.79 3.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.348 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.483 ' CG1' ' HB3' ' A' ' 63' ' ' CYS . 2.1 t -47.81 -49.0 11.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.07 -40.77 74.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.305 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.1 m -65.7 -43.42 89.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.009 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 59.0 mt -60.99 -56.19 24.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.238 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.445 ' CD2' HD21 ' A' ' 59' ' ' LEU . 2.2 t60 -54.16 -49.95 68.11 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 109.626 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -46.71 -43.16 17.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.684 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.63 -61.61 2.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.584 1.177 . . . . 0.0 110.272 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.494 ' OE1' ' CB ' ' A' ' 123' ' ' ALA . 2.8 mt-30 -52.41 -30.36 28.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 110.341 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.481 ' CD1' ' CD1' ' A' ' 79' ' ' ILE . 0.2 OUTLIER -66.93 -49.53 65.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -54.8 -48.05 73.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 33.7 t -67.59 -27.55 67.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 110.0 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.477 ' HB3' ' CD1' ' A' ' 116' ' ' LEU . 0.9 OUTLIER -66.32 -68.65 0.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.246 -179.934 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.481 ' CD1' ' CD1' ' A' ' 75' ' ' LEU . 1.5 mp -44.73 -45.3 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.426 1.079 . . . . 0.0 109.219 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.406 ' O ' ' CB ' ' A' ' 84' ' ' THR . 33.2 t -51.09 -36.81 42.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.942 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 78' ' ' LEU . 5.9 tt0 -69.71 -41.19 75.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.31 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.486 ' HB1' ' CG1' ' A' ' 87' ' ' ILE . . . -61.31 -56.61 18.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.407 1.067 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -60.15 -44.42 95.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.406 ' CB ' ' O ' ' A' ' 80' ' ' SER . 5.5 m -58.05 -47.52 82.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.434 1.084 . . . . 0.0 110.432 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.26 -2.85 23.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 68.1 82.68 0.16 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.493 1.12 . . . . 0.0 111.008 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.486 ' CG1' ' HB1' ' A' ' 82' ' ' ALA . 8.1 mt -43.93 164.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.475 0.75 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.471 ' N ' ' CG2' ' A' ' 87' ' ' ILE . 7.7 t -72.69 -54.59 8.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.393 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.406 ' N ' ' CG2' ' A' ' 88' ' ' THR . . . -133.85 71.2 0.5 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.509 1.131 . . . . 0.0 110.966 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.576 ' CG ' ' N ' ' A' ' 91' ' ' ASN . 49.4 t80 -112.55 172.95 6.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 0.771 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.576 ' N ' ' CG ' ' A' ' 90' ' ' TYR . 12.6 p-10 -136.09 122.0 13.74 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 1.64 7.51 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.47 1.774 . . . . 0.0 110.965 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.519 ' O ' ' CD2' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -95.67 -7.16 38.24 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.493 ' O ' ' C ' ' A' ' 95' ' ' GLY . . . -109.83 59.87 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.079 . . . . 0.0 109.381 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.493 ' C ' ' O ' ' A' ' 94' ' ' ALA . . . -30.36 -55.4 0.23 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.529 1.143 . . . . 0.0 111.077 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.412 ' CD ' ' N ' ' A' ' 95' ' ' GLY . 18.1 Cg_endo -75.12 99.63 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.484 1.781 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.468 HD21 ' CG1' ' A' ' 79' ' ' ILE . 8.3 tp -60.26 -15.21 22.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.452 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 36.3 ptt-85 -76.66 0.61 19.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 18.9 t -96.83 -55.16 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.445 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 6.5 pm0 -75.85 -0.05 19.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.34 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.413 ' HB3' ' CD2' ' A' ' 113' ' ' TYR . . . -94.68 -19.46 20.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.22 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 98' ' ' ARG . 10.2 m-20 -94.06 -5.12 48.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 109.349 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -88.24 119.79 70.38 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -4.77 15.9 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.493 1.786 . . . . 0.0 111.0 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -67.31 -51.52 51.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.591 1.182 . . . . 0.0 110.318 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.445 ' NE2' ' O ' ' A' ' 100' ' ' GLN . 5.4 pt20 -100.13 71.82 1.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.289 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -14.04 15.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.423 1.077 . . . . 0.0 110.3 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -60.85 -57.29 19.57 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.511 1.132 . . . . 0.0 110.94 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.41 ' CD1' HG23 ' A' ' 87' ' ' ILE . 0.8 OUTLIER -75.2 -45.58 39.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 0.776 . . . . 0.0 109.315 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 17.2 ttt180 -41.17 -42.5 2.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.23 -44.5 29.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.241 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.402 ' O ' ' OE2' ' A' ' 112' ' ' GLU . 8.9 tp10 -56.24 -25.32 47.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.265 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.437 ' CZ ' ' HB2' ' A' ' 52' ' ' ALA . 1.9 t80 -81.5 -49.93 10.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 111.003 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -49.11 -43.0 41.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 110.336 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.42 -33.15 64.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.477 ' CD1' ' HB3' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -68.47 -30.25 69.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.791 ' CZ2' ' CE1' ' A' ' 121' ' ' PHE . 70.8 t90 -68.54 -57.57 5.58 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.475 HD23 ' CE ' ' A' ' 38' ' ' MET . 28.5 mt -51.71 -29.01 16.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.13 -62.04 2.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.464 ' CB ' HD23 ' A' ' 75' ' ' LEU . . . -56.69 -24.04 46.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.559 1.162 . . . . 0.0 109.342 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.791 ' CE1' ' CZ2' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -74.58 -45.52 44.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -87.36 8.19 25.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.494 ' CB ' ' OE1' ' A' ' 74' ' ' GLN . . . -97.66 0.67 47.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.263 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 78.3 mt -70.88 153.93 94.52 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.229 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 -6.25 17.76 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.459 1.768 . . . . 0.0 111.009 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -111.12 -47.09 0.78 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.488 1.118 . . . . 0.0 111.002 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.77 60.71 2.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 0.766 . . . . 0.0 110.066 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 170.23 64.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.417 1.073 . . . . 0.0 109.285 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -153.67 164.62 37.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -172.97 91.82 0.38 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . 0.476 ' HB3' ' CZ2' ' A' ' 133' ' ' TRP . 18.2 Cg_endo -75.02 114.3 3.99 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.492 1.785 . . . . 0.0 111.02 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.42 -41.79 79.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.003 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.54 ' CZ2' ' CD2' ' A' ' 159' ' ' LEU . 11.8 p-90 -57.65 -18.7 21.77 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.63 -14.65 21.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 109.257 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 11.9 p -129.29 35.48 4.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.976 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.473 ' CD1' ' HA ' ' A' ' 133' ' ' TRP . 62.5 mt -123.25 119.03 56.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.599 ' O ' ' CZ ' ' A' ' 147' ' ' PHE . 0.2 OUTLIER -136.44 -176.74 4.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.432 1.083 . . . . 0.0 109.345 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . 0.459 ' CG ' ' HA ' ' A' ' 144' ' ' TYR . 0.0 OUTLIER -105.62 115.21 29.86 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.441 1.088 . . . . 0.0 110.325 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -74.4 145.93 35.18 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.568 1.168 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -57.58 -18.46 19.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 0.787 . . . . 0.0 109.307 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -129.68 47.15 2.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 110.316 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -139.32 159.68 65.09 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 109.94 3.02 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.427 1.751 . . . . 0.0 110.926 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . 0.596 ' CD1' ' CB ' ' A' ' 202' ' ' CYS . 0.9 OUTLIER -69.06 -44.35 72.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 110.991 179.91 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . 0.461 ' CD2' ' C ' ' A' ' 145' ' ' HIS . 0.5 OUTLIER -57.0 -54.1 50.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.657 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -56.51 -50.03 73.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . 0.599 ' CZ ' ' O ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -47.5 -42.23 22.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 111.034 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 38.5 t -60.56 -40.71 85.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.04 -56.12 24.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 110.266 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 17.2 mtt180 -59.87 -35.33 74.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.155 . . . . 0.0 110.33 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.475 ' HB3' ' CD1' ' A' ' 169' ' ' LEU . 1.7 mt -55.39 -48.32 74.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -60.33 -34.59 74.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.36 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' A' ' 156' ' ' ASP . 5.8 mt -67.64 -63.97 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.422 1.076 . . . . 0.0 109.288 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -52.59 -21.91 4.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 0.494 ' O ' ' CB ' ' A' ' 159' ' ' LEU . 15.6 mt -86.22 -28.05 24.1 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.242 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 153' ' ' ILE . 0.8 OUTLIER -79.48 -7.7 58.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.439 1.087 . . . . 0.0 109.32 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -112.73 -30.67 7.0 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.427 1.079 . . . . 0.0 109.311 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -102.31 -43.17 2.07 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.54 ' CD2' ' CZ2' ' A' ' 133' ' ' TRP . 0.2 OUTLIER -79.63 114.68 47.72 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.521 0.777 . . . . 0.0 109.245 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -169.1 0.58 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.42 1.748 . . . . 0.0 111.007 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -95.71 -14.67 23.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 110.258 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -93.65 18.36 56.66 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.476 1.11 . . . . 0.0 111.03 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 3.9 m -138.28 145.85 48.98 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.487 0.757 . . . . 0.0 110.43 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 109.84 3.0 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.52 1.8 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.03 -33.39 10.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.34 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . 0.514 ' CB ' ' HD3' ' A' ' 167' ' ' PRO . 0.1 OUTLIER -41.88 -53.28 8.19 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.429 1.08 . . . . 0.0 109.284 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 167' ' ' PRO . . . . . 0.514 ' HD3' ' CB ' ' A' ' 166' ' ' ASP . 18.4 Cg_endo -75.04 -48.8 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.448 1.762 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . 0.432 ' CG2' HD22 ' A' ' 155' ' ' LEU . 0.4 OUTLIER -47.96 -43.56 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.329 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . 0.475 ' CD1' ' HB3' ' A' ' 151' ' ' LEU . 26.3 tp -60.52 -63.85 1.16 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 13.1 mtm105 -47.7 -23.66 0.75 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.257 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.58 -54.38 6.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 109.954 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.455 ' CB ' HD13 ' A' ' 151' ' ' LEU . 0.7 OUTLIER -65.01 -12.93 55.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.34 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -89.96 -36.6 14.89 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.095 . . . . 0.0 109.262 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 174' ' ' TYR . . . . . 0.442 ' O ' ' C ' ' A' ' 175' ' ' SER . 11.8 t80 -113.81 -71.94 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 110.97 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 175' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 174' ' ' TYR . 23.5 t -35.63 -39.34 0.14 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.449 1.093 . . . . 0.0 109.982 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -110.74 60.27 0.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.267 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 174' ' ' TYR . . . -134.61 152.6 51.89 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . 0.435 ' OD1' ' NE2' ' A' ' 138' ' ' GLN . 4.7 p-10 -53.44 -174.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.38 -42.4 25.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.37 -21.37 62.07 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.138 . . . . 0.0 110.257 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 181' ' ' CYS . . . . . 0.536 ' SG ' ' CD2' ' A' ' 144' ' ' TYR . 53.6 t -86.53 -69.47 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 108.335 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . 0.471 HE21 ' N ' ' A' ' 183' ' ' LYS . 0.0 OUTLIER -44.97 -31.92 1.45 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.453 1.095 . . . . 0.0 110.276 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 183' ' ' LYS . . . . . 0.471 ' N ' HE21 ' A' ' 182' ' ' GLN . 29.2 mtmt -75.03 -42.5 57.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . 0.468 ' CD2' ' C ' ' A' ' 184' ' ' LEU . 2.3 tt -54.91 -56.04 23.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 16.9 mt -51.36 -52.82 42.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.267 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -52.66 -48.63 66.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -57.64 -31.11 65.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.345 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . 0.435 ' HG3' ' CD2' ' A' ' 184' ' ' LEU . 0.1 OUTLIER -81.5 -18.35 45.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 58.54 55.29 31.58 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.443 1.089 . . . . 0.0 110.969 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . 0.5 ' O ' ' C ' ' A' ' 191' ' ' THR . 0.5 OUTLIER -155.76 26.5 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 109.6 -179.92 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 191' ' ' THR . . . . . 0.5 ' C ' ' O ' ' A' ' 190' ' ' HIS . 17.6 p -30.93 -57.41 0.22 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 110.358 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 192' ' ' ASN . . . . . 0.457 ' O ' ' O ' ' A' ' 193' ' ' SER . 27.2 t-20 -68.94 -110.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.097 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 193' ' ' SER . . . . . 0.549 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER 47.97 -179.61 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.975 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . 0.549 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.2 Cg_endo -75.07 166.04 29.95 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.494 1.786 . . . . 0.0 110.939 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . 0.417 ' HG ' ' CD2' ' A' ' 199' ' ' LEU . 11.1 tp -67.4 -44.29 79.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -46.99 -41.63 14.34 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.07 -38.69 86.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 0.74 . . . . 0.0 109.35 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 198' ' ' MET . . . . . 0.414 ' HA ' ' CE1' ' A' ' 190' ' ' HIS . 90.9 mtp -62.35 -34.11 76.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 199' ' ' LEU . . . . . 0.417 ' CD2' ' HG ' ' A' ' 195' ' ' LEU . 3.1 mm? -75.11 -22.51 58.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 109.361 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 10.2 mtm180 -85.96 -14.38 44.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 110.309 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -89.51 -35.36 15.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.597 1.186 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 202' ' ' CYS . . . . . 0.596 ' CB ' ' CD1' ' A' ' 144' ' ' TYR . 1.0 OUTLIER -88.47 -18.61 27.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 108.288 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 203' ' ' GLN . . . . . 0.443 ' CG ' ' N ' ' A' ' 204' ' ' THR . 15.0 pt20 -38.15 -46.42 1.04 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.48 1.112 . . . . 0.0 110.327 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 204' ' ' THR . . . . . 0.447 ' OG1' ' CG2' ' A' ' 206' ' ' THR . 5.8 t -100.16 -48.2 4.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.563 1.164 . . . . 0.0 110.388 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 205' ' ' TRP . . . . . 0.566 ' CD1' ' O ' ' A' ' 205' ' ' TRP . 5.0 t90 41.93 59.71 2.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 108.011 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 206' ' ' THR . . . . . 0.447 ' CG2' ' OG1' ' A' ' 204' ' ' THR . 5.3 t -167.8 146.24 3.96 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 110.44 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -178.96 4.55 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.583 1.833 . . . . 0.0 110.924 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 208' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -157.77 112.04 2.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.574 1.171 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -159.43 105.02 1.65 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.425 1.078 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.33 140.67 10.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.372 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 12.3 t -169.23 143.05 2.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.39 1.056 . . . . 0.0 110.37 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -170.21 64.03 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.409 1.068 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 213' ' ' VAL . . . . . . . . . . . . . 62.9 t -75.58 -62.02 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.354 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 214' ' ' LEU . . . . . . . . . . . . . 4.4 tt . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.261 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 19.6 p-80 -178.87 173.66 1.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.592 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.6 p80 -174.41 156.7 2.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.573 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 8.7 p-80 -175.86 174.58 2.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.596 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -164.56 174.68 10.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.627 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 177.46 170.46 0.61 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.964 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.97 171.06 17.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 110.049 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -150.86 -153.42 6.14 Favored Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.501 1.126 . . . . 0.0 111.013 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.0 p-80 -163.08 147.38 11.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.389 0.699 . . . . 0.0 109.606 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.6 pt -137.64 177.05 6.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 109.237 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -153.12 170.25 20.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 110.291 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.77 127.12 1.44 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.458 1.098 . . . . 0.0 111.006 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -177.55 170.66 2.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 0.774 . . . . 0.0 110.359 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.525 ' CD2' ' O ' ' A' ' 14' ' ' HIS . 7.2 t60 57.91 93.3 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.53 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.593 ' SD ' ' CE1' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -33.92 136.01 0.13 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.527 1.142 . . . . 0.0 111.023 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.422 ' N ' ' HG3' ' A' ' 15' ' ' MET . 5.9 pm0 -121.97 174.42 6.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.245 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -54.01 -18.91 3.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 111.041 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -61.39 1.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.078 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -47.12 -43.41 20.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.258 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.566 ' HB3' ' CE2' ' A' ' 61' ' ' TYR . 25.4 mt -54.05 -53.65 50.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 109.336 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.97 -53.84 47.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.241 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.49 -42.12 66.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.42 ' HA ' ' CG ' ' A' ' 26' ' ' GLU . 29.3 mt -59.98 -48.82 86.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.4 ttpp -50.25 -27.0 5.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -76.66 -69.58 0.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.42 ' CG ' ' HA ' ' A' ' 23' ' ' ILE . 4.3 pt-20 -48.59 -23.54 1.04 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.2 t -83.06 -43.41 18.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.448 1.093 . . . . 0.0 109.207 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 57.7 m -53.15 -20.79 4.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.006 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -81.78 -40.61 22.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 110.315 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.463 ' CB ' ' HB3' ' A' ' 36' ' ' GLN . . . -48.81 166.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -105.66 162.58 19.27 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 117.34 4.88 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.547 1.814 . . . . 0.0 111.033 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 71.43 38.74 62.11 Favored Glycine 0 CA--C 1.528 0.905 0 O-C-N 124.551 1.157 . . . . 0.0 111.054 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.5 m -125.85 155.1 73.38 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.448 0.734 . . . . 0.0 110.018 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 50.15 2.45 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.461 1.769 . . . . 0.0 110.965 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.463 ' HB3' ' CB ' ' A' ' 30' ' ' ALA . 13.5 tp60 -121.33 -53.2 2.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.258 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.482 ' CD1' ' N ' ' A' ' 38' ' ' MET . 4.2 t80 -58.06 -59.6 5.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.106 . . . . 0.0 110.974 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.482 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -48.7 -41.86 33.1 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.556 1.16 . . . . 0.0 110.96 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -54.31 -41.0 68.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 110.315 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.4 m -67.63 -23.92 65.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.41 1.069 . . . . 0.0 110.415 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.459 HG22 ' CD2' ' A' ' 118' ' ' LEU . 12.4 mm -74.9 -57.43 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -61.77 -31.45 71.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 110.33 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 22.1 tp -67.92 -48.04 67.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.51 ' O ' ' CE1' ' A' ' 48' ' ' PHE . . . -65.61 -32.92 74.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -72.23 -37.05 57.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.587 1.179 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -87.3 0.3 55.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 110.312 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.34 -68.9 0.76 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.251 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.593 ' CE1' ' SD ' ' A' ' 15' ' ' MET . 0.2 OUTLIER -116.9 -24.85 7.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.578 1.174 . . . . 0.0 110.907 -179.931 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 72.34 98.31 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.551 1.157 . . . . 0.0 109.241 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 143.0 28.73 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.527 1.804 . . . . 0.0 111.007 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.5 p -61.9 -172.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.412 1.07 . . . . 0.0 110.412 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.23 -46.44 67.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.407 ' HD3' ' N ' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -63.78 -39.21 93.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.407 ' N ' ' HD3' ' A' ' 53' ' ' LYS . 77.2 m-20 -57.55 -37.84 73.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.523 HD21 ' CZ3' ' A' ' 117' ' ' TRP . 31.5 mt -65.89 -48.17 72.41 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.13 . . . . 0.0 109.347 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -53.71 -53.02 58.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 110.347 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.67 -57.5 10.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.467 HD13 ' CD1' ' A' ' 62' ' ' LEU . 10.0 tp -44.01 -40.33 4.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.342 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.423 ' O ' ' SG ' ' A' ' 63' ' ' CYS . 33.1 tp -55.94 -54.14 48.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.35 5.41 14.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.31 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 8.3 t80 -97.68 -21.1 17.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 0.0 110.956 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.467 ' CD1' HD13 ' A' ' 58' ' ' LEU . 49.2 mt -120.14 -69.87 0.82 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.423 ' SG ' ' O ' ' A' ' 59' ' ' LEU . 3.3 p -68.67 173.04 5.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 108.302 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.7 -165.68 1.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.617 1.198 . . . . 0.0 109.986 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.4 ' O ' ' OG ' ' A' ' 69' ' ' SER . 1.2 m -77.99 -24.69 47.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.419 1.075 . . . . 0.0 109.961 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 69' ' ' SER . 0.3 OUTLIER -73.05 -75.88 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.352 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.1 t -42.31 -34.61 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.69 -49.18 77.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 66' ' ' LEU . 2.4 m -58.47 -54.62 45.02 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 42.7 mt -52.51 -46.51 66.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.566 1.166 . . . . 0.0 109.337 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.487 ' CE1' ' HB2' ' A' ' 120' ' ' ALA . 8.0 t-80 -57.55 -41.83 81.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 109.614 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.66 -16.49 63.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.619 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 10.3 tp60 -80.29 -72.61 0.4 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -47.26 -31.88 4.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.567 1.167 . . . . 0.0 110.279 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.469 ' CD2' ' HG ' ' A' ' 116' ' ' LEU . 1.6 tm? -74.16 -45.4 48.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.355 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.36 -43.38 23.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.155 . . . . 0.0 109.367 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.9 t -68.52 -39.96 80.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.995 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.62 -39.59 91.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.462 HD12 ' CD1' ' A' ' 116' ' ' LEU . 42.5 mm -58.26 -59.65 3.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.456 1.098 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.0 t -49.91 -30.25 9.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.933 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -63.41 -39.98 95.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.421 1.075 . . . . 0.0 110.304 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.74 -59.62 3.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 0.0 109.357 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -54.39 -40.26 68.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.353 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.3 m -64.66 -48.28 75.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.358 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.25 -0.09 21.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 71.52 91.47 0.09 OUTLIER Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.572 1.17 . . . . 0.0 110.98 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.474 ' HB ' ' CB ' ' A' ' 90' ' ' TYR . 66.6 mt -53.71 167.74 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.588 0.816 . . . . 0.0 109.356 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.453 ' N ' ' CG2' ' A' ' 87' ' ' ILE . 14.7 t -88.09 -49.3 7.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 110.423 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.42 ' N ' ' CG2' ' A' ' 88' ' ' THR . . . -124.19 68.16 0.49 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.601 1.188 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.495 ' CD1' ' OE1' ' A' ' 100' ' ' GLN . 54.3 t80 -127.93 135.74 50.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 0.726 . . . . 0.0 110.948 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.424 ' ND2' HD13 ' A' ' 93' ' ' LEU . 5.0 t-20 -110.35 100.54 45.0 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -15.28 20.78 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.415 1.745 . . . . 0.0 110.966 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.57 ' CD2' ' C ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -65.91 -34.83 79.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.484 ' N ' ' CD1' ' A' ' 93' ' ' LEU . . . -67.5 -61.77 1.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.086 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.536 ' N ' ' CD ' ' A' ' 96' ' ' PRO . . . 123.87 -49.07 0.92 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.526 1.141 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 95' ' ' GLY . 17.9 Cg_endo -75.09 165.8 30.42 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.583 1.833 . . . . 0.0 110.943 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.463 HD13 ' CE1' ' A' ' 90' ' ' TYR . 14.2 tp -120.14 -55.64 2.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -51.31 -34.07 31.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.166 . . . . 0.0 110.3 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 60.5 t -60.16 -45.69 95.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.495 ' OE1' ' CD1' ' A' ' 90' ' ' TYR . 29.0 mt-30 -66.26 -20.33 66.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.301 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -103.98 16.33 26.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -107.67 -20.67 13.15 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.575 1.172 . . . . 0.0 109.331 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 46.9 p-10 -99.26 138.42 20.54 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.383 1.052 . . . . 0.0 109.299 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 0.25 9.09 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.407 1.741 . . . . 0.0 111.027 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -61.87 -62.6 1.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -95.48 83.38 3.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.24 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -72.35 -4.22 28.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -65.83 -56.47 14.5 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.513 1.133 . . . . 0.0 111.045 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.2 mt -71.11 -24.4 62.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 0.729 . . . . 0.0 109.345 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.43 ' HB3' ' NH1' ' A' ' 110' ' ' ARG . 13.0 mtp-105 -61.55 -52.67 63.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 110.334 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -65.6 -37.39 86.5 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.475 1.109 . . . . 0.0 110.279 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -63.28 -56.3 17.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.329 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -53.49 -35.39 60.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 111.026 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -58.98 -48.25 82.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 110.275 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -75.14 -54.63 6.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.326 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.469 ' HG ' ' CD2' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -47.89 -42.37 26.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.523 ' CZ3' HD21 ' A' ' 55' ' ' LEU . 75.0 t90 -62.41 -66.59 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 108.03 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.47 HD22 ' CZ3' ' A' ' 117' ' ' TRP . 93.2 mt -41.47 -35.25 0.66 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.68 -52.07 65.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.487 ' HB2' ' CE1' ' A' ' 71' ' ' HIS . . . -59.81 -34.96 73.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.502 ' CE2' ' CH2' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -75.97 -12.62 60.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 111.053 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -111.27 3.64 18.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -97.64 -4.21 37.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 79.2 mt -68.98 148.98 97.95 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.399 1.062 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -9.99 20.89 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.493 1.786 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -102.58 -33.73 4.37 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 5.8 t -72.95 62.24 0.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 0.774 . . . . 0.0 110.035 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -172.59 -177.21 1.67 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.6 -174.42 2.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.128 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -131.08 152.41 80.61 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 126.63 10.08 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.481 1.78 . . . . 0.0 110.976 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.25 -28.18 59.75 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.589 ' CD1' HD21 ' A' ' 155' ' ' LEU . 23.2 p-90 -67.66 -13.77 62.37 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.93 -10.56 50.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.4 27.25 4.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.979 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.463 ' CD1' ' HA ' ' A' ' 133' ' ' TRP . 96.7 mt -113.52 116.38 52.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.497 ' C ' ' CZ ' ' A' ' 147' ' ' PHE . 0.1 OUTLIER -134.8 156.34 49.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.309 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . 0.466 ' CG ' ' HA ' ' A' ' 144' ' ' TYR . 0.0 OUTLIER -71.31 116.09 11.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.436 1.085 . . . . 0.0 110.244 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . 0.455 ' O ' ' NE2' ' A' ' 138' ' ' GLN . . . -66.1 155.24 51.01 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.557 1.16 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.454 ' N ' ' OD1' ' A' ' 178' ' ' ASN . 1.4 tm? -60.51 -40.34 91.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 0.78 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -111.82 40.42 2.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 110.342 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -114.58 154.92 46.62 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.306 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 84.35 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.504 1.791 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . 0.596 ' CD1' ' CB ' ' A' ' 202' ' ' CYS . 45.7 t80 -38.13 -49.63 1.34 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.961 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . 0.44 ' CD2' ' C ' ' A' ' 145' ' ' HIS . 0.9 OUTLIER -56.42 -61.02 2.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.562 -179.939 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -54.69 -45.24 73.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . 0.497 ' CZ ' ' C ' ' A' ' 137' ' ' LEU . 77.4 t80 -55.03 -47.14 75.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 111.027 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 144' ' ' TYR . 67.6 t -51.14 -41.44 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.338 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -64.29 -61.97 1.9 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 110.252 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -50.66 -31.46 16.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.308 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.412 ' HB3' ' CD1' ' A' ' 169' ' ' LEU . 0.5 OUTLIER -63.48 -41.04 98.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -63.41 -49.44 73.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . 0.433 ' C ' ' N ' ' A' ' 155' ' ' LEU . 4.0 mp -62.15 -67.8 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.544 1.152 . . . . 0.0 109.345 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -41.48 -29.65 0.17 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.133 . . . . 0.0 109.299 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 0.589 HD21 ' CD1' ' A' ' 133' ' ' TRP . 2.8 mt -71.17 -61.76 1.65 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -50.68 -22.58 2.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.577 1.173 . . . . 0.0 109.299 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.03 -24.11 67.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -146.42 36.99 1.24 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.536 1.147 . . . . 0.0 111.034 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.31 113.86 32.16 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.76 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 156.52 43.28 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.425 1.75 . . . . 0.0 111.017 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -74.31 -1.7 21.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.108 . . . . 0.0 110.303 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -104.37 18.22 45.5 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.509 1.13 . . . . 0.0 111.031 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 1.4 m -142.86 142.19 21.76 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.526 0.78 . . . . 0.0 110.373 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 128.8 11.79 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.522 1.801 . . . . 0.0 111.037 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.65 -26.36 9.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . 0.511 ' N ' ' CD ' ' A' ' 167' ' ' PRO . 0.4 OUTLIER -50.91 -52.27 59.22 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 167' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 166' ' ' ASP . 18.1 Cg_endo -75.06 -38.15 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.559 1.82 . . . . 0.0 110.954 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . 0.437 ' CG2' HD22 ' A' ' 155' ' ' LEU . 0.0 OUTLIER -59.61 -39.11 78.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.277 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . 0.491 HD12 ' CD1' ' A' ' 155' ' ' LEU . 13.1 tp -59.49 -64.98 0.75 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.425 1.078 . . . . 0.0 109.344 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 17.6 ptt85 -51.45 -21.07 2.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.408 1.068 . . . . 0.0 110.265 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 171' ' ' SER . . . . . 0.503 ' O ' ' CB ' ' A' ' 175' ' ' SER . 0.2 OUTLIER -80.98 -38.18 28.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.971 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.469 ' CD1' HD22 ' A' ' 155' ' ' LEU . 10.5 mt -74.76 -24.21 58.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . 0.489 ' O ' ' CB ' ' A' ' 177' ' ' ALA . . . -79.97 -44.75 19.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.567 1.167 . . . . 0.0 109.32 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 174' ' ' TYR . . . . . 0.446 ' O ' ' N ' ' A' ' 176' ' ' ASN . 6.6 t80 -95.32 -73.57 0.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.971 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 175' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 171' ' ' SER . 0.2 OUTLIER -38.4 -30.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.063 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . 0.455 ' OD1' ' CD2' ' A' ' 137' ' ' LEU . 4.2 m-80 -122.94 59.82 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . 0.489 ' CB ' ' O ' ' A' ' 173' ' ' ALA . . . -125.24 148.34 48.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.344 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 140' ' ' LEU . 0.7 OUTLIER -51.84 -177.25 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -73.61 -59.41 2.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.352 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.0 -36.21 49.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 110.213 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 181' ' ' CYS . . . . . 0.451 ' SG ' ' CD2' ' A' ' 144' ' ' TYR . 45.2 t -67.4 -65.13 0.73 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 0.0 108.249 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.88 -42.05 25.85 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.47 1.106 . . . . 0.0 110.255 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 15.5 ttpp -61.76 -34.73 76.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.451 1.094 . . . . 0.0 109.255 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . 0.539 ' CD2' ' C ' ' A' ' 184' ' ' LEU . 2.5 tt -67.78 -60.76 2.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . 0.456 ' CD2' ' SD ' ' A' ' 198' ' ' MET . 4.7 mt -49.41 -52.35 29.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -58.97 -52.57 65.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.332 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -55.87 -25.18 41.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . 0.474 ' CD ' ' HB2' ' A' ' 201' ' ' ALA . 0.0 OUTLIER -80.58 -23.54 39.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.328 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 64.48 67.79 1.91 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.545 1.153 . . . . 0.0 110.928 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . 0.621 ' CG ' ' O ' ' A' ' 190' ' ' HIS . 0.2 OUTLIER -171.09 37.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 0.773 . . . . 0.0 109.57 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 1.1 p -63.71 -47.69 80.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.354 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -82.59 59.64 4.79 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 193' ' ' SER . . . . . 0.548 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER -134.97 -179.34 1.05 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.991 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . 0.548 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.6 Cg_endo -74.94 176.44 9.89 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.473 1.775 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 198' ' ' MET . 6.1 tp -72.86 -50.36 24.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 109.35 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -42.9 -45.96 6.01 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.465 1.103 . . . . 0.0 111.074 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -67.09 -35.9 80.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 0.768 . . . . 0.0 109.271 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 198' ' ' MET . . . . . 0.456 ' SD ' ' CD2' ' A' ' 185' ' ' LEU . 5.5 mmm -65.54 -23.03 66.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 199' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -85.62 -22.87 27.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 200' ' ' ARG . . . . . 0.415 ' O ' ' CD ' ' A' ' 203' ' ' GLN . 5.8 ttm180 -86.16 -11.65 51.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.412 1.07 . . . . 0.0 110.311 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ALA . . . . . 0.474 ' HB2' ' CD ' ' A' ' 188' ' ' ARG . . . -96.72 -35.57 10.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.345 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 202' ' ' CYS . . . . . 0.596 ' CB ' ' CD1' ' A' ' 144' ' ' TYR . 2.0 m -87.04 -12.55 46.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 108.309 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 203' ' ' GLN . . . . . 0.458 ' HG3' ' N ' ' A' ' 204' ' ' THR . 13.9 pt20 -45.35 -50.25 12.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 204' ' ' THR . . . . . 0.458 ' N ' ' HG3' ' A' ' 203' ' ' GLN . 0.0 OUTLIER -66.86 -23.98 66.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.429 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 205' ' ' TRP . . . . . 0.495 ' CD1' HD11 ' A' ' 184' ' ' LEU . 0.6 OUTLIER -70.85 61.13 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 108.04 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 206' ' ' THR . . . . . 0.417 ' N ' ' O ' ' A' ' 204' ' ' THR . 69.7 p -147.73 88.48 5.61 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 110.364 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 153.8 42.38 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.518 1.799 . . . . 0.0 111.032 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 208' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.76 -44.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -132.75 164.22 27.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 109.341 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.09 164.34 18.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 62.0 p -64.4 173.32 2.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.352 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 32.0 tttp -128.44 161.06 30.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.38 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 213' ' ' VAL . . . . . 0.404 HG11 ' N ' ' A' ' 214' ' ' LEU . 25.5 t -141.61 148.43 20.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 214' ' ' LEU . . . . . 0.404 ' N ' HG11 ' A' ' 213' ' ' VAL . 5.3 mt . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 11.8 p80 -133.71 174.95 9.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.138 . . . . 0.0 109.592 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -138.35 169.66 17.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.128 . . . . 0.0 109.558 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -141.15 175.02 9.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.074 . . . . 0.0 109.594 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -152.96 174.9 13.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.611 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.1 p -157.8 163.2 38.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.969 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.3 159.64 44.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.118 . . . . 0.0 110.029 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.15 -151.39 10.45 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.475 1.11 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -176.31 159.2 1.98 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 0.733 . . . . 0.0 109.657 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.83 172.03 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -164.16 169.81 17.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.245 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -83.91 -99.66 0.59 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.134 . . . . 0.0 111.07 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -175.75 80.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 0.786 . . . . 0.0 110.284 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -170.25 71.7 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 0.0 109.563 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.576 ' HA ' ' CE1' ' A' ' 48' ' ' PHE . 0.0 OUTLIER 52.66 101.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.08 . . . . 0.0 110.942 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -84.17 161.51 20.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -66.12 -46.73 76.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.098 . . . . 0.0 111.032 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 19' ' ' ASP . 5.3 pttt -50.25 -47.37 55.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.583 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -58.53 -48.57 80.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.573 1.171 . . . . 0.0 109.339 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.471 ' CD2' HD11 ' A' ' 58' ' ' LEU . 1.9 mt -61.71 -34.65 76.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.65 -52.57 60.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.345 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.83 -33.15 48.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.427 ' HA ' ' CG ' ' A' ' 26' ' ' GLU . 67.6 mt -65.6 -46.31 89.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.6 tttm -49.94 -33.21 16.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.5 -71.65 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.427 ' CG ' ' HA ' ' A' ' 23' ' ' ILE . 10.0 pt-20 -45.15 -30.2 1.1 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 110.256 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 30' ' ' ALA . 38.7 t -73.07 -54.02 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -45.75 -36.38 5.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.086 . . . . 0.0 110.006 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.17 -36.81 84.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 110.313 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 27' ' ' VAL . . . -43.85 165.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -110.34 169.81 5.97 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.58 1.175 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 115.22 4.22 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.484 1.781 . . . . 0.0 110.976 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 61.29 53.11 47.11 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.421 1.075 . . . . 0.0 111.021 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.99 158.8 74.16 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.533 0.784 . . . . 0.0 109.972 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.12 49.29 2.25 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.488 1.783 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -121.62 -59.24 1.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.428 ' N ' ' HB3' ' A' ' 30' ' ' ALA . 11.5 t80 -59.61 -58.64 7.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.471 ' HE3' ' CD2' ' A' ' 118' ' ' LEU . 0.0 OUTLIER -52.08 -49.61 63.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 111.001 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -50.29 -40.05 47.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.283 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 63.3 m -64.22 -29.59 70.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.423 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.421 HG23 ' CD2' ' A' ' 118' ' ' LEU . 3.8 mm -74.54 -40.03 48.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.445 1.091 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.411 ' O ' ' N ' ' A' ' 45' ' ' VAL . 1.8 mmm180 -66.59 -57.51 7.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 110.297 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.49 -29.29 24.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -84.11 -25.56 29.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.429 1.08 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.474 HG21 ' CD1' ' A' ' 118' ' ' LEU . 0.4 OUTLIER -73.52 -17.57 17.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -111.82 -64.46 1.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.309 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -44.85 -34.62 2.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.338 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.583 ' CE2' ' HB3' ' A' ' 19' ' ' ASP . 0.1 OUTLIER -101.79 -44.18 5.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.969 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.424 ' N ' ' HD3' ' A' ' 50' ' ' PRO . 2.7 t70 67.64 63.83 0.7 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.339 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.453 ' CD ' ' HA ' ' A' ' 45' ' ' VAL . 18.4 Cg_endo -75.01 163.08 36.02 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.562 1.822 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.5 p -113.66 -173.92 2.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.41 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.19 -37.35 54.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -68.66 -70.37 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 0.0 109.324 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -42.39 -31.48 0.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.525 HD13 ' CG ' ' A' ' 117' ' ' TRP . 20.0 mt -75.51 -48.09 24.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 53' ' ' LYS . 15.3 tp60 -49.02 -50.1 37.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 110.303 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.45 ' C ' ' N ' ' A' ' 59' ' ' LEU . 4.2 t70 -70.02 -63.3 1.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.471 HD11 ' CD2' ' A' ' 20' ' ' LEU . 29.0 tp -39.61 -29.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.468 HD12 ' CG ' ' A' ' 71' ' ' HIS . 20.5 tp -71.78 -55.28 7.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 57' ' ' ASP . 0.1 OUTLIER -87.78 23.55 1.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.306 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.402 ' OH ' ' O ' ' A' ' 20' ' ' LEU . 4.3 t80 -121.25 -38.84 2.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 111.033 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.3 mt -92.91 -59.34 2.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 68.5 m -81.1 -175.56 5.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 0.0 108.388 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.11 162.79 13.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 110.042 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.0 p -50.55 -41.69 54.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.002 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.7 tp -55.84 -66.18 0.47 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.428 HG12 ' CD1' ' A' ' 124' ' ' LEU . 2.8 t -45.76 -42.37 3.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.85 -51.88 67.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 68.5 p -57.39 -54.22 49.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 109.971 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 62.5 mt -50.69 -52.58 38.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.468 ' CG ' HD12 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -55.95 -43.91 77.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.625 179.926 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -54.91 -23.51 19.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.652 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -82.21 -71.84 0.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.275 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.404 ' NE2' ' HA ' ' A' ' 71' ' ' HIS . 1.7 pt20 -47.11 -33.05 4.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.583 1.177 . . . . 0.0 110.27 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.435 HD21 ' CB ' ' A' ' 120' ' ' ALA . 1.3 tm? -74.42 -48.15 29.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.347 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.8 -49.26 20.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.59 -44.4 96.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.954 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.406 HD21 ' CB ' ' A' ' 116' ' ' LEU . 0.4 OUTLIER -53.91 -48.71 69.88 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.467 HD11 ' CD2' ' A' ' 97' ' ' LEU . 11.0 mm -50.5 -51.46 18.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.428 1.08 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.56 -28.9 34.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.002 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -64.92 -40.31 94.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.436 ' O ' ' CG1' ' A' ' 87' ' ' ILE . . . -66.53 -57.66 6.83 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -56.42 -36.89 69.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.276 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.3 m -60.16 -45.1 94.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.42 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -72.02 -5.02 32.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.322 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 87' ' ' ILE . . . 86.52 -18.08 35.74 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.453 1.096 . . . . 0.0 111.004 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.49 ' HB ' ' CB ' ' A' ' 90' ' ' TYR . 13.6 mt 60.91 146.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 0.0 109.345 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 3.1 t -45.5 -55.05 6.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.393 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -155.35 61.61 0.36 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.552 1.158 . . . . 0.0 110.961 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.49 ' CB ' ' HB ' ' A' ' 87' ' ' ILE . 23.9 t80 -78.45 156.25 29.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 0.796 . . . . 0.0 110.955 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -112.03 121.46 39.43 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -31.4 6.3 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.495 1.787 . . . . 0.0 111.07 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.509 ' C ' ' CD1' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -60.59 -21.55 62.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 109.323 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.493 ' O ' ' C ' ' A' ' 95' ' ' GLY . . . -97.92 54.21 1.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.493 ' C ' ' O ' ' A' ' 94' ' ' ALA . . . -28.61 -57.03 0.15 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.47 1.106 . . . . 0.0 110.951 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.401 ' CD ' ' N ' ' A' ' 95' ' ' GLY . 18.5 Cg_endo -74.92 81.95 2.09 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.515 1.797 . . . . 0.0 111.069 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.467 ' CD2' HD11 ' A' ' 79' ' ' ILE . 0.8 OUTLIER -48.61 -30.37 5.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.257 -179.926 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.443 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 21.3 ptt180 -58.14 -15.67 10.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 47.7 t -92.04 -59.56 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.274 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.409 ' HG3' ' NE2' ' A' ' 106' ' ' GLN . 3.5 pt20 -56.63 -17.93 10.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.098 . . . . 0.0 110.306 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.56 -43.35 66.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 98' ' ' ARG . 18.6 p30 -92.79 30.44 1.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -99.21 130.54 26.99 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 0.0 109.272 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 49.06 2.16 Favored 'Trans proline' 0 C--N 1.361 1.231 0 O-C-N 124.408 1.741 . . . . 0.0 111.019 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -137.34 -66.16 0.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.266 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.409 ' NE2' ' HG3' ' A' ' 100' ' ' GLN . 0.0 OUTLIER -80.03 113.82 18.49 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.409 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 8.9 tm0? -99.8 -25.0 14.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 110.342 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -69.29 -52.4 22.56 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.47 1.106 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 112' ' ' GLU . 0.8 OUTLIER -66.1 -57.97 6.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 0.761 . . . . 0.0 109.298 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.495 ' C ' ' CD ' ' A' ' 110' ' ' ARG . 0.0 OUTLIER -41.1 -33.85 0.38 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.46 ' N ' ' HG3' ' A' ' 110' ' ' ARG . 0.0 OUTLIER -70.04 -46.75 64.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 110.263 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 109' ' ' LEU . 26.9 mm-40 -56.43 -45.76 80.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 110.241 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -57.52 -42.78 83.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 111.027 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -52.48 -51.79 57.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 110.356 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.65 -57.0 5.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 110.292 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.432 ' HG ' ' CD2' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -43.54 -35.21 1.6 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.477 1.11 . . . . 0.0 109.326 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.525 ' CG ' HD13 ' A' ' 55' ' ' LEU . 92.2 t90 -67.04 -53.65 29.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 108.011 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.474 ' CD1' HG21 ' A' ' 45' ' ' VAL . 50.8 mt -53.81 -32.23 51.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -59.94 -52.09 66.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 109.332 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.435 ' CB ' HD21 ' A' ' 75' ' ' LEU . . . -59.2 -35.18 73.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.233 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -70.41 -33.98 71.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -91.6 3.12 55.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.585 1.178 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -97.98 4.48 49.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.428 ' CD1' HG12 ' A' ' 67' ' ' VAL . 36.3 mt -82.11 156.62 69.3 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 55.97 4.14 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.57 1.826 . . . . 0.0 110.952 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 131.48 -53.17 0.81 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.543 1.152 . . . . 0.0 110.986 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.418 ' OG ' ' CE1' ' A' ' 37' ' ' PHE . 0.3 OUTLIER 57.29 82.63 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 0.763 . . . . 0.0 110.013 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.402 ' CB ' ' O ' ' A' ' 127' ' ' SER . . . 169.73 176.03 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 22.1 pttt -161.51 145.55 12.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -166.34 129.71 1.55 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.22 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 100.69 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.471 1.774 . . . . 0.0 110.968 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.9 -10.46 59.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 110.022 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.58 ' CD1' HD21 ' A' ' 155' ' ' LEU . 41.8 p-90 -74.97 -25.18 58.67 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.99 -14.1 32.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.414 1.071 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 7.2 m -122.34 28.39 7.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.003 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.468 ' CD1' ' HA ' ' A' ' 133' ' ' TRP . 10.0 mt -116.14 119.35 61.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.591 ' O ' ' CZ ' ' A' ' 147' ' ' PHE . 0.3 OUTLIER -136.11 147.76 47.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . 0.476 ' CG ' ' HA ' ' A' ' 144' ' ' TYR . 0.0 OUTLIER -77.13 117.8 19.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.313 179.934 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . 0.441 ' O ' ' NE2' ' A' ' 138' ' ' GLN . . . -67.76 147.91 48.79 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.547 1.154 . . . . 0.0 110.986 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.44 ' N ' ' ND2' ' A' ' 178' ' ' ASN . 1.9 tm? -55.67 -34.89 65.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 0.762 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -118.15 43.66 2.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -124.52 161.67 46.85 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.441 1.088 . . . . 0.0 110.337 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 104.99 2.0 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.441 1.758 . . . . 0.0 110.946 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . 0.476 ' HA ' ' CG ' ' A' ' 138' ' ' GLN . 27.0 t80 -60.64 -60.43 3.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.15 . . . . 0.0 110.975 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -47.38 -50.52 22.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.536 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -61.0 -27.87 68.63 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . 0.591 ' CZ ' ' O ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -76.16 -41.73 48.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 0.0 111.002 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 57.7 t -58.94 -47.13 90.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -58.3 -53.52 57.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.368 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 1.3 mtm180 -59.07 -35.52 73.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.317 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.86 -40.49 84.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.575 1.172 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -64.02 -45.53 88.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 156' ' ' ASP . 1.8 mp -63.24 -67.62 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.49 1.119 . . . . 0.0 109.255 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -41.31 -30.74 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 0.58 HD21 ' CD1' ' A' ' 133' ' ' TRP . 3.6 mt -76.29 -50.15 15.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 153' ' ' ILE . 20.8 t70 -52.15 -21.48 3.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -92.29 -25.23 18.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.221 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 155' ' ' LEU . . . -134.56 53.42 0.78 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.496 1.123 . . . . 0.0 110.964 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.478 HD21 ' CD1' ' A' ' 168' ' ' ILE . 0.2 OUTLIER -166.15 101.96 0.71 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.517 0.775 . . . . 0.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 167.48 26.94 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.454 1.765 . . . . 0.0 110.985 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 163' ' ' THR . 1.7 mt-10 -65.03 -55.36 19.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 110.346 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -38.03 -30.04 0.07 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.524 1.14 . . . . 0.0 110.991 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 161' ' ' GLU . 1.2 m -100.02 142.49 24.71 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.469 0.747 . . . . 0.0 110.386 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' PRO . . . . . 0.439 ' N ' HG22 ' A' ' 163' ' ' THR . 18.2 Cg_endo -75.02 138.73 23.36 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.54 1.811 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 166' ' ' ASP . 0.0 OUTLIER -119.44 -41.1 2.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . 0.536 ' CB ' ' HD3' ' A' ' 167' ' ' PRO . 0.1 OUTLIER -38.65 -54.47 2.97 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 167' ' ' PRO . . . . . 0.536 ' HD3' ' CB ' ' A' ' 166' ' ' ASP . 18.4 Cg_endo -74.99 -47.39 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.489 1.784 . . . . 0.0 110.98 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . 0.478 ' CD1' HD21 ' A' ' 159' ' ' LEU . 0.0 OUTLIER -46.67 -29.15 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.572 1.17 . . . . 0.0 109.274 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . 0.489 HD11 ' CD1' ' A' ' 155' ' ' LEU . 4.0 tp -65.64 -63.28 1.13 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.512 1.133 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . 0.47 ' O ' ' CB ' ' A' ' 174' ' ' TYR . 0.9 OUTLIER -52.31 -34.88 48.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 110.279 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.05 -18.55 61.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 110.038 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.498 HD21 ' CE3' ' A' ' 133' ' ' TRP . 33.3 mt -91.95 -46.48 7.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.359 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -71.66 -6.34 40.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.08 . . . . 0.0 109.283 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 174' ' ' TYR . . . . . 0.47 ' CB ' ' O ' ' A' ' 170' ' ' ARG . 52.8 t80 -107.57 -69.0 0.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.29 -57.26 12.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.054 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -83.84 54.86 3.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 178' ' ' ASN . . . -135.7 140.3 44.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.561 1.163 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . 0.44 ' ND2' ' N ' ' A' ' 140' ' ' LEU . 0.5 OUTLIER -51.57 -177.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.84 -65.09 0.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.254 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . 0.405 ' OE2' ' CD1' ' A' ' 205' ' ' TRP . 0.0 OUTLIER -45.31 -33.79 2.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 181' ' ' CYS . . . . . . . . . . . . . 7.2 m -64.8 -69.8 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 108.315 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . 0.439 ' O ' ' NE2' ' A' ' 186' ' ' GLN . 0.6 OUTLIER -49.91 -40.49 43.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 110.27 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.27 -34.37 77.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . 0.47 ' CD2' ' HG3' ' A' ' 188' ' ' ARG . 2.1 tt -64.43 -58.44 6.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . 0.409 HD21 ' NE2' ' A' ' 190' ' ' HIS . 8.6 mt -50.42 -53.32 30.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 182' ' ' GLN . 1.0 OUTLIER -55.66 -53.31 58.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 110.235 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -49.16 -50.14 39.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . 0.47 ' HG3' ' CD2' ' A' ' 184' ' ' LEU . 0.0 OUTLIER -58.13 -21.64 47.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.336 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 189' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 186' ' ' GLN . . . 75.38 30.25 58.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.425 1.078 . . . . 0.0 111.011 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . 0.564 ' CE1' ' HB3' ' A' ' 197' ' ' ASP . 0.4 OUTLIER -138.67 107.79 6.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.429 0.723 . . . . 0.0 109.653 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 3.2 p -120.06 -53.4 2.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.391 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -86.46 48.15 1.58 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 193' ' ' SER . . . . . 0.528 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER -117.12 179.57 0.79 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.98 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . 0.528 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.4 Cg_endo -74.93 153.8 42.37 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.467 1.772 . . . . 0.0 111.064 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . 0.47 ' HG ' ' CD2' ' A' ' 199' ' ' LEU . 6.7 tp -52.74 -43.08 65.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -44.54 -39.63 5.93 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.514 1.134 . . . . 0.0 111.099 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . 0.564 ' HB3' ' CE1' ' A' ' 190' ' ' HIS . 0.3 OUTLIER -73.5 -36.28 65.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 0.727 . . . . 0.0 109.245 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 198' ' ' MET . . . . . 0.428 ' N ' ' O ' ' A' ' 195' ' ' LEU . 90.1 mtp -65.58 -32.55 74.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 199' ' ' LEU . . . . . 0.47 ' CD2' ' HG ' ' A' ' 195' ' ' LEU . 3.6 mm? -80.62 -21.63 41.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.343 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.28 -10.95 51.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 110.313 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -95.47 -37.91 10.69 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.413 1.071 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 202' ' ' CYS . . . . . . . . . . . . . 19.1 p -82.81 -21.13 34.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 108.288 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -39.14 -35.47 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.423 1.077 . . . . 0.0 110.247 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 5.1 t -112.3 -51.42 2.84 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.378 1.049 . . . . 0.0 110.368 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 205' ' ' TRP . . . . . 0.573 ' CD1' ' O ' ' A' ' 205' ' ' TRP . 4.8 t90 44.56 59.85 3.14 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 206' ' ' THR . . . . . . . . . . . . . 11.4 p -111.44 159.79 31.73 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.399 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 174.98 11.82 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.471 1.774 . . . . 0.0 111.035 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 208' ' ' LYS . . . . . . . . . . . . . 44.4 tttt -68.72 94.97 0.63 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . 28.0 t0 176.85 93.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.15 167.54 20.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 54.9 p -145.91 150.76 36.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 110.344 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.03 -62.64 1.57 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 213' ' ' VAL . . . . . . . . . . . . . 62.4 t -143.38 120.01 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 214' ' ' LEU . . . . . . . . . . . . . 1.3 tm? . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.512 1.132 . . . . 0.0 109.245 -179.98 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 12.6 p-80 . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -178.2 162.9 1.61 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.524 1.14 . . . . 0.0 109.589 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -179.46 163.66 1.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.087 . . . . 0.0 109.588 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.7 t60 179.67 160.04 0.78 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.436 1.085 . . . . 0.0 109.577 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -178.49 164.73 1.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.608 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 p 174.91 158.15 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 110.003 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 92.4 p -178.82 172.08 1.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.943 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 141.26 143.82 4.32 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.461 1.101 . . . . 0.0 110.954 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 25.8 t60 -175.37 157.33 2.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 0.761 . . . . 0.0 109.567 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.0 tt -173.8 154.59 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.414 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -174.77 -179.01 1.37 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.111 . . . . 0.0 110.331 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 138.87 134.96 3.24 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.62 152.78 14.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 0.723 . . . . 0.0 110.305 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -167.86 63.37 0.07 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.463 1.102 . . . . 0.0 109.636 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.534 ' HE2' ' CE1' ' A' ' 48' ' ' PHE . 0.0 OUTLIER 57.86 162.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 110.957 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -177.8 148.55 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.57 1.168 . . . . 0.0 110.264 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.7 tpt -52.23 -25.76 10.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.9 pttt -80.02 -36.38 35.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -63.56 -43.49 96.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.523 ' HB3' ' CE2' ' A' ' 61' ' ' TYR . 24.8 mt -63.4 -44.47 94.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.73 -46.58 77.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.261 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.93 -50.28 71.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.37 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.492 ' O ' ' CG2' ' A' ' 27' ' ' VAL . 35.2 mt -49.75 -44.55 20.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -58.63 -32.33 68.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -74.16 -65.62 0.82 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 110.299 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.473 ' CG ' ' HA ' ' A' ' 23' ' ' ILE . 4.2 pt-20 -52.72 -20.35 3.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.454 1.096 . . . . 0.0 110.264 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 23' ' ' ILE . 39.1 t -87.56 -49.49 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.6 m -48.79 -28.78 3.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.997 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.43 -31.98 48.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 110.272 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 27' ' ' VAL . . . -46.17 167.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -101.64 163.81 17.11 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.356 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 122.59 7.31 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.484 1.781 . . . . 0.0 111.027 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 55.6 41.64 82.38 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.533 1.146 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.1 m -123.85 157.06 64.38 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.524 0.779 . . . . 0.0 109.983 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 50.08 2.43 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.507 1.793 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -121.43 -49.19 2.16 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 110.267 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.493 ' CE1' HD13 ' A' ' 41' ' ' ILE . 1.5 t80 -66.77 -64.37 0.87 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 111.03 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.41 ' CE ' HD21 ' A' ' 118' ' ' LEU . 8.1 tpt -46.0 -39.82 9.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -58.7 -47.61 83.95 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.515 1.135 . . . . 0.0 110.272 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.451 ' CG2' ' CD ' ' A' ' 26' ' ' GLU . 1.5 m -57.82 -24.87 59.39 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.463 1.102 . . . . 0.0 110.32 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.493 HD13 ' CE1' ' A' ' 37' ' ' PHE . 6.9 mm -72.75 -56.22 10.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.085 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.19 -31.51 53.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.445 1.091 . . . . 0.0 110.265 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.9 -51.62 60.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.09 -37.57 87.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.253 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.3 t -66.18 -26.96 39.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -90.08 -15.04 32.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 110.3 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -74.99 -71.23 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.233 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.534 ' CE1' ' HE2' ' A' ' 15' ' ' MET . 0.5 OUTLIER -116.01 -26.05 7.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.976 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.405 ' OD2' ' NE2' ' A' ' 114' ' ' GLN . 1.0 OUTLIER 74.37 96.66 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 0.0 109.334 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 142.34 27.83 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.44 1.758 . . . . 0.0 111.022 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.407 ' OG1' ' OD1' ' A' ' 102' ' ' ASN . 63.7 p -79.25 -168.2 1.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.395 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.59 -31.62 72.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.281 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -70.95 -72.43 0.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.309 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -41.5 -36.48 0.89 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 109.259 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.525 ' CD1' ' CG ' ' A' ' 117' ' ' TRP . 12.4 mt -65.95 -51.04 62.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 53' ' ' LYS . 3.5 tp60 -51.48 -49.16 62.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.01 -62.19 1.56 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.8 tp -40.84 -38.9 1.01 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.591 1.182 . . . . 0.0 109.366 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.0 tp -57.95 -57.84 11.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.8 3.27 12.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.264 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.523 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 28.9 t80 -95.52 -18.59 20.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 75.1 mt -114.3 -69.14 0.88 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.339 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 9.1 p -70.04 -168.43 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 108.286 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.7 t -107.07 -164.31 0.97 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.964 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.2 m -77.24 -25.57 51.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.421 1.076 . . . . 0.0 109.9 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.446 HD11 ' CD1' ' A' ' 70' ' ' LEU . 3.3 tp -67.22 -70.47 0.25 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.2 t -50.32 -51.38 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -43.24 -39.66 3.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.279 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.9 m -74.92 -45.42 42.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.988 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.446 ' CD1' HD11 ' A' ' 66' ' ' LEU . 84.1 mt -52.89 -50.22 64.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.636 1.21 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.494 ' CE1' ' HB1' ' A' ' 120' ' ' ALA . 0.6 OUTLIER -60.51 -40.56 91.87 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.479 1.112 . . . . 0.0 109.598 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -56.05 -24.85 42.23 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 0.0 109.524 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 76' ' ' ASP . 23.6 mt-30 -82.62 -72.45 0.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.329 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -45.53 -38.45 6.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.257 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.538 ' CD1' ' CD1' ' A' ' 79' ' ' ILE . 1.4 tm? -69.46 -37.44 77.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 73' ' ' GLN . 0.2 OUTLIER -57.37 -45.73 84.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.533 1.146 . . . . 0.0 109.336 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.54 -45.46 91.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.027 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.412 HD22 ' CB ' ' A' ' 116' ' ' LEU . 7.7 tp -51.26 -52.48 44.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 0.0 109.352 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.538 ' CD1' ' CD1' ' A' ' 75' ' ' LEU . 1.0 OUTLIER -62.54 -47.34 93.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.05 -35.47 1.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.007 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -75.84 -40.36 54.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 79' ' ' ILE . . . -62.93 -64.38 0.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.58 -35.05 8.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.1 m -61.04 -40.34 93.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.416 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -81.65 -1.27 46.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 110.294 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.92 -7.96 61.43 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.6 1.187 . . . . 0.0 111.038 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.468 ' CG2' ' HG ' ' A' ' 109' ' ' LEU . 16.1 mt 55.56 169.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.447 0.734 . . . . 0.0 109.351 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.446 ' OG1' ' N ' ' A' ' 89' ' ' GLY . 61.5 p -46.08 -77.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 0.0 110.393 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.446 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -136.63 52.69 0.77 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.481 ' CE1' HD13 ' A' ' 97' ' ' LEU . 22.0 t80 -81.12 145.55 31.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 0.788 . . . . 0.0 111.028 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -111.78 98.49 41.63 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -21.84 15.35 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.492 1.785 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.499 ' CD2' ' C ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -58.92 -35.22 72.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.145 . . . . 0.0 109.307 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.466 ' N ' ' CD1' ' A' ' 93' ' ' LEU . . . -61.27 -65.6 0.67 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.506 ' N ' ' CD ' ' A' ' 96' ' ' PRO . . . 128.39 -50.08 0.9 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.591 1.182 . . . . 0.0 110.986 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 95' ' ' GLY . 18.2 Cg_endo -75.08 154.39 42.09 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.492 1.785 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.481 HD13 ' CE1' ' A' ' 90' ' ' TYR . 13.2 tp -120.86 -38.82 2.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 23.2 ptt-85 -77.22 0.6 21.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 110.259 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 32.0 t -86.19 -72.99 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -58.57 -16.28 15.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.595 1.184 . . . . 0.0 110.342 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.94 -22.34 65.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.262 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.407 ' OD1' ' OG1' ' A' ' 51' ' ' THR . 2.9 m-80 -98.92 2.48 46.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 18.2 t30 -84.84 133.78 42.92 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.323 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -17.88 19.19 Favored 'Trans proline' 0 C--N 1.358 1.073 0 O-C-N 124.503 1.791 . . . . 0.0 110.962 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -58.4 -59.08 5.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.337 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -101.87 57.62 0.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.275 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -55.82 -20.08 13.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.592 1.183 . . . . 0.0 110.373 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -54.93 -50.55 58.18 Favored Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.448 1.093 . . . . 0.0 111.036 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.468 ' HG ' ' CG2' ' A' ' 87' ' ' ILE . 0.5 OUTLIER -73.07 -46.49 51.32 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.448 0.734 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -45.87 -38.95 7.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 110.353 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.84 -60.23 2.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.333 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.56 -24.03 0.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -79.11 -46.75 17.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.405 ' NE2' ' OD2' ' A' ' 49' ' ' ASP . 25.6 mt-30 -51.73 -48.96 63.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 110.251 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.66 -49.33 69.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.246 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.47 ' HG ' ' CD2' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -51.88 -40.13 60.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.525 ' CG ' ' CD1' ' A' ' 55' ' ' LEU . 90.1 t90 -56.4 -63.59 1.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 108.006 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.461 ' CD2' HG21 ' A' ' 41' ' ' ILE . 47.4 mt -44.64 -29.74 0.8 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.466 ' CB ' ' O ' ' A' ' 116' ' ' LEU . . . -58.48 -57.65 12.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.093 . . . . 0.0 109.329 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.494 ' HB1' ' CE1' ' A' ' 71' ' ' HIS . . . -59.41 -41.89 90.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.44 -14.62 42.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 111.062 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -117.33 4.59 12.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.334 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -98.81 -3.66 35.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.355 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 94.1 mt -63.12 148.36 92.95 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -8.66 20.38 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.568 1.825 . . . . 0.0 111.049 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -129.26 41.42 1.55 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.467 1.105 . . . . 0.0 110.98 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.2 t -114.7 -48.59 2.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 0.738 . . . . 0.0 110.016 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -139.82 134.65 32.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 109.378 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.34 -177.16 4.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -129.55 151.65 78.34 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.368 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . 0.547 ' HB3' ' CZ2' ' A' ' 133' ' ' TRP . 18.3 Cg_endo -75.04 115.93 4.43 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.51 1.795 . . . . 0.0 111.013 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.33 -18.36 60.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 109.985 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.547 ' CZ2' ' HB3' ' A' ' 131' ' ' PRO . 15.3 p-90 -75.58 -17.69 59.97 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.548 1.155 . . . . 0.0 108.005 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.99 -10.0 44.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.19 25.01 6.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.994 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 42.8 mt -117.41 117.61 55.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.573 1.17 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.466 ' CB ' ' HB3' ' A' ' 176' ' ' ASN . 0.2 OUTLIER -137.52 161.69 35.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.933 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -91.38 123.39 34.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.324 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -67.97 160.6 50.29 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.463 1.102 . . . . 0.0 111.048 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -61.88 -36.41 81.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 0.785 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -114.17 41.5 2.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 110.218 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -125.91 160.31 57.3 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.266 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.88 124.76 8.92 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.579 1.831 . . . . 0.0 111.016 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -85.78 -41.39 15.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . 0.461 ' CD2' ' C ' ' A' ' 145' ' ' HIS . 0.6 OUTLIER -59.43 -55.46 34.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.595 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -61.9 -29.49 70.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . 0.6 ' CE1' ' CD1' ' A' ' 151' ' ' LEU . 3.5 t80 -71.52 -29.03 64.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 94.9 t -70.86 -36.89 66.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -65.19 -55.96 15.59 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.513 1.133 . . . . 0.0 110.319 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -59.59 -27.22 66.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.365 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.6 ' CD1' ' CE1' ' A' ' 147' ' ' PHE . 1.2 mt -63.67 -41.63 98.16 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -66.58 -42.55 86.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.578 1.174 . . . . 0.0 109.267 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . 0.42 ' C ' ' N ' ' A' ' 155' ' ' LEU . 5.7 mt -64.56 -68.53 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -43.02 -27.77 0.22 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 158' ' ' GLY . 1.0 OUTLIER -75.33 -52.87 9.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -52.16 -20.31 2.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 109.374 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -85.04 -24.16 28.29 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 155' ' ' LEU . . . -143.88 57.2 0.54 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.555 1.159 . . . . 0.0 110.967 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.448 HD22 ' CD1' ' A' ' 168' ' ' ILE . 0.2 OUTLIER -156.46 99.35 2.1 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.51 0.771 . . . . 0.0 109.317 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 168.57 24.55 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.501 1.79 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 163' ' ' THR . 0.0 OUTLIER -64.3 -54.81 27.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 161' ' ' GLU . . . -36.89 -31.78 0.05 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.534 1.146 . . . . 0.0 111.042 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 161' ' ' GLU . 1.0 OUTLIER -100.0 142.52 24.77 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.578 0.81 . . . . 0.0 110.399 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 153.0 41.28 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.517 1.799 . . . . 0.0 110.956 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . 0.423 ' NZ ' ' HB3' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -120.28 -40.76 2.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . 0.541 ' CB ' ' HD3' ' A' ' 167' ' ' PRO . 0.2 OUTLIER -41.96 -54.85 6.75 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.336 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 167' ' ' PRO . . . . . 0.541 ' HD3' ' CB ' ' A' ' 166' ' ' ASP . 18.6 Cg_endo -74.91 -55.59 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.559 1.82 . . . . 0.0 111.072 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . 0.448 ' CD1' HD22 ' A' ' 159' ' ' LEU . 0.0 OUTLIER -39.71 -38.01 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . 0.47 HD12 ' CD1' ' A' ' 155' ' ' LEU . 5.4 tp -64.32 -64.72 0.81 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.629 1.206 . . . . 0.0 109.231 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . 0.495 ' O ' ' CB ' ' A' ' 174' ' ' TYR . 66.8 mtm180 -52.19 -36.16 51.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 0.0 110.298 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.77 -27.92 67.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.964 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 17.9 mt -84.48 -42.4 15.62 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 109.254 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . 0.407 ' O ' ' CB ' ' A' ' 177' ' ' ALA . . . -77.13 -1.29 28.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 174' ' ' TYR . . . . . 0.495 ' CB ' ' O ' ' A' ' 170' ' ' ARG . 52.3 t80 -106.91 -75.8 0.63 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.51 1.131 . . . . 0.0 111.027 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.66 -45.59 70.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.97 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . 0.466 ' HB3' ' CB ' ' A' ' 137' ' ' LEU . 3.4 m-20 -100.13 60.73 1.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.445 1.091 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . 0.538 ' O ' ' C ' ' A' ' 178' ' ' ASN . . . -136.8 65.9 1.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . 0.538 ' C ' ' O ' ' A' ' 177' ' ' ALA . 10.2 p-10 29.88 -147.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . 0.477 ' N ' ' CG ' ' A' ' 178' ' ' ASN . 0.2 OUTLIER -114.26 -57.03 2.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.429 1.081 . . . . 0.0 109.255 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . 0.486 ' N ' ' ND2' ' A' ' 178' ' ' ASN . 0.0 OUTLIER -41.79 -28.02 0.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.322 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 181' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 184' ' ' LEU . 14.5 t -86.93 -67.28 0.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 108.335 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . 0.429 ' O ' ' NE2' ' A' ' 186' ' ' GLN . 7.6 mt-30 -39.24 -32.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.15 -47.66 17.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.582 1.177 . . . . 0.0 109.347 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . 0.511 ' CD2' ' C ' ' A' ' 184' ' ' LEU . 2.7 tt -58.67 -50.23 74.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . 0.501 ' CD2' ' NE2' ' A' ' 190' ' ' HIS . 4.3 mt -51.87 -60.25 3.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . 0.429 ' NE2' ' O ' ' A' ' 182' ' ' GLN . 0.9 OUTLIER -53.28 -53.72 46.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.439 1.087 . . . . 0.0 110.31 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -53.6 -34.6 59.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . 0.474 ' CD ' ' HB3' ' A' ' 201' ' ' ALA . 0.0 OUTLIER -67.86 -31.6 71.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 67.69 61.22 5.15 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.477 1.111 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . 0.524 ' ND1' ' O ' ' A' ' 190' ' ' HIS . 0.9 OUTLIER -152.78 23.43 0.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 0.785 . . . . 0.0 109.571 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -53.14 -43.94 67.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 110.359 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -89.3 63.27 6.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 193' ' ' SER . . . . . 0.538 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER -146.11 179.85 1.09 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.038 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . 0.538 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.5 Cg_endo -75.03 175.25 11.5 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.477 1.777 . . . . 0.0 110.967 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 198' ' ' MET . 6.0 tp -71.54 -40.96 69.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -42.92 -36.23 2.51 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.51 1.131 . . . . 0.0 110.959 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -78.96 -38.26 37.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.58 0.812 . . . . 0.0 109.354 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 198' ' ' MET . . . . . 0.481 ' HA ' ' CE1' ' A' ' 190' ' ' HIS . 67.8 mmm -51.65 -42.5 62.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 111.034 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 199' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -80.25 -26.58 38.96 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.23 -7.43 57.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.261 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ALA . . . . . 0.474 ' HB3' ' CD ' ' A' ' 188' ' ' ARG . . . -100.69 -37.11 8.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.167 . . . . 0.0 109.352 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 202' ' ' CYS . . . . . . . . . . . . . 14.2 p -84.71 -14.25 48.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 108.34 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 203' ' ' GLN . . . . . 0.429 ' HG3' ' N ' ' A' ' 204' ' ' THR . 17.1 pt20 -49.41 -43.84 44.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 110.271 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 204' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 206' ' ' THR . 0.0 OUTLIER -77.0 -14.48 59.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 110.438 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 205' ' ' TRP . . . . . . . . . . . . . 8.6 t90 -71.22 60.79 0.29 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 107.973 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 206' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 204' ' ' THR . 22.0 p -124.95 158.47 62.85 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.454 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 56.56 4.32 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.405 1.739 . . . . 0.0 110.968 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 208' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.96 82.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.443 1.089 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -89.24 155.26 19.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 174.23 132.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 4.0 m 62.81 148.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.4 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -161.22 104.62 1.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.356 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 213' ' ' VAL . . . . . . . . . . . . . 7.9 p -154.52 156.9 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 214' ' ' LEU . . . . . . . . . . . . . 7.2 tt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 179.92 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 21.8 p80 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.46 164.73 27.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.527 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -139.81 166.7 23.91 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.448 1.093 . . . . 0.0 109.562 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -148.76 159.69 43.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.588 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -128.44 152.82 47.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.589 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.0 p -169.67 138.03 1.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.985 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 95.2 p -166.77 161.04 15.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.039 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.534 ' O ' ' CG ' ' A' ' 9' ' ' HIS . . . 178.57 -79.48 0.06 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.534 ' CG ' ' O ' ' A' ' 8' ' ' GLY . 27.6 p80 49.45 62.24 2.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.414 0.714 . . . . 0.0 109.568 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.4 mt -137.75 139.43 42.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 109.342 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.82 116.76 13.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.287 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -115.88 -155.19 10.57 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.446 1.091 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.564 ' O ' ' CD2' ' A' ' 14' ' ' HIS . 0.7 OUTLIER -137.89 68.94 1.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 0.726 . . . . 0.0 110.28 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.564 ' CD2' ' O ' ' A' ' 13' ' ' ARG . 7.8 p80 41.13 44.03 2.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.558 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.582 ' CB ' ' CD1' ' A' ' 48' ' ' PHE . 0.0 OUTLIER 80.27 152.74 0.12 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.416 1.072 . . . . 0.0 110.979 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.417 ' HG3' ' N ' ' A' ' 17' ' ' MET . 12.2 pt20 -156.3 -155.82 0.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.264 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.456 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -60.01 -57.82 11.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 19' ' ' ASP . 0.5 OUTLIER -44.85 -33.59 2.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.395 1.059 . . . . 0.0 109.257 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.481 ' OD2' ' CD2' ' A' ' 48' ' ' PHE . 1.3 m-20 -77.45 -40.73 42.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 17' ' ' MET . 46.5 mt -68.49 -31.39 70.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.433 ' NE2' ' OH ' ' A' ' 61' ' ' TYR . 99.4 mm-40 -67.06 -47.76 70.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.55 -42.24 98.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.461 ' O ' ' CG2' ' A' ' 27' ' ' VAL . 32.0 mt -54.14 -54.45 20.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.7 ttpp -52.49 -29.66 26.07 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -70.57 -71.04 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.409 ' CD ' ' CG2' ' A' ' 40' ' ' THR . 3.7 pt-20 -49.51 -31.03 9.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.561 HG11 ' CD1' ' A' ' 37' ' ' PHE . 59.8 t -68.07 -52.43 38.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.1 p -46.11 -33.41 3.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 1.172 . . . . 0.0 109.994 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -69.79 -37.59 76.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 110.277 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 27' ' ' VAL . . . -47.72 166.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.233 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.437 ' CB ' ' OG ' ' A' ' 34' ' ' SER . . . -104.7 163.22 17.66 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 117.31 4.85 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 64.78 43.66 95.89 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.461 1.1 . . . . 0.0 110.989 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.437 ' OG ' ' CB ' ' A' ' 31' ' ' ALA . 56.6 p -129.5 156.71 78.18 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.464 0.743 . . . . 0.0 109.971 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 49.38 2.24 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.591 1.838 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 19.0 tp60 -121.53 -47.26 2.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.303 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.561 ' CD1' HG11 ' A' ' 27' ' ' VAL . 5.0 t80 -66.52 -65.44 0.68 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 111.026 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.466 ' HE3' ' CD2' ' A' ' 118' ' ' LEU . 0.0 OUTLIER -47.23 -40.34 16.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -57.94 -39.97 79.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 110.323 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.409 ' CG2' ' CD ' ' A' ' 26' ' ' GLU . 1.1 m -65.85 -24.77 66.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 110.346 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.467 HG23 ' CD2' ' A' ' 118' ' ' LEU . 20.1 mm -70.65 -36.28 64.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.52 -33.74 64.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.249 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.2 tp -63.32 -34.27 77.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.425 ' HB1' ' CZ ' ' A' ' 48' ' ' PHE . . . -80.14 -39.1 30.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.43 ' HA ' ' CD ' ' A' ' 50' ' ' PRO . 0.4 OUTLIER -71.54 -9.28 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? -109.3 -31.75 7.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -63.48 -61.45 2.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 110.251 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.582 ' CD1' ' CB ' ' A' ' 15' ' ' MET . 0.2 OUTLIER -119.33 -36.37 3.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.985 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 48' ' ' PHE . 6.4 t0 82.09 96.54 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.58 1.175 . . . . 0.0 109.351 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.43 ' CD ' ' HA ' ' A' ' 45' ' ' VAL . 18.3 Cg_endo -75.0 124.31 8.53 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.447 1.762 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 34.4 p -63.64 -177.01 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.389 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.64 -45.68 66.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.95 -61.88 2.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.352 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -47.16 -36.82 9.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.26 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.489 HD22 ' CZ3' ' A' ' 117' ' ' TRP . 15.1 mt -68.3 -49.09 62.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.1 tp60 -50.76 -48.06 59.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.587 1.179 . . . . 0.0 110.287 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.416 ' C ' ' N ' ' A' ' 59' ' ' LEU . 0.4 OUTLIER -70.04 -56.95 5.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.426 HD13 ' CD2' ' A' ' 20' ' ' LEU . 21.1 tp -45.72 -25.97 0.57 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.464 HD22 ' CD2' ' A' ' 71' ' ' HIS . 39.9 tp -74.85 -53.28 9.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.93 23.55 2.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.208 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.433 ' OH ' ' NE2' ' A' ' 21' ' ' GLN . 42.4 t80 -119.4 -32.57 4.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.7 mt -97.71 -60.96 1.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.564 1.165 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.415 ' SG ' ' O ' ' A' ' 59' ' ' LEU . 13.6 p -84.74 -174.69 5.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 108.352 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 13.6 t -94.02 -173.66 3.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.018 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.0 t -71.74 -31.81 67.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.965 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.0 tp -57.71 -67.56 0.32 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.466 HG12 ' CD1' ' A' ' 124' ' ' LEU . 2.2 t -50.14 -52.26 14.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -46.67 -37.9 9.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.216 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.1 p -72.69 -50.33 25.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.147 . . . . 0.0 110.033 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 71.5 mt -52.02 -53.08 46.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.464 ' CD2' HD22 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -55.32 -43.0 74.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.081 . . . . 0.0 109.605 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -56.09 -22.4 27.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.646 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -81.13 -71.0 0.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.163 . . . . 0.0 110.358 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.408 ' OE1' ' O ' ' A' ' 120' ' ' ALA . 0.0 OUTLIER -49.37 -35.79 19.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.13 . . . . 0.0 110.288 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.42 ' CD2' ' HG ' ' A' ' 116' ' ' LEU . 1.2 tm? -72.11 -44.94 62.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -48.56 -49.1 37.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.079 . . . . 0.0 109.351 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.8 t -61.81 -37.13 83.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.978 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.465 HD22 ' CB ' ' A' ' 116' ' ' LEU . 12.3 tp -62.41 -41.59 98.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.076 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.407 ' CG2' HD23 ' A' ' 97' ' ' LEU . 18.4 mm -55.48 -52.94 41.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.5 t -51.28 -33.52 28.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.955 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -60.94 -43.88 98.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 110.283 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.73 -62.27 1.49 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -47.29 -33.89 6.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.1 m -65.68 -45.69 81.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 110.458 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -75.89 -3.54 35.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.254 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.69 -8.14 60.19 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.484 1.115 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.519 HD13 ' CG ' ' A' ' 90' ' ' TYR . 28.8 mt 57.11 163.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.56 0.8 . . . . 0.0 109.221 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.6 t -49.51 -59.75 3.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.371 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -153.69 54.16 0.44 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.449 1.093 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.519 ' CG ' HD13 ' A' ' 87' ' ' ILE . 48.7 t80 -79.53 154.0 29.13 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 0.754 . . . . 0.0 110.982 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -110.57 99.05 39.7 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -38.26 1.66 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.573 1.828 . . . . 0.0 111.015 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.519 ' CD2' ' C ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -53.04 -23.09 6.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.75 -65.38 0.8 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.408 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.521 ' N ' ' CD ' ' A' ' 96' ' ' PRO . . . 123.0 -49.31 0.9 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.458 1.099 . . . . 0.0 111.012 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.521 ' CD ' ' N ' ' A' ' 95' ' ' GLY . 18.5 Cg_endo -74.95 160.61 40.09 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.498 1.789 . . . . 0.0 111.064 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.458 HD13 ' CE1' ' A' ' 90' ' ' TYR . 34.2 tp -120.37 -47.78 2.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.12 -26.58 67.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 45.5 t -61.92 -47.73 91.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.167 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 29.1 mp0 -69.08 -35.16 76.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 0.0 110.33 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.2 -36.11 76.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -81.62 -11.02 59.27 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.454 1.096 . . . . 0.0 109.266 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -81.32 125.34 79.29 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.05 47.08 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.501 1.79 . . . . 0.0 110.995 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -145.86 17.59 1.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -143.55 61.59 1.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 110.291 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -30.48 69.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -65.96 -53.08 32.45 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.433 1.083 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.477 ' HG ' ' CG2' ' A' ' 87' ' ' ILE . 1.1 mt -71.37 -42.71 68.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 0.736 . . . . 0.0 109.242 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -48.11 -46.15 33.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 114' ' ' GLN . 61.3 mtt180 -69.88 -61.79 1.64 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 110.314 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.44 ' HG3' ' N ' ' A' ' 113' ' ' TYR . 0.0 OUTLIER -42.77 -27.12 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.588 1.18 . . . . 0.0 110.278 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.44 ' N ' ' HG3' ' A' ' 112' ' ' GLU . 7.2 t80 -76.72 -43.76 36.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 111' ' ' ARG . 53.4 mm-40 -52.26 -38.63 58.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.331 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -78.96 -59.08 2.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.087 . . . . 0.0 110.253 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.465 ' CB ' HD22 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -44.52 -37.31 3.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.19 -179.911 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.579 ' CH2' ' CE2' ' A' ' 121' ' ' PHE . 61.2 t90 -66.05 -60.22 3.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 107.977 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.467 ' CD2' HG23 ' A' ' 41' ' ' ILE . 74.7 mt -51.03 -25.44 4.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.103 . . . . 0.0 109.318 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.45 -65.44 0.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.408 ' O ' ' OE1' ' A' ' 74' ' ' GLN . . . -50.65 -45.04 57.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.579 ' CE2' ' CH2' ' A' ' 117' ' ' TRP . 0.4 OUTLIER -57.02 -31.54 65.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.155 . . . . 0.0 110.942 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -101.57 10.08 40.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -105.42 -0.07 26.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.466 ' CD1' HG12 ' A' ' 67' ' ' VAL . 82.4 mt -62.78 154.9 73.34 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 55.89 4.07 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.417 1.746 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 127' ' ' SER . . . 104.1 48.88 1.11 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.52 1.138 . . . . 0.0 111.027 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 126' ' ' GLY . 1.6 t -39.08 123.36 1.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.42 0.718 . . . . 0.0 110.058 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 63.77 72.31 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -88.25 -168.78 2.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 21.0 p-10 -168.47 126.9 0.94 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 109.314 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 159.12 41.83 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.475 1.776 . . . . 0.0 111.073 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 72.4 m -75.1 -29.44 60.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.013 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.564 ' CD1' HD21 ' A' ' 155' ' ' LEU . 29.3 p-90 -75.37 -13.11 60.38 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.554 1.159 . . . . 0.0 107.976 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.09 -9.43 46.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.133 . . . . 0.0 109.268 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 71.0 m -131.28 31.13 4.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 109.964 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.48 ' CD1' ' HA ' ' A' ' 133' ' ' TRP . 97.0 mt -118.87 115.85 49.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.591 ' O ' ' CZ ' ' A' ' 147' ' ' PHE . 0.7 OUTLIER -136.26 162.28 33.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.574 1.171 . . . . 0.0 109.349 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . 0.475 ' CA ' ' OE1' ' A' ' 138' ' ' GLN . 4.9 tp60 -93.0 98.96 11.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 110.266 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . 0.472 ' O ' ' NE2' ' A' ' 138' ' ' GLN . . . -63.34 154.15 45.23 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.436 1.085 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -66.38 -24.26 66.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 0.765 . . . . 0.0 109.307 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -117.04 40.71 2.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.271 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -139.99 159.6 63.77 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.235 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 110.27 3.08 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.475 1.776 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -71.69 -48.35 47.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . 0.451 ' CD2' ' C ' ' A' ' 145' ' ' HIS . 0.7 OUTLIER -52.09 -53.74 38.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.534 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -59.42 -40.03 85.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.233 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . 0.591 ' CZ ' ' O ' ' A' ' 137' ' ' LEU . 0.1 OUTLIER -58.62 -46.0 88.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 111.007 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 25.3 t -54.81 -42.54 62.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -61.56 -60.77 3.19 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.135 . . . . 0.0 110.328 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.09 -26.9 41.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.343 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.462 ' HB3' ' CD1' ' A' ' 169' ' ' LEU . 1.3 mt -64.68 -53.31 49.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.577 1.173 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -57.85 -37.98 74.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 39.2 mt -65.88 -69.67 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.354 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -43.87 -29.74 0.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.259 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 0.564 HD21 ' CD1' ' A' ' 133' ' ' TRP . 9.2 mt -74.17 -51.1 16.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -53.62 -20.19 4.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -115.04 24.55 11.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.248 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -173.27 33.13 0.11 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.506 1.128 . . . . 0.0 110.96 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 155' ' ' LEU . 0.2 OUTLIER -148.23 109.19 3.67 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.748 . . . . 0.0 109.287 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 154.69 42.74 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.572 1.828 . . . . 0.0 111.072 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -66.13 -39.36 89.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 110.324 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -40.27 -32.65 0.44 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -115.42 147.86 39.64 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.488 0.758 . . . . 0.0 110.391 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 147.82 34.82 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.536 1.808 . . . . 0.0 111.035 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.45 -30.32 7.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . 0.516 ' N ' ' CD ' ' A' ' 167' ' ' PRO . 0.2 OUTLIER -41.1 -51.92 7.39 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 167' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 166' ' ' ASP . 18.4 Cg_endo -74.96 -52.42 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.54 1.81 . . . . 0.0 110.981 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . 0.473 ' CG2' HD22 ' A' ' 155' ' ' LEU . 0.0 OUTLIER -45.91 -44.08 4.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.587 1.18 . . . . 0.0 109.344 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . 0.462 ' CD1' ' HB3' ' A' ' 151' ' ' LEU . 20.0 tp -63.26 -67.06 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . 0.43 ' HB3' ' NH1' ' A' ' 170' ' ' ARG . 10.5 ttp-105 -43.57 -28.84 0.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.362 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 171' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 175' ' ' SER . 0.2 OUTLIER -78.6 -49.42 13.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.99 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 35.7 mt -56.8 -24.78 53.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.565 1.166 . . . . 0.0 109.338 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -87.91 -69.82 0.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 174' ' ' TYR . . . . . 0.466 ' O ' ' N ' ' A' ' 176' ' ' ASN . 14.1 t80 -66.6 -67.73 0.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 0.0 111.019 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 175' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 171' ' ' SER . 0.3 OUTLIER -37.53 -31.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.015 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . 0.492 ' HB3' ' CD2' ' A' ' 137' ' ' LEU . 38.4 m-20 -126.25 55.05 1.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 174' ' ' TYR . . . -115.57 142.25 46.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . 0.62 ' ND2' ' H ' ' A' ' 181' ' ' CYS . 7.1 p-10 -53.54 -172.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . 0.42 ' C ' ' N ' ' A' ' 181' ' ' CYS . 0.2 OUTLIER -76.09 -62.87 1.46 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -44.23 -25.2 0.21 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.543 1.152 . . . . 0.0 110.295 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 181' ' ' CYS . . . . . 0.62 ' H ' ' ND2' ' A' ' 178' ' ' ASN . 1.2 m -81.7 -69.04 0.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 108.327 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . 0.44 ' O ' ' NE2' ' A' ' 186' ' ' GLN . 4.5 mt-30 -43.2 -39.25 2.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -41.48 75.9 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . 0.504 ' CD2' ' C ' ' A' ' 184' ' ' LEU . 3.0 tt -64.74 -57.66 8.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . 0.54 ' CD2' ' NE2' ' A' ' 190' ' ' HIS . 5.4 mt -46.64 -49.87 18.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . 0.44 ' NE2' ' O ' ' A' ' 182' ' ' GLN . 0.9 OUTLIER -61.0 -62.05 2.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 110.279 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -47.56 -29.27 2.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.42 1.075 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.23 -38.43 68.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.338 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 189' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 186' ' ' GLN . . . 75.75 57.67 4.07 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.5 1.125 . . . . 0.0 111.067 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 190' ' ' HIS . . . . . 0.54 ' NE2' ' CD2' ' A' ' 185' ' ' LEU . 0.8 OUTLIER -154.34 23.81 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 0.801 . . . . 0.0 109.606 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -51.77 -44.65 63.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.44 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -92.9 66.73 4.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.361 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 193' ' ' SER . . . . . 0.545 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER -145.54 -179.85 1.03 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.079 . . . . 0.0 109.971 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . 0.545 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.0 Cg_endo -74.99 171.72 17.77 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.502 1.791 . . . . 0.0 110.978 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . 0.46 ' HG ' ' CD2' ' A' ' 199' ' ' LEU . 9.7 tp -65.81 -39.58 91.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -45.15 -38.25 6.21 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.471 1.107 . . . . 0.0 111.049 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . 0.424 ' HB3' ' ND1' ' A' ' 190' ' ' HIS . 8.8 m-20 -76.77 -32.58 57.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 198' ' ' MET . . . . . 0.458 ' N ' ' O ' ' A' ' 195' ' ' LEU . 68.5 mmm -61.91 -47.47 84.79 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.439 1.087 . . . . 0.0 111.021 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 199' ' ' LEU . . . . . 0.46 ' CD2' ' HG ' ' A' ' 195' ' ' LEU . 2.1 mm? -74.69 -19.72 60.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.344 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.33 -10.08 53.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -99.06 -30.45 12.32 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.463 1.102 . . . . 0.0 109.347 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 202' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 205' ' ' TRP . 13.9 p -91.4 -14.57 30.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 108.341 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 203' ' ' GLN . . . . . 0.4 ' HG3' ' N ' ' A' ' 204' ' ' THR . 9.0 pt20 -46.64 -34.23 4.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.378 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 204' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 206' ' ' THR . 0.0 OUTLIER -85.69 -25.34 26.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.406 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 205' ' ' TRP . . . . . 0.452 ' N ' ' O ' ' A' ' 202' ' ' CYS . 6.1 t90 -71.34 61.2 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 108.04 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 206' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 204' ' ' THR . 45.2 p -142.3 152.08 59.94 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.592 1.183 . . . . 0.0 110.366 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 91.23 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.51 1.795 . . . . 0.0 111.019 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 208' ' ' LYS . . . . . . . . . . . . . 11.0 ttmt -169.19 101.17 0.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 172.81 -58.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -174.52 174.8 2.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.414 1.071 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 21.0 m -70.88 114.75 9.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.403 1.064 . . . . 0.0 110.406 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.8 146.49 1.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 213' ' ' VAL . . . . . . . . . . . . . 80.8 t -48.0 -68.05 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 214' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.572 ' HG3' ' CZ ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.418 0.151 . . . . 0.0 111.022 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.423 ' HG3' ' CG ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -80.27 -167.66 1.4 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.605 1.191 . . . . 0.0 110.235 -179.916 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.7 tpt -72.54 -57.39 4.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.423 ' CG ' ' HG3' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -47.61 -31.94 5.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.414 ' N ' ' HG3' ' A' ' 18' ' ' LYS . 38.1 m-20 -63.82 -43.64 95.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.517 HD21 ' HE1' ' A' ' 15' ' ' MET . 8.1 mt -71.29 -32.15 68.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 109.349 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 73.2 mm-40 -64.27 -41.99 96.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 110.336 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.29 -45.82 89.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.385 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.653 HG22 HD11 ' A' ' 62' ' ' LEU . 43.2 mt -57.35 -48.5 82.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.344 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.522 ' HA ' HD21 ' A' ' 62' ' ' LEU . 0.4 OUTLIER -49.48 -35.96 21.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 28' ' ' SER . 6.0 mt-30 -69.55 -72.74 0.18 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.51 1.131 . . . . 0.0 110.336 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.445 ' CG ' ' HA ' ' A' ' 23' ' ' ILE . 14.0 pt-20 -44.28 -26.32 0.31 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.544 1.152 . . . . 0.0 110.296 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.578 HG13 ' HD1' ' A' ' 37' ' ' PHE . 13.2 t -81.49 -43.85 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' GLN . 0.1 OUTLIER -51.25 -26.77 7.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 110.014 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.64 -37.57 56.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.38 166.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.446 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -107.07 162.98 17.93 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.411 1.069 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.446 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.2 Cg_endo -75.04 112.62 3.6 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.425 1.75 . . . . 0.0 111.047 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 72.45 49.35 20.01 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.428 1.08 . . . . 0.0 111.003 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.6 155.3 75.3 Favored Pre-proline 0 C--N 1.323 -0.545 0 O-C-N 124.518 0.775 . . . . 0.0 110.03 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 49.92 2.41 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.422 1.749 . . . . 0.0 110.966 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.5 tp60 -121.12 -47.25 2.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 110.336 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.578 ' HD1' HG13 ' A' ' 27' ' ' VAL . 3.6 t80 -66.12 -62.58 1.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.606 ' HE1' HD22 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -50.25 -47.05 55.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.96 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -53.36 -42.68 67.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.267 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.478 HG21 HG23 ' A' ' 27' ' ' VAL . 1.3 m -61.82 -26.14 67.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 110.37 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.676 HG22 HD21 ' A' ' 118' ' ' LEU . 20.1 mm -68.83 -49.68 61.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.374 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.532 ' HG3' HD13 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -59.54 -27.1 65.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.107 . . . . 0.0 110.354 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.1 tp -69.95 -40.66 75.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.226 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.15 -39.97 71.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.473 HG22 ' HD2' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -69.11 -31.44 50.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -86.35 -12.33 49.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 110.245 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -80.59 -72.45 0.41 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.572 ' CZ ' ' HG3' ' A' ' 15' ' ' MET . 9.4 p90 -113.15 -25.53 8.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.941 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.403 ' OD1' ' C ' ' A' ' 48' ' ' PHE . 1.4 m-20 72.79 93.92 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.473 ' HD2' HG22 ' A' ' 45' ' ' VAL . 18.4 Cg_endo -74.95 125.48 9.38 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.547 1.814 . . . . 0.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.5 p -58.84 -170.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.418 1.074 . . . . 0.0 110.36 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.7 -44.54 85.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.083 . . . . 0.0 109.273 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.19 -56.62 16.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -53.73 -49.6 67.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 1.024 HD13 ' CG ' ' A' ' 117' ' ' TRP . 13.6 mt -51.79 -41.45 61.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.85 -56.23 15.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.332 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -65.07 -51.5 61.09 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.412 1.07 . . . . 0.0 109.248 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.455 HD22 ' HE1' ' A' ' 15' ' ' MET . 21.1 tp -46.07 -32.2 2.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 36.8 tp -69.29 -50.34 47.69 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.486 1.116 . . . . 0.0 109.247 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.81 23.52 2.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.311 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.434 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 91.3 t80 -116.44 -52.94 2.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.575 1.172 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.653 HD11 HG22 ' A' ' 23' ' ' ILE . 10.1 mt -98.34 -58.22 2.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.469 ' HB3' ' CG1' ' A' ' 67' ' ' VAL . 22.9 m -59.22 171.06 0.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 108.328 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.28 171.44 9.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.976 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.561 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 40.6 t -58.17 -70.75 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.986 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.6 tp -45.3 -54.22 7.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.469 ' CG1' ' HB3' ' A' ' 63' ' ' CYS . 1.4 t -46.63 -45.59 7.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 65' ' ' SER . . . -52.06 -42.11 62.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.7 t -65.31 -60.36 3.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.018 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 89.7 mt -46.45 -47.82 19.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.746 ' NE2' ' HB3' ' A' ' 120' ' ' ALA . 65.8 t-80 -62.84 -46.34 88.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.619 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.81 -34.27 53.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.587 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -73.38 -36.1 66.02 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.445 1.091 . . . . 0.0 110.335 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -58.72 -56.46 21.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.143 . . . . 0.0 110.346 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.641 HD22 HD21 ' A' ' 116' ' ' LEU . 4.7 mt -54.42 -53.28 56.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.73 -36.16 0.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.14 -51.49 9.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 110.013 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.844 HD23 ' HG ' ' A' ' 116' ' ' LEU . 4.6 tp -49.34 -52.9 25.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.526 HG12 HD21 ' A' ' 97' ' ' LEU . 1.2 mp -56.94 -44.38 82.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.1 p -44.71 -35.2 2.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.991 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -77.45 -36.25 53.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 110.305 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.793 ' HB1' HG12 ' A' ' 87' ' ' ILE . . . -69.13 -69.36 0.34 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.234 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -44.94 -37.88 4.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.362 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.5 m -59.96 -42.89 95.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.379 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.47 -0.31 41.16 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.552 1.157 . . . . 0.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.7 -8.76 61.35 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.604 1.19 . . . . 0.0 111.043 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.837 HG21 HD11 ' A' ' 109' ' ' LEU . 37.0 mt 59.48 154.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 0.759 . . . . 0.0 109.322 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.676 HG23 ' H ' ' A' ' 89' ' ' GLY . 0.1 OUTLIER -36.3 -80.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.531 1.144 . . . . 0.0 110.431 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.676 ' H ' HG23 ' A' ' 88' ' ' THR . . . -134.56 54.34 0.76 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.475 1.109 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.454 ' CB ' ' HB ' ' A' ' 87' ' ' ILE . 35.6 t80 -81.18 163.75 22.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 0.765 . . . . 0.0 110.982 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -115.95 87.57 19.13 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.105 0 O-C-N 124.503 1.791 . . . . 0.0 110.959 -179.983 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.493 ' HB2' ' CG2' ' A' ' 99' ' ' VAL . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.875 0 N-CA-C 110.971 -0.434 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.526 HD21 HG12 ' A' ' 79' ' ' ILE . 11.5 tp -120.65 -62.84 1.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.457 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 0.0 OUTLIER -46.05 -29.22 1.4 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 0.0 110.323 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.493 ' CG2' ' HB2' ' A' ' 96' ' ' PRO . 89.4 t -61.06 -44.99 99.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.475 ' CG ' ' OE1' ' A' ' 106' ' ' GLN . 21.8 mp0 -67.38 -32.79 73.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.95 -20.23 59.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.575 1.172 . . . . 0.0 109.338 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 98' ' ' ARG . 56.5 m-80 -102.74 1.24 34.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.245 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -80.35 125.01 82.08 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.612 1.195 . . . . 0.0 109.228 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 48.08 1.9 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 0.0 111.07 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -144.33 -45.43 0.25 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.475 ' OE1' ' CG ' ' A' ' 100' ' ' GLN . 28.6 mt-30 -79.65 108.94 13.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.302 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -103.19 -24.22 13.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 110.352 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -72.27 -48.35 25.42 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.55 1.156 . . . . 0.0 111.039 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.837 HD11 HG21 ' A' ' 87' ' ' ILE . 0.5 OUTLIER -75.85 -44.27 41.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 0.759 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.43 -46.43 37.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.16 -47.97 69.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -54.01 -35.72 62.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 110.234 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -67.27 -39.42 86.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.82 -46.45 84.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.289 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.43 -39.76 58.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.158 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.844 ' HG ' HD23 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -57.36 -44.57 84.49 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 1.024 ' CG ' HD13 ' A' ' 55' ' ' LEU . 48.2 t90 -61.47 -61.83 2.26 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.458 1.099 . . . . 0.0 108.068 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.676 HD21 HG22 ' A' ' 41' ' ' ILE . 85.2 mt -44.82 -31.44 1.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.734 ' HB3' ' O ' ' A' ' 116' ' ' LEU . . . -58.47 -59.02 6.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.746 ' HB3' ' NE2' ' A' ' 71' ' ' HIS . . . -61.22 -32.12 71.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.797 ' CE1' ' CZ2' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -67.04 -27.6 67.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -102.79 2.41 35.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.261 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -98.01 1.92 48.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 109.352 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.409 ' HA ' ' HD3' ' A' ' 125' ' ' PRO . 61.9 mt -73.49 147.39 87.22 Favored Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 124' ' ' LEU . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.089 0 O-C-N 124.601 1.842 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' PRO . . . . . 0.411 ' O ' ' HB3' ' A' ' 134' ' ' ALA . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.89 0 N-CA-C 111.031 -0.411 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.81 -27.42 57.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.974 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.836 ' HA ' HD12 ' A' ' 136' ' ' ILE . 22.2 p-90 -73.03 -15.08 61.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.17 . . . . 0.0 107.968 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 131' ' ' PRO . . . -64.89 -11.86 42.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.64 34.48 3.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.021 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.836 HD12 ' HA ' ' A' ' 133' ' ' TRP . 53.2 mt -117.94 118.27 57.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.609 1.193 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -137.98 158.57 44.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.35 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' GLN . . . . . 0.581 ' HG2' ' CD2' ' A' ' 147' ' ' PHE . 0.1 OUTLIER -74.08 117.74 16.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -66.78 150.41 51.92 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.587 1.18 . . . . 0.0 111.001 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.701 HD13 ' O ' ' A' ' 140' ' ' LEU . 1.6 tm? -59.54 -22.07 61.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 0.736 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -135.33 53.29 1.98 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.269 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -126.0 160.7 55.57 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.311 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 143' ' ' PRO . . . . . 0.587 ' HB2' ' HB3' ' A' ' 146' ' ' ALA . 18.1 Cg_endo -75.02 80.88 2.34 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.576 1.829 . . . . 0.0 110.969 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 144' ' ' TYR . . . . . 1.022 ' O ' HG23 ' A' ' 148' ' ' VAL . 30.6 t80 -36.84 -51.34 0.89 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 0.0 111.024 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 145' ' ' HIS . . . . . 0.456 ' HA ' HD12 ' A' ' 199' ' ' LEU . 0.1 OUTLIER -54.58 -57.9 9.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.601 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.587 ' HB3' ' HB2' ' A' ' 143' ' ' PRO . . . -58.45 -39.81 80.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 147' ' ' PHE . . . . . 0.615 ' CZ ' HD12 ' A' ' 151' ' ' LEU . 6.6 t80 -59.9 -48.29 82.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 111.044 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 1.022 HG23 ' O ' ' A' ' 144' ' ' TYR . 21.5 t -55.5 -45.99 78.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -55.77 -57.34 12.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.424 1.078 . . . . 0.0 110.278 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 150' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 153' ' ' ILE . 6.3 ttm105 -55.29 -52.48 63.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.291 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.718 ' O ' HD12 ' A' ' 155' ' ' LEU . 0.5 OUTLIER -41.02 -41.3 1.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 152' ' ' ASN . . . . . 0.516 ' OD1' HD22 ' A' ' 169' ' ' LEU . 3.9 t30 -64.58 -48.4 75.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 153' ' ' ILE . . . . . 0.448 ' N ' ' O ' ' A' ' 150' ' ' ARG . 51.1 mt -63.54 -69.31 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 154' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 153' ' ' ILE . . . -39.64 -30.85 0.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 0.718 HD12 ' O ' ' A' ' 151' ' ' LEU . 2.5 mt -68.45 -63.97 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.342 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -49.62 -22.82 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 157' ' ' ASN . . . . . 0.403 ' N ' ' C ' ' A' ' 155' ' ' LEU . 0.6 OUTLIER -65.26 -24.57 67.35 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -150.39 43.57 0.72 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.541 1.151 . . . . 0.0 110.975 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.671 HD12 ' HB2' ' A' ' 165' ' ' LYS . 0.3 OUTLIER -122.43 102.72 39.14 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.536 0.786 . . . . 0.0 109.335 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 139.71 24.76 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.425 1.75 . . . . 0.0 111.043 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -50.22 -31.8 14.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -59.92 -23.3 58.99 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.491 1.12 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 163' ' ' THR . . . . . 0.627 HG23 ' HD2' ' A' ' 164' ' ' PRO . 1.5 m -114.45 143.23 29.47 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.491 0.759 . . . . 0.0 110.382 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 164' ' ' PRO . . . . . 0.627 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.2 Cg_endo -74.96 147.96 34.81 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.42 1.747 . . . . 0.0 110.99 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 165' ' ' LYS . . . . . 0.671 ' HB2' HD12 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -119.75 -39.82 2.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 166' ' ' ASP . . . . . 0.503 ' N ' ' CD ' ' A' ' 167' ' ' PRO . 0.5 OUTLIER -40.3 -51.97 5.99 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 167' ' ' PRO . . . . . 0.503 ' CD ' ' N ' ' A' ' 166' ' ' ASP . 18.3 Cg_endo -74.99 -55.26 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.552 1.817 . . . . 0.0 111.003 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 168' ' ' ILE . . . . . 0.403 HG21 HD22 ' A' ' 155' ' ' LEU . 0.0 OUTLIER -41.56 -40.67 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 169' ' ' LEU . . . . . 0.516 HD22 ' OD1' ' A' ' 152' ' ' ASN . 68.2 tp -63.02 -55.86 21.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 8.4 mtm180 -57.97 -17.75 19.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.286 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 171' ' ' SER . . . . . 0.45 ' O ' ' CB ' ' A' ' 175' ' ' SER . 0.2 OUTLIER -87.49 -36.18 17.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 109.969 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.59 HD21 ' CE3' ' A' ' 133' ' ' TRP . 6.0 mt -78.74 -20.62 49.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.224 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 173' ' ' ALA . . . . . 0.55 ' O ' ' HB2' ' A' ' 177' ' ' ALA . . . -84.75 -33.99 22.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 174' ' ' TYR . . . . . 0.407 ' C ' ' N ' ' A' ' 176' ' ' ASN . 5.0 t80 -107.45 -73.27 0.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 175' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 171' ' ' SER . 0.1 OUTLIER -39.9 -31.55 0.12 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.055 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 176' ' ' ASN . . . . . 0.407 ' N ' ' C ' ' A' ' 174' ' ' TYR . 3.7 m-80 -117.26 60.31 0.76 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.419 1.074 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 177' ' ' ALA . . . . . 0.55 ' HB2' ' O ' ' A' ' 173' ' ' ALA . . . -126.31 140.0 52.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.554 1.159 . . . . 0.0 109.236 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 178' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 140' ' ' LEU . 0.7 OUTLIER -46.96 172.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.419 ' C ' ' N ' ' A' ' 181' ' ' CYS . 5.0 mtmm -61.13 -71.88 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 180' ' ' GLU . . . . . 0.403 ' HB2' HD21 ' A' ' 140' ' ' LEU . 0.1 OUTLIER -43.69 -26.4 0.24 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.261 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 181' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 184' ' ' LEU . 1.8 t -75.06 -65.09 0.92 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.558 1.161 . . . . 0.0 108.282 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -48.69 -33.98 11.09 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 110.314 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -71.35 -32.06 68.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.44 1.088 . . . . 0.0 109.218 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.566 HD23 ' O ' ' A' ' 184' ' ' LEU . 2.8 tt -68.84 -56.2 8.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.249 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 185' ' ' LEU . . . . . 0.549 ' CD2' ' NE2' ' A' ' 190' ' ' HIS . 3.1 mt -49.19 -52.19 28.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.584 1.177 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 186' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 189' ' ' GLY . 0.1 OUTLIER -60.78 -57.77 11.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.233 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -51.01 -22.6 2.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.26 -28.86 26.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.082 . . . . 0.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 189' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 186' ' ' GLN . . . 64.76 61.26 6.04 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 190' ' ' HIS . . . . . 0.549 ' NE2' ' CD2' ' A' ' 185' ' ' LEU . 0.4 OUTLIER -154.86 29.45 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 0.732 . . . . 0.0 109.658 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 77.4 p -56.82 -61.74 2.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.425 1.078 . . . . 0.0 110.395 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -75.25 61.36 1.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.245 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 193' ' ' SER . . . . . 0.54 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER -140.78 -179.57 1.02 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.014 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 194' ' ' PRO . . . . . 0.54 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.1 Cg_endo -75.09 172.56 16.11 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.455 1.766 . . . . 0.0 110.981 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 195' ' ' LEU . . . . . 0.98 HD12 ' SD ' ' A' ' 198' ' ' MET . 9.8 tp -71.01 -40.01 72.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -45.92 -36.98 7.11 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.584 1.178 . . . . 0.0 110.936 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 197' ' ' ASP . . . . . 0.413 ' HB3' ' ND1' ' A' ' 190' ' ' HIS . 7.3 m-20 -75.08 -32.31 61.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 0.751 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 198' ' ' MET . . . . . 0.98 ' SD ' HD12 ' A' ' 195' ' ' LEU . 71.2 mtp -63.7 -37.56 87.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 199' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 145' ' ' HIS . 3.0 mm? -77.03 -24.03 52.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.19 -13.34 50.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.354 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -92.13 -29.82 16.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 202' ' ' CYS . . . . . 0.608 ' SG ' ' CD2' ' A' ' 144' ' ' TYR . 64.0 m -93.91 -21.07 19.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 108.282 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 203' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 202' ' ' CYS . 13.0 pt20 -38.15 -32.35 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 204' ' ' THR . . . . . 0.419 ' N ' ' O ' ' A' ' 202' ' ' CYS . 4.6 t . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.362 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.594 ' SD ' ' CZ ' ' A' ' 48' ' ' PHE . 1.3 tpt . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.487 0.184 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -98.05 163.32 12.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 110.278 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -43.68 -29.77 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 111.037 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.08 -56.02 25.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -50.58 -52.02 42.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.609 HD21 ' HB2' ' A' ' 58' ' ' LEU . 14.2 mt -58.78 -38.06 77.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.9 -55.19 37.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.41 ' O ' ' CD ' ' A' ' 26' ' ' GLU . . . -54.56 -41.58 69.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.561 HD12 ' HA ' ' A' ' 20' ' ' LEU . 48.5 mt -60.74 -50.71 79.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.339 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.732 ' HA ' HD21 ' A' ' 62' ' ' LEU . 2.6 tttp -56.28 -30.3 62.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -72.83 -72.44 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.579 1.175 . . . . 0.0 110.3 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.46 ' HG3' ' CG2' ' A' ' 40' ' ' THR . 1.0 OUTLIER -45.04 -31.53 1.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.822 HG23 HG21 ' A' ' 40' ' ' THR . 3.3 t -71.83 -54.95 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.66 -48.02 2.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.981 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -54.89 -43.33 73.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.324 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 36' ' ' GLN . . . -52.61 170.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.664 ' HB3' ' HB2' ' A' ' 34' ' ' SER . . . -114.96 163.38 19.87 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.466 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.2 Cg_endo -75.02 74.71 3.93 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.498 1.789 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 142.79 -26.12 2.24 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.524 1.14 . . . . 0.0 110.958 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.664 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -65.14 141.22 98.22 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.472 0.748 . . . . 0.0 110.005 -179.899 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 51.82 2.89 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.455 1.766 . . . . 0.0 110.939 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.469 ' HB3' ' CB ' ' A' ' 30' ' ' ALA . 2.2 tp60 -120.94 -44.84 2.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 110.292 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.502 ' HD1' HG13 ' A' ' 27' ' ' VAL . 4.2 t80 -61.26 -61.63 2.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.604 ' HE1' HD22 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -52.14 -45.07 64.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.997 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -55.85 -44.13 77.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 110.275 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.822 HG21 HG23 ' A' ' 27' ' ' VAL . 1.1 m -57.64 -30.05 65.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 110.385 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.764 HG22 HD21 ' A' ' 118' ' ' LEU . 5.2 mm -68.47 -42.66 83.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.37 -29.21 66.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.79 -32.05 72.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.421 1.075 . . . . 0.0 109.293 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -83.16 -36.0 25.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -71.96 -25.0 23.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -95.44 -14.4 23.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 0.0 110.322 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -79.41 -76.13 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.274 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.594 ' CZ ' ' SD ' ' A' ' 15' ' ' MET . 5.2 p90 -110.24 -22.32 11.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.965 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 71.5 95.14 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.246 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.01 118.95 5.45 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.475 1.776 . . . . 0.0 110.989 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 31.5 p -56.01 164.94 1.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.416 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.455 ' HB3' ' HB2' ' A' ' 98' ' ' ARG . . . -46.36 -36.26 6.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.583 1.177 . . . . 0.0 109.31 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -62.24 -59.15 5.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.233 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -54.65 -27.8 42.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.999 HD13 ' CG ' ' A' ' 117' ' ' TRP . 12.6 mt -70.09 -46.98 63.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.076 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -52.07 -48.2 64.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.406 ' C ' ' N ' ' A' ' 59' ' ' LEU . 1.1 t70 -70.77 -53.89 13.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.259 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.609 ' HB2' HD21 ' A' ' 20' ' ' LEU . 17.1 tp -48.1 -24.43 1.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.406 ' N ' ' C ' ' A' ' 57' ' ' ASP . 34.1 tp -76.98 -50.02 14.13 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.509 1.131 . . . . 0.0 109.258 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -89.13 22.25 2.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.563 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 58.4 t80 -120.18 -36.14 3.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.732 HD21 ' HA ' ' A' ' 24' ' ' LYS . 4.2 mt -91.98 -61.96 1.52 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.437 ' SG ' HG12 ' A' ' 67' ' ' VAL . 13.7 p -86.59 179.1 6.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 108.246 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.76 -162.59 0.79 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.123 . . . . 0.0 110.029 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 64.4 m -81.8 -37.2 27.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.011 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.2 tp -55.98 -62.46 1.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.465 HG13 HD13 ' A' ' 124' ' ' LEU . 2.7 t -51.11 -52.4 18.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -49.69 -36.14 24.11 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 p -71.79 -41.68 68.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.007 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 52.6 mt -61.69 -49.0 78.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.589 1.181 . . . . 0.0 109.303 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.554 ' CD2' ' HB3' ' A' ' 120' ' ' ALA . 0.1 OUTLIER -61.9 -34.82 76.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.622 1.201 . . . . 0.0 109.565 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 8.6 m170 -56.97 -36.11 69.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.414 1.071 . . . . 0.0 109.64 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -69.84 -53.54 17.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.085 . . . . 0.0 110.328 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.421 ' OE1' ' HB1' ' A' ' 123' ' ' ALA . 0.5 OUTLIER -56.65 -45.15 81.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.762 HD11 HD21 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -58.07 -45.99 86.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -55.39 -57.59 11.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.92 -29.39 65.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.069 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.873 HD23 ' HG ' ' A' ' 116' ' ' LEU . 2.1 tp -64.58 -68.3 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.538 HD12 HD13 ' A' ' 75' ' ' LEU . 1.3 mp -50.11 -43.98 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.0 t -46.38 -40.12 11.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.436 1.085 . . . . 0.0 109.982 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -74.58 -29.27 61.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 110.301 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.91 ' HB1' HG12 ' A' ' 87' ' ' ILE . . . -65.75 -60.74 2.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -53.86 -38.86 65.14 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.4 m -65.09 -48.08 74.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 110.435 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.25 -0.02 23.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 110.265 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 73.4 93.01 0.11 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.441 1.088 . . . . 0.0 110.898 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.91 HG12 ' HB1' ' A' ' 82' ' ' ALA . 62.8 mt -57.89 151.6 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.561 0.801 . . . . 0.0 109.303 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.65 HG23 ' H ' ' A' ' 89' ' ' GLY . 0.1 OUTLIER -38.76 -84.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.432 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.65 ' H ' HG23 ' A' ' 88' ' ' THR . . . -129.2 60.26 0.68 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.512 1.132 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -82.12 148.46 28.52 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.472 0.748 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -112.6 96.24 35.82 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.413 1.071 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.511 1.795 . . . . 0.0 110.99 -179.976 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.481 ' HB2' ' CG2' ' A' ' 99' ' ' VAL . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.95 0 N-CA-C 111.035 -0.41 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.441 ' CD2' HG12 ' A' ' 79' ' ' ILE . 8.7 tp -120.77 -48.61 2.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.455 ' HB2' ' HB3' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -65.77 -16.63 63.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 110.323 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.481 ' CG2' ' HB2' ' A' ' 96' ' ' PRO . 81.8 t -73.75 -62.79 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -69.38 -6.78 32.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.273 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -83.16 -33.81 26.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.571 1.17 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.403 ' CG ' ' O ' ' A' ' 98' ' ' ARG . 1.7 m-20 -93.07 14.52 17.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.431 ' ND2' ' OE1' ' A' ' 105' ' ' GLN . 2.6 t30 -85.47 150.03 53.21 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -34.14 4.03 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.507 1.793 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.431 ' OE1' ' ND2' ' A' ' 103' ' ' ASN . 15.0 pt20 -71.35 -49.26 44.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.258 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.403 ' CD ' ' O ' ' A' ' 89' ' ' GLY . 7.0 mm100 -79.79 74.4 6.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.337 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -85.98 -16.66 37.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.227 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -69.37 -58.28 6.7 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.508 1.13 . . . . 0.0 111.049 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.867 HD11 HG21 ' A' ' 87' ' ' ILE . 0.5 OUTLIER -71.02 -18.53 62.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 0.739 . . . . 0.0 109.248 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 55.9 ttp180 -65.25 -56.32 13.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.304 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.418 ' HG3' ' N ' ' A' ' 112' ' ' GLU . 0.3 OUTLIER -69.01 -30.05 68.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.236 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.418 ' N ' ' HG3' ' A' ' 111' ' ' ARG . 27.6 tp10 -66.86 -42.61 85.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.261 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.655 ' HA ' HD22 ' A' ' 116' ' ' LEU . 2.4 t80 -64.11 -41.89 97.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -57.31 -40.52 78.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.289 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -76.63 -59.52 2.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 110.313 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.873 ' HG ' HD23 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -47.34 -33.69 6.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.568 1.167 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.999 ' CG ' HD13 ' A' ' 55' ' ' LEU . 84.6 t90 -66.54 -52.62 43.73 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.161 . . . . 0.0 108.023 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.764 HD21 HG22 ' A' ' 41' ' ' ILE . 87.0 mt -57.64 -26.11 61.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.112 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' A' ' 116' ' ' LEU . . . -62.93 -62.1 1.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.413 1.071 . . . . 0.0 109.254 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.664 ' HB3' HD23 ' A' ' 75' ' ' LEU . . . -59.42 -25.23 64.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.363 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.419 ' CZ ' ' CH2' ' A' ' 117' ' ' TRP . 0.2 OUTLIER -70.79 -38.49 73.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 0.0 110.97 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -94.66 0.15 54.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.113 . . . . 0.0 109.34 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.421 ' HB1' ' OE1' ' A' ' 74' ' ' GLN . . . -87.49 2.16 51.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.432 1.083 . . . . 0.0 109.302 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.465 HD13 HG13 ' A' ' 67' ' ' VAL . 20.7 mt -81.02 157.45 71.28 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.164 0 O-C-N 124.515 1.797 . . . . 0.0 111.032 179.981 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 131' ' ' PRO . . . . . 0.697 ' HG2' ' HB2' ' A' ' 134' ' ' ALA . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.905 0 N-CA-C 110.977 -0.432 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.27 -29.39 57.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.978 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.808 ' HA ' HD12 ' A' ' 136' ' ' ILE . 15.7 p-90 -73.21 -11.61 60.58 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.697 ' HB2' ' HG2' ' A' ' 131' ' ' PRO . . . -66.7 -10.26 44.86 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.6 p -130.76 26.22 5.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.004 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.808 HD12 ' HA ' ' A' ' 133' ' ' TRP . 84.6 mt -114.52 116.19 51.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.217 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.405 ' HA ' ' CZ ' ' A' ' 147' ' ' PHE . 0.0 OUTLIER -143.1 160.86 39.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.275 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 138' ' ' GLN . . . . . 0.453 ' HB2' ' CD2' ' A' ' 147' ' ' PHE . 2.7 tt0 -90.65 114.08 26.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.581 1.176 . . . . 0.0 110.282 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -71.46 168.0 51.48 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.436 HD21 ' HB2' ' A' ' 180' ' ' GLU . 2.0 tm? -63.38 -35.69 81.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 0.795 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -112.21 40.52 2.18 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.565 1.166 . . . . 0.0 110.242 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.96 152.26 66.28 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.14 . . . . 0.0 110.277 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 143' ' ' PRO . . . . . 0.413 ' HB2' ' HB3' ' A' ' 146' ' ' ALA . 18.2 Cg_endo -74.95 119.92 5.87 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.504 1.792 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 144' ' ' TYR . . . . . 0.977 ' O ' HG23 ' A' ' 148' ' ' VAL . 63.8 t80 -74.72 -54.83 6.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.577 1.173 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -47.99 -49.31 31.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.592 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.413 ' HB3' ' HB2' ' A' ' 143' ' ' PRO . . . -66.5 -44.36 82.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 147' ' ' PHE . . . . . 0.511 ' CE1' HG22 ' A' ' 136' ' ' ILE . 36.5 t80 -57.21 -43.75 83.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.977 HG23 ' O ' ' A' ' 144' ' ' TYR . 14.8 t -60.49 -51.42 73.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 149' ' ' GLU . . . . . 0.454 ' O ' HD12 ' A' ' 153' ' ' ILE . 0.6 OUTLIER -54.52 -54.25 43.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 110.312 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 37.2 ttt85 -59.0 -33.89 71.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.12 . . . . 0.0 110.368 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.463 ' HB3' ' CD1' ' A' ' 169' ' ' LEU . 0.9 OUTLIER -57.29 -47.75 80.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.257 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -58.35 -46.95 85.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 153' ' ' ILE . . . . . 0.454 HD12 ' O ' ' A' ' 149' ' ' GLU . 1.2 mp -60.85 -68.41 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.359 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 154' ' ' ALA . . . . . 0.404 ' N ' HG22 ' A' ' 153' ' ' ILE . . . -45.5 -28.93 1.01 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 0.461 HD21 ' CD1' ' A' ' 172' ' ' LEU . 4.2 mt -69.31 -60.01 2.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -52.78 -21.27 3.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.594 1.183 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.2 -22.92 61.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.578 1.174 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 158' ' ' GLY . . . . . 0.425 ' O ' HD22 ' A' ' 159' ' ' LEU . . . -141.52 38.39 1.52 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.746 HD12 ' HB2' ' A' ' 165' ' ' LYS . 0.5 OUTLIER -126.1 114.97 23.96 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.553 0.796 . . . . 0.0 109.349 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 166.06 30.01 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.524 1.802 . . . . 0.0 111.032 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -77.85 -6.95 55.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.317 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -112.99 34.55 5.03 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.481 1.113 . . . . 0.0 110.961 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 163' ' ' THR . . . . . 0.551 HG23 ' HD2' ' A' ' 164' ' ' PRO . 1.3 m -145.92 141.59 16.85 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.47 0.747 . . . . 0.0 110.442 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 164' ' ' PRO . . . . . 0.551 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.4 Cg_endo -74.96 131.83 14.79 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.397 1.735 . . . . 0.0 111.041 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 165' ' ' LYS . . . . . 0.746 ' HB2' HD12 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -116.1 -37.54 3.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.337 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 166' ' ' ASP . . . . . 0.496 ' N ' ' CD ' ' A' ' 167' ' ' PRO . 0.4 OUTLIER -40.54 -52.26 6.24 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 167' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 166' ' ' ASP . 18.1 Cg_endo -75.07 -49.27 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.517 1.798 . . . . 0.0 111.018 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -45.96 -47.56 5.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 169' ' ' LEU . . . . . 0.463 ' CD1' ' HB3' ' A' ' 151' ' ' LEU . 34.6 tp -59.98 -53.27 59.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.41 1.069 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 170' ' ' ARG . . . . . 0.415 ' HD2' ' N ' ' A' ' 195' ' ' LEU . 1.1 tpp180 -54.45 -19.66 6.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.3 -56.5 3.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.135 . . . . 0.0 110.0 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.547 HD21 ' CE3' ' A' ' 133' ' ' TRP . 1.4 mt -64.13 -15.01 58.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.258 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -88.68 -30.6 19.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.223 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 174' ' ' TYR . . . . . 0.446 ' O ' ' N ' ' A' ' 176' ' ' ASN . 29.8 t80 -110.47 -78.39 0.59 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 110.984 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 175' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 174' ' ' TYR . 22.9 t -37.05 -32.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.03 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 176' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 174' ' ' TYR . 13.9 m-20 -110.74 57.74 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 177' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 174' ' ' TYR . . . -134.01 142.11 47.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 178' ' ' ASN . . . . . 0.619 ' ND2' ' H ' ' A' ' 181' ' ' CYS . 7.7 p-10 -52.28 -175.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.359 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 33.6 mtmt -78.44 -49.9 12.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.341 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 180' ' ' GLU . . . . . 0.436 ' HB2' HD21 ' A' ' 140' ' ' LEU . 25.2 tt0 -54.05 -36.34 62.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.31 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 181' ' ' CYS . . . . . 0.619 ' H ' ' ND2' ' A' ' 178' ' ' ASN . 19.1 t -69.94 -67.41 0.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 108.267 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -46.15 -43.35 14.98 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.553 1.158 . . . . 0.0 110.289 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 183' ' ' LYS . . . . . 0.561 ' O ' ' HB2' ' A' ' 187' ' ' ALA . 29.3 ttpt -62.44 -34.52 76.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.672 HD23 ' O ' ' A' ' 184' ' ' LEU . 3.1 tt -66.48 -46.83 74.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 185' ' ' LEU . . . . . 0.461 HD11 ' HE2' ' A' ' 198' ' ' MET . 9.8 mt -61.3 -65.6 0.67 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.487 1.117 . . . . 0.0 109.232 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 186' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.13 -40.48 32.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.4 1.063 . . . . 0.0 110.288 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 187' ' ' ALA . . . . . 0.561 ' HB2' ' O ' ' A' ' 183' ' ' LYS . . . -58.75 -37.43 76.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 188' ' ' ARG . . . . . 0.426 ' HD2' ' HB1' ' A' ' 201' ' ' ALA . 0.5 OUTLIER -75.31 -3.67 34.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.319 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 60.58 39.84 97.04 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.557 1.161 . . . . 0.0 111.034 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 190' ' ' HIS . . . . . 0.621 ' CG ' ' O ' ' A' ' 190' ' ' HIS . 0.1 OUTLIER -150.04 102.58 3.12 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.549 0.793 . . . . 0.0 109.591 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 1.8 p -121.09 -54.86 2.0 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 110.439 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 192' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 193' ' ' SER . 5.1 t-20 -61.37 -22.3 64.82 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.475 1.11 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 193' ' ' SER . . . . . 0.495 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER -49.27 178.21 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.972 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 194' ' ' PRO . . . . . 0.495 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.2 Cg_endo -75.0 -167.73 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.441 1.759 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 195' ' ' LEU . . . . . 0.51 HD21 ' CG1' ' A' ' 148' ' ' VAL . 9.9 tp -85.04 -50.59 7.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.428 1.08 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -44.83 -34.96 4.16 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.452 1.095 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 197' ' ' ASP . . . . . 0.503 ' HB3' ' CE1' ' A' ' 190' ' ' HIS . 0.2 OUTLIER -69.16 -39.74 78.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.746 . . . . 0.0 109.325 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 198' ' ' MET . . . . . 0.509 ' SD ' HD12 ' A' ' 195' ' ' LEU . 72.5 mtp -66.23 -35.22 79.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 199' ' ' LEU . . . . . 0.753 HD21 HG11 ' A' ' 148' ' ' VAL . 4.0 mm? -74.11 -20.49 60.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.0 -17.26 33.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 201' ' ' ALA . . . . . 0.426 ' HB1' ' HD2' ' A' ' 188' ' ' ARG . . . -90.85 -34.59 15.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.163 . . . . 0.0 109.209 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 202' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 203' ' ' GLN . 0.0 OUTLIER -87.81 -19.09 27.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 108.266 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 203' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 202' ' ' CYS . 9.9 pt20 -37.41 -39.47 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.277 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 5.9 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.405 -179.963 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.554 ' HE1' HD21 ' A' ' 20' ' ' LEU . 1.6 ttt . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.555 0.217 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.8 pm0 -80.08 154.97 27.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 110.32 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.5 tpt -45.41 -34.21 2.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.5 ttpt -59.3 -43.1 92.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -55.97 -56.57 19.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.554 HD21 ' HE1' ' A' ' 15' ' ' MET . 37.4 mt -55.09 -41.93 72.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.262 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -58.0 -57.06 14.47 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.507 1.13 . . . . 0.0 110.287 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.67 -47.88 76.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.579 ' O ' HG23 ' A' ' 27' ' ' VAL . 68.3 mt -52.14 -49.95 37.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.485 ' HG3' ' CE2' ' A' ' 61' ' ' TYR . 0.0 OUTLIER -50.21 -34.91 24.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -70.71 -72.12 0.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.162 . . . . 0.0 110.222 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.926 ' OE1' HG23 ' A' ' 40' ' ' THR . 8.4 pt-20 -44.23 -26.84 0.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 23' ' ' ILE . 34.9 t -75.55 -49.71 26.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.3 m -44.55 -41.86 6.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 110.017 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -60.04 -37.31 79.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 110.315 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' A' ' 27' ' ' VAL . . . -44.91 166.76 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.23 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.665 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -109.33 170.0 5.85 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.665 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.4 Cg_endo -74.97 115.79 4.39 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.505 1.792 . . . . 0.0 111.019 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.65 59.12 11.37 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.496 1.122 . . . . 0.0 110.979 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -139.56 158.95 67.34 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.497 0.763 . . . . 0.0 110.008 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 48.57 2.06 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.528 1.804 . . . . 0.0 110.94 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.7 tp60 -121.85 -52.49 2.0 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.451 ' CE1' HD11 ' A' ' 41' ' ' ILE . 1.7 t80 -60.62 -60.63 3.49 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.652 ' HE1' HD22 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -51.77 -49.1 63.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 110.974 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -49.4 -46.39 47.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.274 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.926 HG23 ' OE1' ' A' ' 26' ' ' GLU . 3.6 m -57.72 -31.19 66.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.422 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.835 HG22 HD21 ' A' ' 118' ' ' LEU . 15.5 mm -64.66 -53.06 46.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -29.68 69.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.595 1.184 . . . . 0.0 110.331 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.528 HD13 ' O ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -66.54 -43.24 85.68 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.09 -29.82 64.49 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.491 HG22 ' HD2' ' A' ' 50' ' ' PRO . 1.2 t -71.72 -42.54 70.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -78.33 -9.29 59.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 110.29 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.443 ' CA ' ' OE1' ' A' ' 47' ' ' GLN . 0.1 OUTLIER -80.64 -70.35 0.53 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 110.364 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.433 ' O ' ' CB ' ' A' ' 49' ' ' ASP . 14.2 p90 -114.18 -30.61 6.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 111.043 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.433 ' CB ' ' O ' ' A' ' 48' ' ' PHE . 2.4 m-20 77.56 94.54 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.491 ' HD2' HG22 ' A' ' 45' ' ' VAL . 18.4 Cg_endo -74.89 133.35 16.66 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.537 1.809 . . . . 0.0 111.064 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.1 p -66.47 -174.94 0.32 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.539 1.149 . . . . 0.0 110.483 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.33 -41.64 97.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.414 ' HD2' ' ND2' ' A' ' 102' ' ' ASN . 9.6 mttt -63.08 -62.64 1.57 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -46.85 -40.49 14.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.233 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 1.086 HD13 ' CG ' ' A' ' 117' ' ' TRP . 12.2 mt -61.43 -41.76 97.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.365 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.05 -54.57 33.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.264 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -64.73 -47.02 79.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.336 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.551 HD22 ' HE1' ' A' ' 15' ' ' MET . 17.8 tp -51.86 -31.68 28.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.679 HD12 ' CB ' ' A' ' 63' ' ' CYS . 33.4 tp -67.03 -58.12 5.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.65 -10.34 26.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.598 1.186 . . . . 0.0 110.372 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.485 ' CE2' ' HG3' ' A' ' 24' ' ' LYS . 1.4 t80 -78.13 -55.22 5.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.085 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 19.7 mt -106.36 -62.2 1.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.679 ' CB ' HD12 ' A' ' 59' ' ' LEU . 1.4 m -46.26 112.12 0.45 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.429 1.081 . . . . 0.0 108.295 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.52 -179.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.048 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.43 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 7.1 t -59.57 -63.62 1.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.029 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.415 ' HG ' HD12 ' A' ' 70' ' ' LEU . 24.0 tp -56.78 -55.19 37.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.3 t -46.4 -46.16 6.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 65' ' ' SER . . . -53.46 -46.7 70.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.4 t -60.23 -60.79 3.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 110.025 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.415 HD12 ' HG ' ' A' ' 66' ' ' LEU . 2.6 mt -46.82 -44.98 19.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.163 . . . . 0.0 109.343 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.463 ' CE1' ' HB3' ' A' ' 120' ' ' ALA . 5.8 t-80 -62.25 -48.53 79.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.577 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.87 -40.13 75.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.651 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.22 -62.11 2.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 110.34 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -55.25 -19.06 7.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.299 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.851 HD13 ' CD1' ' A' ' 79' ' ' ILE . 0.3 OUTLIER -77.09 -57.15 4.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -48.4 -45.9 36.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.7 t -67.13 -34.54 77.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.007 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.778 HD23 ' HG ' ' A' ' 116' ' ' LEU . 1.2 tp -58.09 -60.62 3.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.171 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.851 ' CD1' HD13 ' A' ' 75' ' ' LEU . 2.8 mp -48.05 -47.98 12.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.451 ' O ' ' CB ' ' A' ' 84' ' ' THR . 29.5 t -50.01 -30.54 10.84 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.549 1.156 . . . . 0.0 109.987 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -71.91 -48.71 43.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.53 ' HB1' ' CG1' ' A' ' 87' ' ' ILE . . . -57.78 -60.52 3.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.401 ' CG ' ' HA ' ' A' ' 80' ' ' SER . 0.0 OUTLIER -53.58 -43.0 68.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 110.301 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.451 ' CB ' ' O ' ' A' ' 80' ' ' SER . 2.1 m -57.76 -46.45 84.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.446 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.03 -0.97 20.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.36 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 62.38 75.58 0.31 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.426 1.078 . . . . 0.0 110.981 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.624 HD13 HD21 ' A' ' 109' ' ' LEU . 19.0 mt -40.95 155.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.531 0.783 . . . . 0.0 109.324 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.775 HG23 ' H ' ' A' ' 89' ' ' GLY . 0.0 OUTLIER -37.71 -70.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.4 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.775 ' H ' HG23 ' A' ' 88' ' ' THR . . . -140.52 60.97 0.56 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.467 1.104 . . . . 0.0 111.041 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.453 ' CB ' ' HB ' ' A' ' 87' ' ' ILE . 2.3 t80 -79.27 137.69 37.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 0.78 . . . . 0.0 111.01 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -86.47 125.1 68.58 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 0.0 109.24 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.447 1.762 . . . . 0.0 111.016 179.954 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.878 0 N-CA-C 110.984 -0.429 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.811 HD22 ' CG1' ' A' ' 79' ' ' ILE . 6.4 tp -50.89 -36.98 40.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.445 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 10.9 ptt85 -58.61 -33.72 70.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.6 t -79.61 -32.51 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.73 -54.78 9.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 110.287 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.647 ' HB2' ' CD2' ' A' ' 113' ' ' TYR . . . -49.17 -43.31 41.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 98' ' ' ARG . 90.5 m-20 -51.27 -25.57 5.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -79.68 131.7 63.57 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -23.74 13.48 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.461 1.769 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -59.61 -28.5 67.24 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.55 1.156 . . . . 0.0 110.339 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -96.29 50.99 1.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.71 -45.9 49.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.28 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -56.23 -55.74 27.85 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.624 HD21 HD13 ' A' ' 87' ' ' ILE . 0.6 OUTLIER -63.61 -41.95 98.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 0.788 . . . . 0.0 109.329 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 11.8 ttt-85 -50.1 -36.69 30.56 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.11 . . . . 0.0 110.299 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.44 -53.68 10.1 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.518 1.136 . . . . 0.0 110.311 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -53.07 -36.32 60.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.168 . . . . 0.0 110.271 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.647 ' CD2' ' HB2' ' A' ' 101' ' ' ALA . 4.5 t80 -65.8 -46.09 79.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.988 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -53.41 -49.47 67.21 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.46 1.1 . . . . 0.0 110.3 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.07 -30.95 67.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.34 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.778 ' HG ' HD23 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -65.2 -39.84 93.38 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.443 1.089 . . . . 0.0 109.307 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 1.086 ' CG ' HD13 ' A' ' 55' ' ' LEU . 47.7 t90 -63.5 -63.52 1.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 108.004 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.835 HD21 HG22 ' A' ' 41' ' ' ILE . 80.4 mt -50.93 -27.23 7.13 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.624 ' HB3' HD21 ' A' ' 78' ' ' LEU . . . -64.45 -62.63 1.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.41 1.068 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.463 ' HB3' ' CE1' ' A' ' 71' ' ' HIS . . . -57.74 -26.36 61.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.515 ' CZ ' ' SG ' ' A' ' 63' ' ' CYS . 0.8 OUTLIER -71.88 -51.02 24.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -74.89 -2.59 27.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.344 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -83.93 -3.0 57.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 64.1 mt -73.06 157.73 88.08 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.584 1.177 . . . . 0.0 109.328 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.197 0 O-C-N 124.508 1.794 . . . . 0.0 111.039 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 131' ' ' PRO . . . . . 0.606 ' HG2' ' HB2' ' A' ' 134' ' ' ALA . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.904 0 N-CA-C 110.997 -0.424 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.3 -34.2 65.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.983 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.769 ' HA ' HD12 ' A' ' 136' ' ' ILE . 21.9 p-90 -72.41 -13.66 61.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 108.062 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.606 ' HB2' ' HG2' ' A' ' 131' ' ' PRO . . . -63.17 -12.89 31.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.443 1.089 . . . . 0.0 109.279 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 29.2 t -134.82 36.87 3.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.98 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.769 HD12 ' HA ' ' A' ' 133' ' ' TRP . 54.5 mt -117.02 118.03 57.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.352 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.578 ' O ' ' CE1' ' A' ' 147' ' ' PHE . 0.2 OUTLIER -136.97 151.36 48.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.573 1.17 . . . . 0.0 109.277 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 138' ' ' GLN . . . . . 0.561 ' HG3' ' CD2' ' A' ' 144' ' ' TYR . 0.0 OUTLIER -65.76 117.45 8.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.174 . . . . 0.0 110.295 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 139' ' ' GLY . . . . . 0.428 ' O ' ' NE2' ' A' ' 138' ' ' GLN . . . -71.21 149.8 46.29 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.538 1.149 . . . . 0.0 111.042 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.49 ' N ' ' ND2' ' A' ' 178' ' ' ASN . 1.7 tm? -61.53 -40.6 95.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.551 0.794 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -111.2 39.78 2.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -125.5 159.52 60.05 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 110.268 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' PRO . . . . . 0.58 ' HB2' ' HB3' ' A' ' 146' ' ' ALA . 18.5 Cg_endo -74.96 105.12 2.02 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.483 1.781 . . . . 0.0 111.045 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 144' ' ' TYR . . . . . 0.576 ' O ' HG23 ' A' ' 148' ' ' VAL . 5.0 t80 -55.74 -58.67 6.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 145' ' ' HIS . . . . . 0.485 ' HA ' ' CD1' ' A' ' 199' ' ' LEU . 0.0 OUTLIER -49.05 -51.44 31.21 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.498 1.124 . . . . 0.0 109.681 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.58 ' HB3' ' HB2' ' A' ' 143' ' ' PRO . . . -58.09 -39.78 79.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 147' ' ' PHE . . . . . 0.578 ' CE1' ' O ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -62.75 -43.61 98.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.613 1.195 . . . . 0.0 110.947 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.706 HG11 HD21 ' A' ' 199' ' ' LEU . 46.3 t -60.29 -51.06 77.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 149' ' ' GLU . . . . . 0.584 ' O ' HD12 ' A' ' 153' ' ' ILE . 25.4 tt0 -53.2 -54.39 36.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 110.258 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 7.8 ttt-85 -59.34 -41.13 88.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 110.34 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.775 ' O ' HD12 ' A' ' 155' ' ' LEU . 1.0 OUTLIER -50.89 -38.23 48.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -67.69 -45.82 74.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 153' ' ' ILE . . . . . 0.584 HD12 ' O ' ' A' ' 149' ' ' GLU . 1.5 mp -62.83 -69.63 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.334 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -41.94 -28.97 0.19 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.52 1.138 . . . . 0.0 109.341 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 0.775 HD12 ' O ' ' A' ' 151' ' ' LEU . 6.9 mt -73.68 -59.23 2.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -46.11 -24.79 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 157' ' ' ASN . . . . . 0.417 ' N ' ' C ' ' A' ' 155' ' ' LEU . 3.1 m-80 -78.12 -42.77 30.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 158' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 155' ' ' LEU . . . -125.85 50.33 0.88 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.512 1.132 . . . . 0.0 111.013 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.738 HD21 HD13 ' A' ' 168' ' ' ILE . 0.2 OUTLIER -156.52 101.94 2.02 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.452 0.736 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 157.88 42.6 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.417 1.746 . . . . 0.0 110.956 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 163' ' ' THR . 0.0 OUTLIER -60.5 -53.94 51.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.34 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 162' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 161' ' ' GLU . . . -37.64 -30.41 0.06 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.433 1.083 . . . . 0.0 110.916 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 163' ' ' THR . . . . . 0.704 HG23 ' HD2' ' A' ' 164' ' ' PRO . 2.0 m -96.31 145.27 29.27 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.77 . . . . 0.0 110.41 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 164' ' ' PRO . . . . . 0.704 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.1 Cg_endo -75.03 130.95 13.71 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.522 1.801 . . . . 0.0 110.928 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 1.2 tmpt? -111.03 -29.91 7.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 166' ' ' ASP . . . . . 0.513 ' N ' ' CD ' ' A' ' 167' ' ' PRO . 0.3 OUTLIER -47.26 -52.09 37.76 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 167' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 166' ' ' ASP . 18.4 Cg_endo -74.99 -48.02 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.491 1.785 . . . . 0.0 110.987 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 168' ' ' ILE . . . . . 0.738 HD13 HD21 ' A' ' 159' ' ' LEU . 0.3 OUTLIER -51.12 -41.84 24.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 169' ' ' LEU . . . . . 0.484 ' CD1' ' HB3' ' A' ' 151' ' ' LEU . 13.6 tp -64.3 -55.3 22.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 109.348 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 77.6 mtm-85 -59.1 -15.35 13.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.591 1.182 . . . . 0.0 110.252 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.63 -48.66 8.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 110.01 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.606 HD12 HD11 ' A' ' 155' ' ' LEU . 5.0 mt -68.72 -16.51 63.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 173' ' ' ALA . . . . . 0.698 ' O ' ' HB2' ' A' ' 177' ' ' ALA . . . -86.08 -50.21 7.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 174' ' ' TYR . . . . . 0.531 ' CE1' ' HG2' ' A' ' 182' ' ' GLN . 6.1 t80 -96.02 -69.54 0.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 1.2 t -38.91 -38.04 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.421 1.076 . . . . 0.0 110.096 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 176' ' ' ASN . . . . . 0.524 ' CB ' HD23 ' A' ' 137' ' ' LEU . 2.3 m-80 -110.4 54.83 0.66 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.505 1.128 . . . . 0.0 109.25 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 177' ' ' ALA . . . . . 0.698 ' HB2' ' O ' ' A' ' 173' ' ' ALA . . . -120.3 148.32 43.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.218 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 178' ' ' ASN . . . . . 0.49 ' ND2' ' N ' ' A' ' 140' ' ' LEU . 0.9 OUTLIER -54.31 -171.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -75.62 -57.27 3.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -62.2 -14.98 43.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.269 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 181' ' ' CYS . . . . . 0.455 ' CB ' ' HB1' ' A' ' 177' ' ' ALA . 64.0 m -78.92 -61.1 2.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 108.342 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 182' ' ' GLN . . . . . 0.531 ' HG2' ' CE1' ' A' ' 174' ' ' TYR . 54.6 mt-30 -54.19 -37.21 64.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.295 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -31.16 70.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.644 HD23 ' O ' ' A' ' 184' ' ' LEU . 2.0 tt -67.41 -52.43 39.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 185' ' ' LEU . . . . . 0.639 HD11 ' CE ' ' A' ' 198' ' ' MET . 12.7 mt -59.43 -50.78 72.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 186' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.71 -53.07 61.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.319 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -51.88 -39.82 59.62 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.452 1.095 . . . . 0.0 109.225 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.55 -14.09 60.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 68.91 16.59 70.59 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.523 1.139 . . . . 0.0 111.032 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 190' ' ' HIS . . . . . 0.573 ' CG ' ' O ' ' A' ' 190' ' ' HIS . 0.1 OUTLIER -126.53 106.41 9.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 0.758 . . . . 0.0 109.564 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 1.4 p -121.35 -51.26 2.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.351 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -88.36 49.16 1.74 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.265 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 193' ' ' SER . . . . . 0.516 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER -117.78 179.02 0.89 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.581 1.175 . . . . 0.0 109.981 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 194' ' ' PRO . . . . . 0.516 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.3 Cg_endo -74.99 164.62 33.02 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.522 1.801 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 195' ' ' LEU . . . . . 0.474 ' HG ' ' CD2' ' A' ' 199' ' ' LEU . 7.3 tp -60.43 -42.69 96.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.226 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -45.03 -44.23 8.99 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.522 1.139 . . . . 0.0 111.063 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 197' ' ' ASP . . . . . 0.536 ' HB3' ' CE1' ' A' ' 190' ' ' HIS . 0.1 OUTLIER -71.8 -31.2 66.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 0.0 109.317 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 198' ' ' MET . . . . . 0.639 ' CE ' HD11 ' A' ' 185' ' ' LEU . 36.4 mmm -68.42 -35.9 78.31 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 110.972 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 199' ' ' LEU . . . . . 0.706 HD21 HG11 ' A' ' 148' ' ' VAL . 3.8 mm? -78.37 -19.11 54.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.32 -20.12 32.58 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.453 1.096 . . . . 0.0 110.257 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -85.63 -45.52 11.64 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.567 1.167 . . . . 0.0 109.282 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 202' ' ' CYS . . . . . . . . . . . . . 16.9 p -75.85 -18.98 59.24 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.524 1.14 . . . . 0.0 108.316 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 203' ' ' GLN . . . . . 0.433 ' CG ' ' N ' ' A' ' 204' ' ' THR . 14.4 pt20 -39.42 -42.79 1.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.31 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 204' ' ' THR . . . . . 0.433 ' N ' ' CG ' ' A' ' 203' ' ' GLN . 3.2 t . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.417 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.566 ' HG2' ' CZ ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.453 0.168 . . . . 0.0 111.034 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.6 pm0 -79.92 155.24 27.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.257 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.76 -27.38 1.98 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 111.004 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -40.28 94.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -56.26 -55.87 27.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.148 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.823 ' HA ' HD12 ' A' ' 23' ' ' ILE . 4.3 mt -57.37 -39.37 75.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.399 1.062 . . . . 0.0 109.288 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.62 -48.39 79.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.332 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.62 -43.0 99.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.566 1.166 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.823 HD12 ' HA ' ' A' ' 20' ' ' LEU . 18.3 mt -57.41 -40.62 75.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.267 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -32.22 71.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.571 1.17 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.7 tm0? -71.22 -59.46 2.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 110.31 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.628 ' CD ' HG23 ' A' ' 40' ' ' THR . 4.1 pt-20 -60.6 -14.6 21.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 110.255 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.61 HG13 ' HD2' ' A' ' 37' ' ' PHE . 20.0 t -91.4 -26.99 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.247 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.5 t -70.8 -29.32 65.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.09 . . . . 0.0 109.969 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.33 -22.76 51.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 110.333 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.472 ' CB ' ' HB3' ' A' ' 36' ' ' GLN . . . -61.73 167.48 3.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.414 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -113.13 161.89 24.66 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.259 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.414 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.5 Cg_endo -74.93 112.07 3.47 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.467 1.772 . . . . 0.0 111.045 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.7 40.31 15.33 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.8 p -129.53 152.52 79.8 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.771 . . . . 0.0 109.982 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 51.31 2.72 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.49 1.784 . . . . 0.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.472 ' HB3' ' CB ' ' A' ' 30' ' ' ALA . 3.6 tp60 -121.16 -58.06 1.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 110.286 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.61 ' HD2' HG13 ' A' ' 27' ' ' VAL . 1.4 t80 -57.0 -54.34 47.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.414 1.071 . . . . 0.0 110.953 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.464 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 10.4 tpt -57.72 -54.15 50.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -46.86 -41.07 15.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.289 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.628 HG23 ' CD ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -60.64 -37.21 80.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 110.395 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.795 HG22 HD21 ' A' ' 118' ' ' LEU . 7.2 mm -60.83 -44.17 97.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -64.75 -31.78 73.16 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.46 1.1 . . . . 0.0 110.285 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.402 ' O ' HD13 ' A' ' 43' ' ' LEU . 0.4 OUTLIER -63.85 -41.11 97.88 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.486 1.116 . . . . 0.0 109.248 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.1 -42.83 65.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.342 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.506 HG11 HD11 ' A' ' 118' ' ' LEU . 0.9 OUTLIER -67.23 -18.35 23.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -102.61 -5.61 23.68 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 0.0 110.34 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -86.24 -70.43 0.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.566 ' CZ ' ' HG2' ' A' ' 15' ' ' MET . 0.3 OUTLIER -121.95 -4.78 9.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.998 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.7 t0 56.68 96.49 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.117 . . . . 0.0 109.24 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 128.78 11.77 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.459 1.768 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.9 p -56.96 -171.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.457 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.37 -51.97 25.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.585 1.178 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.454 ' CD ' ' OD1' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -50.48 -45.88 56.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.454 ' OD1' ' CD ' ' A' ' 53' ' ' LYS . 2.1 m-20 -58.21 -51.04 71.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.965 HD13 ' CG ' ' A' ' 117' ' ' TRP . 22.1 mt -53.14 -45.96 68.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -48.82 -48.19 41.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.238 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.4 ' C ' ' N ' ' A' ' 59' ' ' LEU . 5.1 t70 -70.62 -51.29 29.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.513 HD11 HD12 ' A' ' 62' ' ' LEU . 22.1 tp -50.19 -23.0 1.93 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.437 1.086 . . . . 0.0 109.275 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.4 ' N ' ' C ' ' A' ' 57' ' ' ASP . 53.9 tp -78.1 -51.71 9.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.613 1.195 . . . . 0.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -89.77 23.47 2.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.366 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.575 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 48.3 t80 -120.68 -41.53 2.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 110.969 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.515 ' HA ' HD23 ' A' ' 62' ' ' LEU . 3.5 mt -91.75 -51.78 5.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 95.8 m -93.01 -173.37 3.26 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.422 1.076 . . . . 0.0 108.334 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.85 179.27 4.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.973 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.512 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 31.3 t -60.37 -52.4 65.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 110.048 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 17.8 tp -44.55 -64.8 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.6 t -50.5 -45.07 25.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.239 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.512 ' HB3' ' O ' ' A' ' 65' ' ' SER . . . -52.43 -38.77 59.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.369 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.2 m -75.7 -45.26 37.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 110.05 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.413 ' O ' ' CB ' ' A' ' 73' ' ' GLN . 14.5 mt -53.67 -57.61 10.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.416 1.073 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.663 ' CE1' ' HB3' ' A' ' 120' ' ' ALA . 0.4 OUTLIER -52.15 -45.92 65.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.591 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -58.38 -17.17 18.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.577 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.413 ' CB ' ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -77.3 -67.22 0.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.467 ' OE1' ' CB ' ' A' ' 123' ' ' ALA . 0.3 OUTLIER -61.89 -27.86 69.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.423 1.077 . . . . 0.0 110.304 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.6 HD21 ' CD2' ' A' ' 116' ' ' LEU . 1.7 tm? -73.92 -53.14 10.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.387 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -45.32 -46.96 13.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.354 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.7 t -60.64 -43.0 98.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.989 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.905 HD23 ' HG ' ' A' ' 116' ' ' LEU . 13.3 tp -58.55 -39.71 81.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.915 HD12 ' CD2' ' A' ' 97' ' ' LEU . 50.6 mm -55.16 -55.26 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.75 -27.45 12.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.585 1.178 . . . . 0.0 109.995 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -66.79 -42.03 86.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.3 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.521 ' HB1' ' CG1' ' A' ' 87' ' ' ILE . . . -63.73 -55.73 21.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.546 ' HG2' ' CE2' ' A' ' 90' ' ' TYR . 6.3 mt-10 -58.8 -41.63 87.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.344 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.8 m -62.19 -45.63 92.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 110.391 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.5 -1.84 23.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.1 . . . . 0.0 110.316 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 64.6 84.37 0.08 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.483 1.114 . . . . 0.0 110.978 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.521 ' CG1' ' HB1' ' A' ' 82' ' ' ALA . 12.5 mt -51.28 166.34 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.533 0.784 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.504 ' N ' HG22 ' A' ' 87' ' ' ILE . 10.2 t -86.08 -49.46 7.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 0.0 110.388 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.44 ' N ' HG23 ' A' ' 88' ' ' THR . . . -119.82 66.48 0.41 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.564 1.165 . . . . 0.0 110.964 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.552 ' CD1' ' OE1' ' A' ' 100' ' ' GLN . 83.6 t80 -128.8 141.2 51.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.423 0.719 . . . . 0.0 110.951 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.414 ' O ' ' NE2' ' A' ' 100' ' ' GLN . 0.5 OUTLIER -112.95 99.3 48.14 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.208 0 O-C-N 124.517 1.798 . . . . 0.0 111.002 -179.999 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.833 0 N-CA-C 111.034 -0.41 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.915 ' CD2' HD12 ' A' ' 79' ' ' ILE . 18.4 tp -120.01 -47.09 2.4 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.41 -32.78 68.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.328 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 82.1 t -60.36 -39.78 81.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.441 1.088 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.552 ' OE1' ' CD1' ' A' ' 90' ' ' TYR . 41.6 mt-30 -72.59 -36.41 68.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.52 -16.91 58.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -71.1 -25.64 62.69 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.411 ' ND2' ' HA ' ' A' ' 100' ' ' GLN . 11.7 p30 -103.61 134.42 19.75 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.4 ' C ' ' N ' ' A' ' 106' ' ' GLN . 18.2 Cg_endo -75.1 -14.94 20.78 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.579 1.831 . . . . 0.0 110.968 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -41.66 -30.08 0.21 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.464 1.103 . . . . 0.0 110.234 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.518 ' NE2' ' HB3' ' A' ' 100' ' ' GLN . 1.0 OUTLIER -123.25 66.33 0.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.334 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.43 -20.55 2.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.249 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -58.52 -50.05 70.8 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.522 1.139 . . . . 0.0 111.022 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.789 HD23 ' CG ' ' A' ' 112' ' ' GLU . 1.3 mt -77.16 -41.4 41.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 0.739 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.7 ttm-85 -46.33 -43.24 15.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.584 1.178 . . . . 0.0 110.368 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 114' ' ' GLN . 0.0 OUTLIER -76.14 -63.08 1.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.357 179.899 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.789 ' CG ' HD23 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -42.5 -26.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.084 . . . . 0.0 110.296 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.415 ' N ' ' C ' ' A' ' 111' ' ' ARG . 22.5 t80 -79.2 -43.27 24.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.505 ' HG3' ' N ' ' A' ' 115' ' ' GLN . 0.0 OUTLIER -56.29 -26.93 53.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.244 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.505 ' N ' ' HG3' ' A' ' 114' ' ' GLN . 0.4 OUTLIER -88.11 -43.75 11.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.41 1.069 . . . . 0.0 110.267 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.905 ' HG ' HD23 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -60.43 -35.05 74.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.965 ' CG ' HD13 ' A' ' 55' ' ' LEU . 81.1 t90 -71.67 -55.78 7.06 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.795 HD21 HG22 ' A' ' 41' ' ' ILE . 85.0 mt -54.31 -22.19 11.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 116' ' ' LEU . . . -70.31 -52.0 26.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.663 ' HB3' ' CE1' ' A' ' 71' ' ' HIS . . . -63.9 -33.96 76.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.251 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.612 ' CE1' ' CH2' ' A' ' 117' ' ' TRP . 0.8 OUTLIER -65.97 -31.84 72.98 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.534 1.146 . . . . 0.0 110.954 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -96.53 0.26 49.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.467 ' CB ' ' OE1' ' A' ' 74' ' ' GLN . . . -91.01 0.61 57.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 109.353 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 56.5 mt -75.06 155.39 86.44 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.236 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.174 0 O-C-N 124.43 1.752 . . . . 0.0 111.061 179.969 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 131' ' ' PRO . . . . . 0.813 ' HG2' ' HB2' ' A' ' 134' ' ' ALA . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.845 0 N-CA-C 110.922 -0.453 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 20.0 m -73.1 -36.8 66.84 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.452 1.095 . . . . 0.0 110.011 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.82 ' HA ' HD12 ' A' ' 136' ' ' ILE . 15.8 p-90 -70.32 -17.42 63.07 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.813 ' HB2' ' HG2' ' A' ' 131' ' ' PRO . . . -65.09 -11.0 34.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 97.2 p -123.06 21.4 9.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.055 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.82 HD12 ' HA ' ' A' ' 133' ' ' TRP . 28.0 mt -115.0 117.87 57.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.472 ' CB ' ' HB3' ' A' ' 176' ' ' ASN . 0.2 OUTLIER -137.59 162.08 34.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 138' ' ' GLN . . . . . 0.465 ' NE2' ' O ' ' A' ' 139' ' ' GLY . 0.2 OUTLIER -85.46 119.21 25.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.375 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 139' ' ' GLY . . . . . 0.465 ' O ' ' NE2' ' A' ' 138' ' ' GLN . . . -76.02 143.16 29.49 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.48 HD22 ' HA ' ' A' ' 140' ' ' LEU . 1.4 tm? -50.42 -39.67 48.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 0.761 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -111.7 40.41 2.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.427 1.08 . . . . 0.0 110.31 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.407 ' HB2' ' CA ' ' A' ' 139' ' ' GLY . 0.4 OUTLIER -120.89 170.46 7.24 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.288 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 143' ' ' PRO . . . . . 0.828 ' HB2' ' HB3' ' A' ' 146' ' ' ALA . 18.3 Cg_endo -74.95 127.74 10.96 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.476 1.777 . . . . 0.0 110.991 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 144' ' ' TYR . . . . . 0.81 ' O ' HG23 ' A' ' 148' ' ' VAL . 2.4 t80 -76.48 -57.47 3.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 111.026 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -57.85 11.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.632 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.828 ' HB3' ' HB2' ' A' ' 143' ' ' PRO . . . -47.86 -46.64 31.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 147' ' ' PHE . . . . . 0.743 ' CZ ' HD12 ' A' ' 151' ' ' LEU . 3.2 t80 -56.48 -43.14 79.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 111.079 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 144' ' ' TYR . 48.7 t -63.34 -58.17 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -46.79 -43.95 18.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 150' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 153' ' ' ILE . 95.5 mtt180 -67.64 -58.59 4.4 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.537 1.148 . . . . 0.0 110.326 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.804 ' O ' HD12 ' A' ' 155' ' ' LEU . 0.4 OUTLIER -40.65 -34.68 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 152' ' ' ASN . . . . . 0.464 ' C ' HD21 ' A' ' 152' ' ' ASN . 0.4 OUTLIER -71.29 -51.71 22.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.301 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 153' ' ' ILE . . . . . 0.427 ' N ' ' O ' ' A' ' 150' ' ' ARG . 11.5 mt -59.2 -64.49 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.499 1.125 . . . . 0.0 109.327 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -45.69 -29.18 1.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 0.804 HD12 ' O ' ' A' ' 151' ' ' LEU . 3.5 mt -72.53 -59.7 2.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -51.39 -21.43 2.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -74.05 -28.33 61.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.103 . . . . 0.0 109.34 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 158' ' ' GLY . . . . . 0.541 ' O ' HD22 ' A' ' 159' ' ' LEU . . . -132.06 39.98 1.68 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.571 1.169 . . . . 0.0 110.991 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.541 HD22 ' O ' ' A' ' 158' ' ' GLY . 0.7 OUTLIER -131.76 119.26 17.01 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.467 0.745 . . . . 0.0 109.272 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -168.86 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.526 1.803 . . . . 0.0 111.046 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -102.0 -7.98 21.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.296 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -109.15 32.42 6.88 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.408 1.068 . . . . 0.0 111.004 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 163' ' ' THR . . . . . 0.645 HG23 ' HD2' ' A' ' 164' ' ' PRO . 1.7 m -146.08 143.53 19.58 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.51 0.771 . . . . 0.0 110.445 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 164' ' ' PRO . . . . . 0.645 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.2 Cg_endo -75.0 135.28 18.87 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.465 1.771 . . . . 0.0 111.006 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 165' ' ' LYS . . . . . 0.591 ' NZ ' HD22 ' A' ' 169' ' ' LEU . 0.0 OUTLIER -119.78 -40.2 2.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.348 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 166' ' ' ASP . . . . . 0.528 ' CB ' ' HD3' ' A' ' 167' ' ' PRO . 0.2 OUTLIER -39.5 -53.92 4.03 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 167' ' ' PRO . . . . . 0.528 ' HD3' ' CB ' ' A' ' 166' ' ' ASP . 18.4 Cg_endo -75.02 -49.55 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.43 1.753 . . . . 0.0 111.036 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -46.05 -38.36 3.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.267 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 169' ' ' LEU . . . . . 0.591 HD22 ' NZ ' ' A' ' 165' ' ' LYS . 14.0 tp -64.65 -63.84 1.02 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 170' ' ' ARG . . . . . 0.449 ' NH2' ' O ' ' A' ' 192' ' ' ASN . 27.2 mtp180 -49.42 -34.08 15.62 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.69 -28.47 64.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.024 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.731 ' CD1' HD11 ' A' ' 155' ' ' LEU . 18.2 mt -81.64 -50.62 9.11 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.476 1.11 . . . . 0.0 109.351 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 173' ' ' ALA . . . . . 0.628 ' O ' ' HB2' ' A' ' 177' ' ' ALA . . . -63.41 -14.93 55.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 174' ' ' TYR . . . . . 0.422 ' CB ' ' O ' ' A' ' 170' ' ' ARG . 71.6 t80 -100.4 -69.36 0.77 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 65.7 m -51.05 -40.82 59.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.044 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 176' ' ' ASN . . . . . 0.472 ' HB3' ' CB ' ' A' ' 137' ' ' LEU . 0.6 OUTLIER -99.3 55.72 1.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.082 . . . . 0.0 109.306 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 177' ' ' ALA . . . . . 0.7 ' HB1' ' HB3' ' A' ' 181' ' ' CYS . . . -129.43 122.81 30.14 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 178' ' ' ASN . . . . . 0.431 ' OD1' ' N ' ' A' ' 180' ' ' GLU . 4.2 p30 -46.58 171.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 181' ' ' CYS . 0.0 OUTLIER -51.62 -77.33 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.48 1.112 . . . . 0.0 109.243 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 180' ' ' GLU . . . . . 0.431 ' N ' ' OD1' ' A' ' 178' ' ' ASN . 0.1 OUTLIER -36.96 -32.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.078 . . . . 0.0 110.264 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 181' ' ' CYS . . . . . 0.7 ' HB3' ' HB1' ' A' ' 177' ' ' ALA . 0.5 OUTLIER -64.03 -68.03 0.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 108.333 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -53.72 -33.23 54.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.452 1.095 . . . . 0.0 110.303 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 183' ' ' LYS . . . . . 0.532 ' O ' ' HB2' ' A' ' 187' ' ' ALA . 4.1 ttpp -71.68 -19.9 62.01 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.445 1.091 . . . . 0.0 109.326 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.486 HD23 ' HG3' ' A' ' 188' ' ' ARG . 5.2 tt -80.46 -60.29 2.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 185' ' ' LEU . . . . . 0.827 HD21 ' HG3' ' A' ' 198' ' ' MET . 9.1 mt -52.17 -55.41 21.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.16 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 186' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -54.74 -55.04 34.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 187' ' ' ALA . . . . . 0.532 ' HB2' ' O ' ' A' ' 183' ' ' LYS . . . -49.28 -36.62 21.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.426 1.079 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 188' ' ' ARG . . . . . 0.486 ' HG3' HD23 ' A' ' 184' ' ' LEU . 0.2 OUTLIER -73.24 -39.03 65.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.596 1.185 . . . . 0.0 110.33 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 77.72 63.21 2.24 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.485 1.115 . . . . 0.0 111.031 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 190' ' ' HIS . . . . . 0.82 ' NE2' HD23 ' A' ' 185' ' ' LEU . 7.5 p80 -155.46 32.85 0.37 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.754 . . . . 0.0 109.533 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 2.0 p -58.6 -51.52 69.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.35 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 192' ' ' ASN . . . . . 0.449 ' O ' ' NH2' ' A' ' 170' ' ' ARG . 7.7 t-20 -62.36 -34.23 76.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 193' ' ' SER . . . . . 0.449 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.3 OUTLIER -48.51 175.08 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.039 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 194' ' ' PRO . . . . . 0.449 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.2 Cg_endo -74.99 -168.71 0.54 Allowed 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.534 1.808 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 195' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 198' ' ' MET . 4.2 tp -83.83 -36.11 23.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -47.87 -43.87 23.91 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.489 1.118 . . . . 0.0 110.926 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 197' ' ' ASP . . . . . 0.421 ' HB3' ' ND1' ' A' ' 190' ' ' HIS . 0.5 OUTLIER -63.31 -28.04 69.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 0.769 . . . . 0.0 109.301 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 198' ' ' MET . . . . . 0.827 ' HG3' HD21 ' A' ' 185' ' ' LEU . 41.8 ttm -64.39 -49.57 71.07 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.461 1.101 . . . . 0.0 111.056 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 199' ' ' LEU . . . . . 0.489 HD21 HG11 ' A' ' 148' ' ' VAL . 3.2 mm? -63.39 -23.55 67.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.169 . . . . 0.0 109.332 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.16 -14.46 46.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 201' ' ' ALA . . . . . 0.46 ' CB ' ' HD2' ' A' ' 188' ' ' ARG . . . -94.78 -34.76 12.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 202' ' ' CYS . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 144' ' ' TYR . 12.5 p -83.73 -25.37 30.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 108.313 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 203' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 202' ' ' CYS . 8.4 pt20 -35.02 -35.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 204' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 202' ' ' CYS . 6.2 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.351 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.576 ' HE3' ' CZ ' ' A' ' 48' ' ' PHE . 1.7 ttt . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.536 0.208 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 34.9 tp60 -84.87 131.21 34.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 110.271 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.79 -41.38 15.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.85 -31.87 29.57 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -61.73 -51.65 67.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.314 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.449 HD21 ' HE1' ' A' ' 15' ' ' MET . 11.9 mt -59.21 -33.36 70.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.69 -52.02 54.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.31 -44.86 95.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.892 HG22 HD11 ' A' ' 62' ' ' LEU . 56.1 mt -52.41 -54.85 13.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.877 ' HA ' HD21 ' A' ' 62' ' ' LEU . 6.8 tttm -49.44 -32.98 12.93 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.539 1.149 . . . . 0.0 109.209 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.87 -71.32 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.842 ' OE1' HG23 ' A' ' 40' ' ' THR . 9.2 pt-20 -46.67 -26.12 0.86 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 110.326 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.534 HG13 ' CD1' ' A' ' 37' ' ' PHE . 18.6 t -81.59 -43.14 19.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.9 t -48.42 -32.64 7.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.008 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.21 -35.58 66.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.585 1.178 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 27' ' ' VAL . . . -44.77 166.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.499 ' HB3' ' HB2' ' A' ' 34' ' ' SER . . . -105.13 162.62 19.19 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.203 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.435 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.4 Cg_endo -75.06 108.09 2.64 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.422 1.748 . . . . 0.0 110.96 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 71.07 53.9 10.01 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.443 1.089 . . . . 0.0 110.976 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.499 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 6.3 m -137.97 158.8 70.63 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 0.0 109.973 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 49.14 2.17 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.453 1.765 . . . . 0.0 111.05 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.0 tp60 -121.48 -55.25 1.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.256 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.541 ' CE1' HD11 ' A' ' 41' ' ' ILE . 8.9 t80 -59.46 -50.47 73.8 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.587 1.18 . . . . 0.0 110.893 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.811 ' HE1' HD22 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -52.4 -51.62 58.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 111.017 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -50.18 -48.38 54.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 110.271 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.842 HG23 ' OE1' ' A' ' 26' ' ' GLU . 86.5 m -52.0 -34.01 40.88 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.159 . . . . 0.0 110.363 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.786 HG22 HD21 ' A' ' 118' ' ' LEU . 2.8 mm -67.39 -47.71 80.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.58 1.175 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.75 ' HD2' HD13 ' A' ' 118' ' ' LEU . 40.0 mmm-85 -56.91 -32.79 66.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.17 -58.48 5.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.592 1.183 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.7 -37.14 67.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.648 HG22 ' HD2' ' A' ' 50' ' ' PRO . 1.4 t -71.12 -21.82 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.366 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -97.81 -0.58 44.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.269 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -94.34 -66.42 0.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.355 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.576 ' CZ ' ' HE3' ' A' ' 15' ' ' MET . 7.8 p90 -116.19 -31.64 5.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.976 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.532 ' OD1' ' NE2' ' A' ' 114' ' ' GLN . 2.6 t70 80.45 95.48 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.25 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.648 ' HD2' HG22 ' A' ' 45' ' ' VAL . 18.2 Cg_endo -74.95 144.15 30.07 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.456 1.766 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.866 HG21 ' HA ' ' A' ' 102' ' ' ASN . 1.4 m -93.22 -177.09 4.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.347 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.471 ' H ' HG22 ' A' ' 51' ' ' THR . . . -49.86 -37.37 30.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.405 ' HD3' ' ND2' ' A' ' 102' ' ' ASN . 0.4 OUTLIER -68.4 -71.0 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.279 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.446 ' HB2' ' CB ' ' A' ' 50' ' ' PRO . 0.1 OUTLIER -44.88 -37.33 3.83 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.449 1.093 . . . . 0.0 109.34 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 1.053 HD13 ' CG ' ' A' ' 117' ' ' TRP . 28.0 mt -68.37 -45.33 73.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.248 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 53' ' ' LYS . 1.5 tp-100 -52.11 -51.24 59.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.424 1.078 . . . . 0.0 110.254 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.456 ' O ' ' CB ' ' A' ' 61' ' ' TYR . 32.9 t70 -68.34 -45.73 72.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.621 HD11 HD12 ' A' ' 62' ' ' LEU . 16.8 tp -56.76 -19.36 16.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 33.4 tp -82.04 -50.33 9.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.585 1.178 . . . . 0.0 109.252 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.15 20.12 3.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.331 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.456 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 26.3 t80 -120.19 -43.2 2.54 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.432 1.082 . . . . 0.0 110.944 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.892 HD11 HG22 ' A' ' 23' ' ' ILE . 3.3 mt -98.14 -65.45 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.208 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.481 ' HB3' ' CG1' ' A' ' 67' ' ' VAL . 10.3 m -61.59 -175.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 108.258 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.66 -179.12 3.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.099 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.14 -54.81 12.97 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.529 1.143 . . . . 0.0 110.058 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.6 tp -52.36 -52.74 51.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.416 1.073 . . . . 0.0 109.28 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.481 ' CG1' ' HB3' ' A' ' 63' ' ' CYS . 1.4 t -54.63 -52.51 40.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -44.77 -41.73 7.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.296 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.2 t -68.74 -46.64 68.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.579 1.174 . . . . 0.0 109.995 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 31.2 mt -54.49 -53.89 48.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.488 ' CD2' ' HB3' ' A' ' 120' ' ' ALA . 0.6 OUTLIER -59.79 -45.71 91.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 109.607 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -49.04 -44.53 41.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.094 . . . . 0.0 109.608 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -64.41 -37.4 87.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.277 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.715 ' O ' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -71.62 -21.26 61.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.238 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.715 HD13 HD21 ' A' ' 116' ' ' LEU . 0.3 OUTLIER -83.68 -39.27 20.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.123 . . . . 0.0 109.26 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -60.2 -42.24 94.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.168 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.4 t -73.28 -45.79 53.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.573 1.17 . . . . 0.0 109.956 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.715 HD13 ' O ' ' A' ' 74' ' ' GLN . 5.4 mp -55.28 -56.47 19.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.59 HD12 HD11 ' A' ' 116' ' ' LEU . 1.1 mp -50.14 -46.54 24.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.429 1.08 . . . . 0.0 109.276 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.0 t -50.98 -30.73 15.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.591 1.182 . . . . 0.0 110.007 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -71.34 -38.38 71.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 110.314 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.586 ' HB1' ' CG1' ' A' ' 87' ' ' ILE . . . -66.59 -60.48 2.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.453 ' CD ' ' CE2' ' A' ' 90' ' ' TYR . 0.3 OUTLIER -50.68 -32.96 20.8 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.102 . . . . 0.0 110.318 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.1 m -63.39 -43.94 96.15 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.44 1.087 . . . . 0.0 110.407 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.01 -6.17 51.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.193 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 83.51 -11.69 54.8 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.457 1.098 . . . . 0.0 111.044 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.586 ' CG1' ' HB1' ' A' ' 82' ' ' ALA . 44.1 mt 57.12 163.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.589 0.817 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.609 HG23 ' H ' ' A' ' 89' ' ' GLY . 1.2 t -51.54 -59.87 3.78 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.442 1.089 . . . . 0.0 110.372 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.609 ' H ' HG23 ' A' ' 88' ' ' THR . . . -148.77 56.7 0.48 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.552 1.157 . . . . 0.0 110.989 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.471 ' CD1' ' C ' ' A' ' 90' ' ' TYR . 1.9 t80 -79.84 148.13 31.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 0.757 . . . . 0.0 111.009 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -118.79 129.47 25.38 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.193 0 O-C-N 124.477 1.778 . . . . 0.0 110.949 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.576 ' HB2' HG23 ' A' ' 99' ' ' VAL . 18.5 Cg_endo . . . . . 0 N--CA 1.454 -0.852 0 N-CA-C 111.015 -0.417 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.466 ' CD2' HG12 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -50.82 -28.99 10.56 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -64.83 -15.0 61.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.248 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.576 HG23 ' HB2' ' A' ' 96' ' ' PRO . 54.7 t -91.88 -43.14 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.437 ' HA ' ' ND2' ' A' ' 103' ' ' ASN . 3.6 pt20 -75.23 -13.36 60.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.49 ' O ' ' CG2' ' A' ' 51' ' ' THR . . . -79.72 -18.09 52.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.866 ' HA ' HG21 ' A' ' 51' ' ' THR . 14.3 m-80 -91.2 -4.85 55.69 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.443 1.089 . . . . 0.0 109.255 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.437 ' ND2' ' HA ' ' A' ' 100' ' ' GLN . 3.6 m-20 -80.4 128.71 71.83 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -24.83 12.39 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.429 1.752 . . . . 0.0 110.942 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -55.78 -35.78 66.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -115.01 73.12 0.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.346 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.485 ' HA ' ' CD ' ' A' ' 110' ' ' ARG . 3.2 pt20 -73.39 -5.28 38.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.343 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -75.18 -38.56 39.39 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.506 1.129 . . . . 0.0 110.977 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.549 HD23 ' CG ' ' A' ' 112' ' ' GLU . 1.2 mt -84.8 -41.61 15.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 0.771 . . . . 0.0 109.354 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.485 ' CD ' ' HA ' ' A' ' 107' ' ' GLN . 1.6 ptm180 -53.77 -37.0 62.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.421 ' N ' ' CG ' ' A' ' 110' ' ' ARG . 0.0 OUTLIER -78.04 -53.87 6.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.549 ' CG ' HD23 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -53.65 -25.48 18.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 110.335 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.443 ' HE2' HD23 ' A' ' 97' ' ' LEU . 2.5 t80 -80.97 -36.36 30.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 0.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.532 ' NE2' ' OD1' ' A' ' 49' ' ' ASP . 0.3 OUTLIER -61.51 -45.68 93.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.267 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.02 -38.1 75.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.717 ' C ' HD23 ' A' ' 116' ' ' LEU . 0.1 OUTLIER -67.68 -29.14 68.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 1.053 ' CG ' HD13 ' A' ' 55' ' ' LEU . 79.7 t90 -65.82 -49.55 67.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 108.029 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.811 HD22 ' HE1' ' A' ' 38' ' ' MET . 83.4 mt -60.66 -28.47 68.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 116' ' ' LEU . . . -59.99 -54.84 41.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.105 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.619 ' CB ' HD23 ' A' ' 75' ' ' LEU . . . -66.48 -34.47 78.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -66.26 -26.64 67.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 110.974 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -103.7 0.58 30.78 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -92.54 0.29 57.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.255 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 90.9 mt -65.07 150.0 96.02 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 109.347 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.131 0 O-C-N 124.53 1.805 . . . . 0.0 110.99 179.965 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.894 0 N-CA-C 110.956 -0.44 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.08 -22.65 60.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.007 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.84 ' HA ' HD12 ' A' ' 136' ' ' ILE . 38.6 p-90 -74.88 -20.01 59.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 108.035 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.32 -12.96 33.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.392 1.058 . . . . 0.0 109.309 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 5.3 t -126.14 31.0 5.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.01 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.84 HD12 ' HA ' ' A' ' 133' ' ' TRP . 23.3 mt -118.49 119.06 60.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.254 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.48 HD23 ' CB ' ' A' ' 176' ' ' ASN . 0.2 OUTLIER -136.73 137.7 40.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 138' ' ' GLN . . . . . 0.573 ' HG3' ' CD2' ' A' ' 144' ' ' TYR . 2.4 tm0? -55.95 141.51 39.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 110.336 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -102.83 123.75 7.94 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.427 1.079 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.515 ' H ' HD23 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -48.81 -44.45 39.2 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 0.74 . . . . 0.0 109.377 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -98.13 38.43 1.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 110.361 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -140.74 171.45 7.64 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 110.329 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' PRO . . . . . 0.661 ' HB2' ' HB3' ' A' ' 146' ' ' ALA . 18.6 Cg_endo -75.0 108.51 2.74 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.477 1.778 . . . . 0.0 110.97 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 144' ' ' TYR . . . . . 0.818 ' O ' HG23 ' A' ' 148' ' ' VAL . 7.8 t80 -69.77 -43.72 71.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.58 -58.68 6.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.58 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.661 ' HB3' ' HB2' ' A' ' 143' ' ' PRO . . . -54.56 -32.24 58.05 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.47 1.106 . . . . 0.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 147' ' ' PHE . . . . . 0.709 ' CE1' HD12 ' A' ' 151' ' ' LEU . 7.4 t80 -70.91 -32.9 69.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.971 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.818 HG23 ' O ' ' A' ' 144' ' ' TYR . 75.4 t -68.0 -47.55 78.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -56.16 -44.74 79.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 110.264 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 150' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 153' ' ' ILE . 5.9 ttt180 -65.55 -55.33 18.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 110.299 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.762 ' O ' HD12 ' A' ' 155' ' ' LEU . 0.4 OUTLIER -41.37 -33.1 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.107 . . . . 0.0 109.232 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 152' ' ' ASN . . . . . 0.475 ' OD1' ' CE ' ' A' ' 165' ' ' LYS . 41.9 t-20 -73.98 -49.56 23.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.259 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 153' ' ' ILE . . . . . 0.444 ' N ' ' O ' ' A' ' 150' ' ' ARG . 5.6 mt -60.02 -64.98 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -46.27 -30.73 2.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.269 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 0.857 HD11 HD12 ' A' ' 172' ' ' LEU . 5.5 mt -68.61 -60.98 2.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -50.29 -22.91 1.98 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.59 -33.69 69.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 158' ' ' GLY . . . . . 0.532 ' O ' HD22 ' A' ' 159' ' ' LEU . . . -126.36 39.99 1.9 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.531 1.144 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.728 HD12 ' HB2' ' A' ' 165' ' ' LYS . 0.6 OUTLIER -129.89 116.42 18.04 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.529 0.782 . . . . 0.0 109.305 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 165.93 30.29 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.55 1.816 . . . . 0.0 111.006 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.14 4.27 20.65 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -114.13 20.72 16.36 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.51 1.131 . . . . 0.0 111.025 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 163' ' ' THR . . . . . 0.551 HG23 ' HD2' ' A' ' 164' ' ' PRO . 1.2 m -145.91 142.05 17.38 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.498 0.764 . . . . 0.0 110.355 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 164' ' ' PRO . . . . . 0.551 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.2 Cg_endo -74.98 137.49 21.84 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.549 1.815 . . . . 0.0 111.023 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 165' ' ' LYS . . . . . 0.728 ' HB2' HD12 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -117.07 -38.16 3.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 166' ' ' ASP . . . . . 0.509 ' N ' ' CD ' ' A' ' 167' ' ' PRO . 0.2 OUTLIER -40.05 -52.27 5.48 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.329 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 167' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 166' ' ' ASP . 18.1 Cg_endo -75.04 -51.06 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.235 0 O-C-N 124.518 1.799 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -46.92 -35.52 2.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.258 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 169' ' ' LEU . . . . . 0.844 HD21 HD22 ' A' ' 195' ' ' LEU . 50.6 tp -64.91 -67.35 0.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.09 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 170' ' ' ARG . . . . . 0.493 ' O ' ' CB ' ' A' ' 174' ' ' TYR . 1.0 OUTLIER -45.99 -35.19 4.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.264 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.17 -37.55 83.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.049 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.857 HD12 HD11 ' A' ' 155' ' ' LEU . 22.1 mt -70.2 -46.97 63.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.343 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 173' ' ' ALA . . . . . 0.485 ' HB3' ' SD ' ' A' ' 198' ' ' MET . . . -75.88 -1.87 27.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.368 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 174' ' ' TYR . . . . . 0.493 ' CB ' ' O ' ' A' ' 170' ' ' ARG . 0.5 OUTLIER -99.72 -72.1 0.68 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 175' ' ' SER . . . . . 0.431 ' N ' ' CG ' ' A' ' 174' ' ' TYR . 0.2 OUTLIER -63.5 -56.56 15.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 0.0 110.011 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 176' ' ' ASN . . . . . 0.48 ' CB ' HD23 ' A' ' 137' ' ' LEU . 3.2 m-20 -79.45 58.34 2.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.559 1.162 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 177' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' A' ' 178' ' ' ASN . . . -139.62 88.55 2.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.474 1.109 . . . . 0.0 109.355 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 178' ' ' ASN . . . . . 0.615 HD21 ' N ' ' A' ' 178' ' ' ASN . 0.2 OUTLIER 40.38 -159.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.281 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.33 -7.37 10.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.534 1.146 . . . . 0.0 109.258 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 180' ' ' GLU . . . . . 0.427 ' HG2' ' N ' ' A' ' 181' ' ' CYS . 18.7 pm0 -113.1 -26.09 8.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.329 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 181' ' ' CYS . . . . . 0.456 ' O ' ' N ' ' A' ' 184' ' ' LEU . 1.1 m -65.65 -58.48 5.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 108.243 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 182' ' ' GLN . . . . . 0.466 ' HG3' ' CD1' ' A' ' 174' ' ' TYR . 6.9 tt0 -46.08 -37.2 6.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.229 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -37.37 83.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.662 HD23 ' O ' ' A' ' 184' ' ' LEU . 3.4 tt -59.51 -50.28 74.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 185' ' ' LEU . . . . . 0.455 HD23 ' NE2' ' A' ' 190' ' ' HIS . 5.3 mt -50.92 -53.41 32.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 186' ' ' GLN . . . . . 0.552 ' NE2' HG21 ' A' ' 191' ' ' THR . 23.1 mm-40 -58.78 -54.99 40.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.415 1.072 . . . . 0.0 110.294 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -45.79 -43.51 13.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 188' ' ' ARG . . . . . 0.406 ' HG3' ' CD2' ' A' ' 184' ' ' LEU . 0.1 OUTLIER -61.21 -34.45 75.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.344 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 189' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 186' ' ' GLN . . . 79.16 46.28 8.33 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.49 1.118 . . . . 0.0 110.969 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 190' ' ' HIS . . . . . 0.602 ' CG ' ' O ' ' A' ' 190' ' ' HIS . 1.8 p80 -149.7 45.8 0.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.771 . . . . 0.0 109.53 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 191' ' ' THR . . . . . 0.552 HG21 ' NE2' ' A' ' 186' ' ' GLN . 1.0 OUTLIER -65.8 -48.04 73.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.409 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -84.08 57.73 4.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 193' ' ' SER . . . . . 0.534 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER -129.21 179.65 1.25 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.005 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 194' ' ' PRO . . . . . 0.534 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.6 Cg_endo -74.9 -167.23 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.469 1.773 . . . . 0.0 111.001 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 195' ' ' LEU . . . . . 0.844 HD22 HD21 ' A' ' 169' ' ' LEU . 13.1 tp -86.36 -49.95 7.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.363 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -43.3 -40.99 4.86 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.528 1.143 . . . . 0.0 111.047 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 197' ' ' ASP . . . . . 0.459 ' HB3' ' CE1' ' A' ' 190' ' ' HIS . 2.0 t0 -67.48 -39.49 85.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.578 0.81 . . . . 0.0 109.223 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 198' ' ' MET . . . . . 0.485 ' SD ' ' HB3' ' A' ' 173' ' ' ALA . 52.5 ttm -60.74 -28.42 68.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.929 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 199' ' ' LEU . . . . . 0.639 HD21 HG11 ' A' ' 148' ' ' VAL . 2.0 mm? -80.36 -24.97 39.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.355 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 200' ' ' ARG . . . . . 0.4 ' O ' ' HG2' ' A' ' 203' ' ' GLN . 0.0 OUTLIER -84.9 -8.89 58.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.32 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -99.66 -30.47 12.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.394 1.059 . . . . 0.0 109.325 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 202' ' ' CYS . . . . . . . . . . . . . 14.0 p -87.77 -16.54 33.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.591 1.182 . . . . 0.0 108.308 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 203' ' ' GLN . . . . . 0.405 ' HB3' ' O ' ' A' ' 199' ' ' LEU . 8.4 pt20 -57.03 -16.75 7.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.251 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.347 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.494 ' HE1' ' CD2' ' A' ' 20' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.523 0.201 . . . . 0.0 110.996 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.8 pm0 -95.47 -176.0 3.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.092 . . . . 0.0 110.36 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -43.5 73.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.73 -50.13 73.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -52.57 -52.36 55.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.521 ' HB3' ' CE2' ' A' ' 61' ' ' TYR . 21.4 mt -61.09 -29.33 69.69 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -68.62 -54.9 13.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.34 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.39 -44.03 65.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.411 ' C ' ' N ' ' A' ' 25' ' ' GLN . 15.3 mt -57.62 -54.49 30.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.0 ttpp -46.13 -26.25 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.411 ' N ' ' C ' ' A' ' 23' ' ' ILE . 0.3 OUTLIER -75.24 -68.41 0.56 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.613 ' CD ' HG23 ' A' ' 40' ' ' THR . 3.9 pt-20 -51.34 -25.57 6.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.665 HG23 HG21 ' A' ' 40' ' ' THR . 43.7 t -78.77 -48.0 22.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.2 t -51.0 -24.07 3.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.049 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.49 -40.89 56.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.28 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.663 ' HB1' ' HB3' ' A' ' 36' ' ' GLN . . . -52.46 166.96 0.15 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 109.269 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.449 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -104.35 162.82 18.7 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.449 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.6 Cg_endo -75.01 118.9 5.43 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.446 1.761 . . . . 0.0 111.035 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 72.1 30.85 64.75 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.501 1.126 . . . . 0.0 111.033 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.425 ' OG ' ' HB3' ' A' ' 31' ' ' ALA . 63.8 m -117.96 152.81 50.7 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.555 0.797 . . . . 0.0 110.002 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 50.85 2.63 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.52 1.8 . . . . 0.0 110.974 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.663 ' HB3' ' HB1' ' A' ' 30' ' ' ALA . 31.0 tp60 -121.25 -49.91 2.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.326 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.895 ' CE1' HD11 ' A' ' 41' ' ' ILE . 5.7 t80 -62.28 -64.34 0.96 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 110.963 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 9.5 tpt -44.23 -35.5 2.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -63.7 -38.41 91.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 110.258 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.665 HG21 HG23 ' A' ' 27' ' ' VAL . 1.2 m -69.8 -16.68 63.32 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 110.364 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.895 HD11 ' CE1' ' A' ' 37' ' ' PHE . 10.1 mm -80.72 -40.66 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.347 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.51 -37.67 68.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.163 . . . . 0.0 110.337 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.05 -43.36 95.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.351 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.52 -36.76 83.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.468 HG22 ' HD2' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -70.66 -25.28 26.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.78 -0.94 47.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.32 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -92.47 -71.75 0.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -108.68 -26.47 10.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 0.0 111.059 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 72.2 94.98 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.468 ' HD2' HG22 ' A' ' 45' ' ' VAL . 18.4 Cg_endo -75.01 150.74 38.53 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.494 1.786 . . . . 0.0 110.996 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.0 p -88.81 -177.04 5.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.436 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.07 -51.3 58.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.358 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.412 ' HD3' ' ND2' ' A' ' 102' ' ' ASN . 0.0 OUTLIER -58.16 -59.98 4.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.39 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -44.33 -39.73 4.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 1.076 HD13 ' CG ' ' A' ' 117' ' ' TRP . 25.6 mt -67.69 -44.44 77.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 53' ' ' LYS . 16.9 tp60 -53.65 -53.23 54.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -66.28 -43.62 85.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.599 1.187 . . . . 0.0 109.352 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 21.1 tp -55.59 -28.12 53.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.624 HD23 ' HE1' ' A' ' 72' ' ' HIS . 26.3 tp -73.47 -38.48 65.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.66 4.59 46.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.27 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.521 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 1.3 t80 -96.7 -49.22 5.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 110.958 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.0 mt -112.69 -57.46 2.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.253 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.583 ' CB ' HD12 ' A' ' 59' ' ' LEU . 1.3 m -52.56 123.83 12.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 108.223 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.0 p -65.04 165.36 11.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.577 1.173 . . . . 0.0 110.025 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.468 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 1.7 m -50.32 -70.0 0.1 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.157 . . . . 0.0 109.958 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.2 tp -44.63 -57.47 3.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.451 HG13 HD13 ' A' ' 124' ' ' LEU . 1.4 t -49.16 -48.73 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.233 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 65' ' ' SER . . . -51.65 -54.25 30.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.5 p -53.7 -44.83 70.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.059 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.94 -44.65 87.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.751 ' NE2' ' HB3' ' A' ' 120' ' ' ALA . 53.3 t-80 -65.27 -37.89 88.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.532 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.624 ' HE1' HD23 ' A' ' 59' ' ' LEU . 27.1 m80 -54.99 -42.49 72.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.597 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -71.91 -52.62 16.35 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.434 1.084 . . . . 0.0 110.369 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.405 ' O ' HD13 ' A' ' 78' ' ' LEU . 2.2 mp0 -52.77 -23.63 7.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.556 HD23 ' CB ' ' A' ' 120' ' ' ALA . 0.2 OUTLIER -83.47 -58.95 2.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.256 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -42.34 -39.08 2.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 109.249 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.49 -48.31 49.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.018 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.86 ' HB3' HD11 ' A' ' 116' ' ' LEU . 0.8 OUTLIER -53.54 -53.32 53.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.568 1.167 . . . . 0.0 109.345 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.732 HG23 HD22 ' A' ' 97' ' ' LEU . 6.9 mm -49.41 -50.53 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.466 ' HA ' ' CG ' ' A' ' 83' ' ' GLU . 1.6 p -48.67 -35.02 12.96 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.549 1.156 . . . . 0.0 110.04 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -65.62 -36.45 83.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 110.224 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.684 ' HB1' HG12 ' A' ' 87' ' ' ILE . . . -72.01 -65.4 0.77 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.553 1.158 . . . . 0.0 109.346 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.466 ' CG ' ' HA ' ' A' ' 80' ' ' SER . 1.5 pt-20 -49.78 -23.11 1.67 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.402 ' CB ' ' O ' ' A' ' 80' ' ' SER . 1.2 m -73.65 -42.98 60.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 110.374 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.38 -1.57 37.68 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.581 1.176 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 83.36 -9.94 60.13 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.443 1.089 . . . . 0.0 110.993 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.847 HG21 HD11 ' A' ' 109' ' ' LEU . 67.7 mt 59.64 154.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 0.781 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.511 HG23 ' N ' ' A' ' 89' ' ' GLY . 3.2 t -52.85 -55.86 20.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.377 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.511 ' N ' HG23 ' A' ' 88' ' ' THR . . . -151.73 59.46 0.42 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.58 1.175 . . . . 0.0 110.938 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.544 ' CG ' ' N ' ' A' ' 91' ' ' ASN . 16.9 t80 -78.95 169.07 18.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 0.755 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.544 ' N ' ' CG ' ' A' ' 90' ' ' TYR . 2.1 t-20 -130.18 129.23 22.88 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 C--N 1.36 1.169 0 O-C-N 124.479 1.778 . . . . 0.0 111.01 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.544 ' HB2' HG23 ' A' ' 99' ' ' VAL . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.86 0 N-CA-C 111.044 -0.406 . . . . 0.0 111.044 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.732 HD22 HG23 ' A' ' 79' ' ' ILE . 7.1 tp -53.89 -20.68 6.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 9.8 ptt180 -74.32 -8.37 56.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.276 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.544 HG23 ' HB2' ' A' ' 96' ' ' PRO . 53.5 t -99.62 -59.63 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.56 ' CD ' HD12 ' A' ' 97' ' ' LEU . 4.8 pt20 -56.83 -17.95 11.15 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.551 1.157 . . . . 0.0 110.274 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.33 -38.09 56.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.412 ' ND2' ' HD3' ' A' ' 53' ' ' LYS . 29.2 p30 -101.26 33.19 2.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -107.08 140.28 21.26 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.219 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 48.79 2.07 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.523 1.801 . . . . 0.0 111.033 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -144.69 -47.14 0.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.285 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -89.36 113.92 25.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.312 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -106.58 -34.49 7.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -65.96 -58.67 8.58 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.454 1.096 . . . . 0.0 110.985 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.847 HD11 HG21 ' A' ' 87' ' ' ILE . 0.4 OUTLIER -60.78 -51.69 68.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 0.767 . . . . 0.0 109.317 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -43.04 -35.43 1.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 110.377 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.7 -53.91 7.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.535 1.147 . . . . 0.0 110.279 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -17.22 9.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -84.91 -39.19 18.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -63.44 -48.95 75.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.57 1.169 . . . . 0.0 110.35 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -68.32 -35.78 78.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.436 1.085 . . . . 0.0 110.265 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.86 HD11 ' HB3' ' A' ' 78' ' ' LEU . 8.2 tt -66.72 -36.71 83.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 1.076 ' CG ' HD13 ' A' ' 55' ' ' LEU . 86.5 t90 -62.61 -43.34 99.05 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.766 HD21 HG22 ' A' ' 41' ' ' ILE . 65.7 mt -65.63 -31.8 73.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.484 ' HB3' ' O ' ' A' ' 116' ' ' LEU . . . -57.65 -60.6 3.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.751 ' HB3' ' NE2' ' A' ' 71' ' ' HIS . . . -58.23 -37.24 74.49 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.789 ' CE1' ' CZ2' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -60.38 -31.91 70.8 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 110.918 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -97.18 0.75 48.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -92.98 -0.15 57.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.451 HD13 HG13 ' A' ' 67' ' ' VAL . 60.1 mt -74.65 154.32 87.41 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.562 1.822 . . . . 0.0 110.978 -179.959 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 131' ' ' PRO . . . . . 0.661 ' HG2' ' HB2' ' A' ' 134' ' ' ALA . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.885 0 N-CA-C 111.057 -0.401 . . . . 0.0 111.057 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.51 -31.96 63.98 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.616 1.197 . . . . 0.0 109.935 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.782 ' HA ' HD12 ' A' ' 136' ' ' ILE . 20.8 p-90 -73.67 -15.41 61.24 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.661 ' HB2' ' HG2' ' A' ' 131' ' ' PRO . . . -65.34 -11.08 38.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 3.4 t -133.4 33.27 3.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.782 HD12 ' HA ' ' A' ' 133' ' ' TRP . 65.1 mt -115.59 117.22 54.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.81 162.61 35.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.079 . . . . 0.0 109.302 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' GLN . . . . . 0.568 ' OE1' ' CD1' ' A' ' 144' ' ' TYR . 4.9 tt0 -87.97 103.06 15.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 110.268 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -59.18 159.43 19.2 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.585 1.178 . . . . 0.0 110.974 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.766 HD13 ' O ' ' A' ' 140' ' ' LEU . 3.3 tm? -67.1 -25.03 66.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 0.748 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -116.65 40.07 3.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 110.236 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -138.97 159.64 66.08 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.442 1.089 . . . . 0.0 110.272 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 150.82 38.59 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.483 1.78 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' TYR . . . . . 1.045 ' O ' HG23 ' A' ' 148' ' ' VAL . 6.5 t80 -105.04 -40.04 6.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 111.04 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 145' ' ' HIS . . . . . 0.487 ' HA ' ' CD1' ' A' ' 199' ' ' LEU . 0.0 OUTLIER -60.63 -53.78 53.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.575 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.0 -26.91 68.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.358 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 147' ' ' PHE . . . . . 0.703 ' CE2' HD12 ' A' ' 151' ' ' LEU . 60.3 t80 -73.5 -42.8 61.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.137 . . . . 0.0 111.0 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 1.045 HG23 ' O ' ' A' ' 144' ' ' TYR . 46.7 t -58.03 -46.57 87.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 109.258 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 149' ' ' GLU . . . . . 0.498 ' O ' HD12 ' A' ' 153' ' ' ILE . 5.6 tt0 -56.78 -56.13 25.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.264 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 150' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 153' ' ' ILE . 4.6 mmt180 -56.59 -47.86 78.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.703 HD12 ' CE2' ' A' ' 147' ' ' PHE . 0.7 OUTLIER -44.76 -41.63 7.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -66.48 -40.9 89.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 153' ' ' ILE . . . . . 0.498 HD12 ' O ' ' A' ' 149' ' ' GLU . 1.2 mp -65.09 -69.22 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 154' ' ' ALA . . . . . 0.432 ' N ' HG22 ' A' ' 153' ' ' ILE . . . -41.87 -29.06 0.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 0.819 HD11 HD12 ' A' ' 172' ' ' LEU . 6.4 mt -76.67 -50.47 13.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 153' ' ' ILE . 12.9 t70 -52.78 -20.46 3.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -92.1 -25.47 18.73 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.57 1.169 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 158' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 155' ' ' LEU . . . -136.73 53.88 0.73 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.513 1.133 . . . . 0.0 111.039 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.652 ' HG ' HD22 ' A' ' 155' ' ' LEU . 0.2 OUTLIER -166.07 103.63 0.71 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.75 . . . . 0.0 109.281 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 157.19 43.08 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.419 1.747 . . . . 0.0 111.022 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 163' ' ' THR . 6.4 mt-10 -61.49 -51.07 70.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.275 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -40.06 -28.43 0.16 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.469 1.106 . . . . 0.0 111.015 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 163' ' ' THR . . . . . 0.716 HG23 ' HD2' ' A' ' 164' ' ' PRO . 1.9 m -100.23 145.67 30.64 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.444 0.732 . . . . 0.0 110.417 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 164' ' ' PRO . . . . . 0.716 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.5 Cg_endo -75.03 128.48 11.5 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.465 1.771 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 165' ' ' LYS . . . . . 0.407 ' HB2' HD12 ' A' ' 159' ' ' LEU . 1.1 tmpt? -110.13 -24.54 10.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 166' ' ' ASP . . . . . 0.493 ' CB ' ' HD3' ' A' ' 167' ' ' PRO . 0.4 OUTLIER -52.6 -52.59 62.45 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 167' ' ' PRO . . . . . 0.493 ' HD3' ' CB ' ' A' ' 166' ' ' ASP . 18.1 Cg_endo -75.01 -37.19 2.13 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.553 1.817 . . . . 0.0 110.966 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 168' ' ' ILE . . . . . 0.435 ' CD1' HD21 ' A' ' 159' ' ' LEU . 0.0 OUTLIER -61.51 -34.7 62.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.571 1.17 . . . . 0.0 109.319 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 169' ' ' LEU . . . . . 0.414 HD11 ' HB3' ' A' ' 151' ' ' LEU . 12.5 tp -71.24 -58.99 3.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 7.5 mtm105 -47.39 -25.41 1.02 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 110.28 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.17 -57.68 3.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 109.922 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.819 HD12 HD11 ' A' ' 155' ' ' LEU . 27.6 mt -51.97 -21.04 2.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 173' ' ' ALA . . . . . 0.969 ' O ' ' HB2' ' A' ' 177' ' ' ALA . . . -91.41 -68.05 0.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.102 . . . . 0.0 109.271 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 174' ' ' TYR . . . . . 0.558 ' CD2' HD13 ' A' ' 185' ' ' LEU . 3.0 t80 -73.81 -65.68 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 110.949 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 8.1 t -43.49 -27.99 0.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.944 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 176' ' ' ASN . . . . . 0.401 ' N ' ' C ' ' A' ' 174' ' ' TYR . 54.9 m-20 -126.27 56.39 1.45 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 177' ' ' ALA . . . . . 0.969 ' HB2' ' O ' ' A' ' 173' ' ' ALA . . . -121.53 136.94 54.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 178' ' ' ASN . . . . . 0.447 ' OD1' ' N ' ' A' ' 178' ' ' ASN . 2.8 p-10 -52.58 -175.67 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.33 -47.63 22.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 180' ' ' GLU . . . . . 0.473 ' HB2' ' CD2' ' A' ' 140' ' ' LEU . 1.1 tp10 -56.58 -27.31 57.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.595 1.185 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 181' ' ' CYS . . . . . 0.545 ' SG ' ' CE2' ' A' ' 144' ' ' TYR . 54.0 t -84.51 -68.98 0.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 108.259 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 182' ' ' GLN . . . . . 0.408 ' HG3' ' N ' ' A' ' 183' ' ' LYS . 3.1 pp0? -44.13 -33.53 1.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.362 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 183' ' ' LYS . . . . . 0.408 ' N ' ' HG3' ' A' ' 182' ' ' GLN . 11.5 ttpp -73.43 -42.32 62.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.591 1.182 . . . . 0.0 109.316 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.672 HD23 ' O ' ' A' ' 184' ' ' LEU . 2.1 tt -57.79 -50.46 73.18 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 185' ' ' LEU . . . . . 0.961 HD11 ' SD ' ' A' ' 198' ' ' MET . 6.7 mt -52.37 -55.6 20.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 186' ' ' GLN . . . . . 0.422 ' NE2' ' OH ' ' A' ' 174' ' ' TYR . 20.5 mm-40 -55.59 -47.3 76.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.329 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -58.08 -21.64 46.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 188' ' ' ARG . . . . . 0.472 ' HG3' ' CD2' ' A' ' 184' ' ' LEU . 0.0 OUTLIER -91.9 -22.04 20.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.536 1.147 . . . . 0.0 110.296 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 65.93 55.51 19.06 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 190' ' ' HIS . . . . . 0.79 ' NE2' HD23 ' A' ' 185' ' ' LEU . 1.5 p80 -155.02 36.92 0.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 0.741 . . . . 0.0 109.619 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 191' ' ' THR . . . . . 0.41 ' HB ' ' CE2' ' A' ' 174' ' ' TYR . 43.4 p -60.84 -60.22 4.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.402 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -77.16 59.99 1.83 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 193' ' ' SER . . . . . 0.539 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER -134.64 -179.47 1.08 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.974 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 194' ' ' PRO . . . . . 0.539 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.4 Cg_endo -74.96 -168.6 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.495 1.787 . . . . 0.0 110.962 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 195' ' ' LEU . . . . . 0.808 HD21 ' CG1' ' A' ' 148' ' ' VAL . 4.7 tp -86.05 -36.36 19.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -45.54 -40.43 8.52 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.544 1.153 . . . . 0.0 110.976 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 197' ' ' ASP . . . . . 0.403 ' HB3' ' ND1' ' A' ' 190' ' ' HIS . 13.6 m-20 -77.3 -29.17 53.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 0.741 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 198' ' ' MET . . . . . 0.961 ' SD ' HD11 ' A' ' 185' ' ' LEU . 32.7 tpp -60.28 -50.17 74.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 111.011 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 199' ' ' LEU . . . . . 0.512 HD21 HG11 ' A' ' 148' ' ' VAL . 2.7 mm? -73.3 -22.6 60.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.259 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -79.73 -17.52 53.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.261 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -93.01 -37.33 12.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.652 1.22 . . . . 0.0 109.308 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 202' ' ' CYS . . . . . 0.41 ' O ' ' C ' ' A' ' 203' ' ' GLN . 43.4 t -81.08 -21.39 40.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.149 . . . . 0.0 108.33 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 203' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 202' ' ' CYS . 12.8 pt20 -38.16 -36.54 0.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 110.288 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 6.6 t . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.346 -179.952 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.569 ' HG3' ' CZ ' ' A' ' 48' ' ' PHE . 2.8 ttt . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.479 0.18 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 19' ' ' ASP . 0.0 OUTLIER -80.02 153.92 28.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.52 -25.6 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.908 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.44 -41.39 96.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 109.347 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 16' ' ' GLN . 0.6 OUTLIER -59.05 -58.77 7.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.092 . . . . 0.0 109.287 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.772 ' HA ' HD12 ' A' ' 23' ' ' ILE . 4.6 mt -54.72 -27.03 37.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -71.55 -53.4 13.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.277 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.08 -30.59 68.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.098 . . . . 0.0 109.343 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.772 HD12 ' HA ' ' A' ' 20' ' ' LEU . 55.0 mt -66.39 -51.27 60.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.628 ' HA ' HD21 ' A' ' 62' ' ' LEU . 4.1 ttpp -51.59 -28.34 13.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.596 1.185 . . . . 0.0 109.374 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -72.17 -69.82 0.37 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.553 1.158 . . . . 0.0 110.297 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.767 ' CD ' HG23 ' A' ' 40' ' ' THR . 2.6 pt-20 -51.96 -23.74 5.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.267 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.869 HG23 HG21 ' A' ' 40' ' ' THR . 5.3 t -79.06 -47.6 22.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.353 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.2 t -48.18 -35.15 11.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 109.961 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -67.9 -32.34 72.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.273 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 27' ' ' VAL . . . -47.64 168.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.687 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -109.45 172.36 3.7 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.687 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.4 Cg_endo -75.03 115.82 4.4 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.508 1.794 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 57.8 43.72 94.53 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.552 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 2.9 m -118.81 157.28 50.56 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.581 0.812 . . . . 0.0 109.962 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 48.48 2.01 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.401 1.738 . . . . 0.0 111.025 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -121.64 -58.8 1.73 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.642 ' HD2' HG13 ' A' ' 27' ' ' VAL . 3.0 t80 -54.91 -52.95 61.31 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.549 1.155 . . . . 0.0 110.985 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.563 ' HE1' ' HB3' ' A' ' 118' ' ' LEU . 0.0 OUTLIER -57.83 -41.95 83.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 42.2 tp60 -56.46 -36.16 68.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.869 HG21 HG23 ' A' ' 27' ' ' VAL . 1.3 m -68.32 -31.18 70.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.412 1.07 . . . . 0.0 110.417 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.693 HG22 HD21 ' A' ' 118' ' ' LEU . 16.8 mm -63.98 -47.67 89.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.2 tpp180 -66.04 -28.68 69.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.369 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.3 tp -67.29 -34.39 77.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.248 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.27 -42.96 22.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.113 . . . . 0.0 109.286 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.834 HG11 HD11 ' A' ' 118' ' ' LEU . 0.5 OUTLIER -68.53 -18.52 23.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -99.55 -24.22 14.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 110.26 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -67.42 -68.49 0.38 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 110.259 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.569 ' CZ ' ' HG3' ' A' ' 15' ' ' MET . 12.3 p90 -115.31 -28.18 6.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.423 ' OD1' ' NE2' ' A' ' 114' ' ' GLN . 6.9 t70 75.4 94.79 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.431 ' CD ' ' HA ' ' A' ' 45' ' ' VAL . 18.1 Cg_endo -75.0 160.5 40.08 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.498 1.789 . . . . 0.0 110.955 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.6 p -90.41 -179.36 5.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 110.37 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.77 -51.99 66.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -51.74 -52.13 50.92 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.558 1.161 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -55.0 -49.63 71.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.253 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.939 HD13 ' CG ' ' A' ' 117' ' ' TRP . 20.0 mt -54.33 -47.76 72.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -48.38 -48.36 36.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.321 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.413 ' C ' ' N ' ' A' ' 59' ' ' LEU . 2.1 m-20 -69.79 -53.47 18.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.513 HD11 HD12 ' A' ' 62' ' ' LEU . 18.4 tp -48.21 -24.31 1.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.412 1.07 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.497 HD13 ' HE1' ' A' ' 121' ' ' PHE . 50.6 tp -76.9 -52.22 9.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.23 25.01 2.32 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.519 1.137 . . . . 0.0 110.237 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.461 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 36.0 t80 -120.69 -49.78 2.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.173 . . . . 0.0 111.007 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.628 HD21 ' HA ' ' A' ' 24' ' ' LYS . 3.5 mt -88.54 -53.27 4.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.536 ' SG ' HG11 ' A' ' 67' ' ' VAL . 60.4 m -82.12 -173.92 4.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 108.227 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.8 m -104.89 175.9 5.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.998 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.0 m -59.34 -44.28 92.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.047 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.7 tp -52.78 -60.33 3.4 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.45 1.094 . . . . 0.0 109.413 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.536 HG11 ' SG ' ' A' ' 63' ' ' CYS . 2.4 t -49.58 -49.02 19.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.147 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.405 ' HA ' HD21 ' A' ' 59' ' ' LEU . . . -51.19 -47.11 62.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.8 p -60.08 -54.03 50.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.985 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.444 ' O ' ' NE2' ' A' ' 74' ' ' GLN . 63.5 mt -50.84 -51.91 46.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.473 ' CE1' HD23 ' A' ' 75' ' ' LEU . 2.5 t60 -57.44 -44.23 84.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.608 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -52.96 -23.55 7.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.633 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -80.9 -70.89 0.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.258 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.82 ' O ' HD13 ' A' ' 78' ' ' LEU . 0.4 OUTLIER -47.2 -44.84 22.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.257 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.509 HD21 HD23 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -58.44 -52.59 64.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -47.6 -51.47 21.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.1 t -62.7 -40.29 96.67 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.494 1.121 . . . . 0.0 109.96 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.82 HD13 ' O ' ' A' ' 74' ' ' GLN . 5.9 mp -54.58 -45.52 73.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.618 HD12 HD21 ' A' ' 97' ' ' LEU . 12.2 mm -56.45 -54.62 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.427 ' HA ' ' CG ' ' A' ' 83' ' ' GLU . 0.5 OUTLIER -46.57 -28.81 1.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.409 1.068 . . . . 0.0 110.034 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -71.79 -39.42 69.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.33 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.808 ' HB1' HG12 ' A' ' 87' ' ' ILE . . . -65.53 -58.69 5.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.427 ' CG ' ' HA ' ' A' ' 80' ' ' SER . 0.0 OUTLIER -55.15 -35.27 64.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.309 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.7 m -67.38 -47.22 71.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.592 1.183 . . . . 0.0 110.448 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.87 0.06 22.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 110.282 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 71.78 88.06 0.14 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.525 1.141 . . . . 0.0 110.966 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.808 HG12 ' HB1' ' A' ' 82' ' ' ALA . 82.2 mt -52.41 156.41 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.459 0.74 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.727 HG23 ' H ' ' A' ' 89' ' ' GLY . 0.0 OUTLIER -42.75 -73.8 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.382 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.727 ' H ' HG23 ' A' ' 88' ' ' THR . . . -140.35 54.69 0.65 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.482 1.114 . . . . 0.0 111.026 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.466 ' HB2' ' CG2' ' A' ' 87' ' ' ILE . 60.4 t80 -80.26 142.34 34.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 0.733 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -109.61 100.54 42.64 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 0.0 110.989 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.471 ' HB2' ' CG2' ' A' ' 99' ' ' VAL . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.802 0 N-CA-C 110.931 -0.449 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.618 HD21 HD12 ' A' ' 79' ' ' ILE . 19.0 tp -120.27 -48.79 2.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.439 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 0.1 OUTLIER -60.95 -27.4 68.21 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.439 1.087 . . . . 0.0 110.334 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.471 ' CG2' ' HB2' ' A' ' 96' ' ' PRO . 92.6 t -61.39 -47.12 94.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -71.35 -28.71 64.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.308 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.52 -37.98 71.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.375 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 98' ' ' ARG . 25.3 p30 -102.17 35.68 2.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -109.86 134.9 20.51 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.419 1.074 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 48.58 2.02 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.405 1.739 . . . . 0.0 110.973 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 20.7 mm-40 -147.72 -48.61 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.337 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -85.3 116.39 23.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.26 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 13.4 tm0? -106.41 -33.89 7.59 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -61.06 -56.89 21.42 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.868 HD23 ' HG2' ' A' ' 112' ' ' GLU . 1.3 mt -62.24 -44.91 95.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 0.734 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.45 -38.75 4.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 110.248 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.403 ' C ' ' N ' ' A' ' 113' ' ' TYR . 0.3 OUTLIER -75.75 -61.14 2.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.275 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.868 ' HG2' HD23 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -46.47 -24.71 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 0.0 110.256 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.426 ' N ' ' HG3' ' A' ' 112' ' ' GLU . 7.1 t80 -79.65 -40.89 28.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 111.017 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.423 ' NE2' ' OD1' ' A' ' 49' ' ' ASP . 26.5 mt-30 -59.36 -46.46 88.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.8 -49.82 23.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.708 HD11 ' HB3' ' A' ' 78' ' ' LEU . 7.6 tt -51.84 -42.44 62.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.939 ' CG ' HD13 ' A' ' 55' ' ' LEU . 74.4 t90 -59.27 -51.52 69.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.567 1.167 . . . . 0.0 107.975 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.834 HD11 HG11 ' A' ' 45' ' ' VAL . 64.9 mt -54.99 -36.08 65.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 116' ' ' LEU . . . -55.59 -58.58 7.19 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.435 1.084 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.503 ' HB1' ' HG3' ' A' ' 74' ' ' GLN . . . -51.45 -47.21 63.16 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.799 ' CE1' ' CZ2' ' A' ' 117' ' ' TRP . 0.3 OUTLIER -55.16 -50.03 70.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.59 -2.77 30.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.466 ' HB3' ' OE1' ' A' ' 74' ' ' GLN . . . -95.35 8.09 44.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.349 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 24.9 mt -86.84 157.55 54.56 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.115 . . . . 0.0 109.343 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.479 1.778 . . . . 0.0 111.008 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 131' ' ' PRO . . . . . 0.793 ' HG2' ' HB2' ' A' ' 134' ' ' ALA . 17.9 Cg_endo . . . . . 0 N--CA 1.453 -0.859 0 N-CA-C 110.95 -0.442 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.97 -31.18 58.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.965 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.773 ' HA ' HD12 ' A' ' 136' ' ' ILE . 25.5 p-90 -75.06 -10.08 59.14 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.571 1.17 . . . . 0.0 107.936 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.793 ' HB2' ' HG2' ' A' ' 131' ' ' PRO . . . -69.38 -8.29 45.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.236 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.04 30.6 4.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.03 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.773 HD12 ' HA ' ' A' ' 133' ' ' TRP . 44.4 mt -119.9 118.64 57.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.641 HD23 ' OD1' ' A' ' 176' ' ' ASN . 0.3 OUTLIER -135.5 -178.5 5.14 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 138' ' ' GLN . . . . . 0.44 ' HG3' ' CG ' ' A' ' 144' ' ' TYR . 0.0 OUTLIER -99.04 113.58 25.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.274 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 139' ' ' GLY . . . . . 0.423 ' O ' ' NE2' ' A' ' 138' ' ' GLN . . . -70.08 144.99 40.54 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.7 HD21 ' HB2' ' A' ' 180' ' ' GLU . 2.1 tm? -57.56 -41.81 81.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.767 . . . . 0.0 109.212 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -114.27 41.38 2.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 110.287 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -125.96 160.38 57.1 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' PRO . . . . . 0.479 ' HB2' ' HB3' ' A' ' 146' ' ' ALA . 18.3 Cg_endo -74.98 99.55 1.26 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.579 1.831 . . . . 0.0 110.967 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 144' ' ' TYR . . . . . 0.625 ' O ' HG23 ' A' ' 148' ' ' VAL . 1.3 t80 -62.24 -48.08 81.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 145' ' ' HIS . . . . . 0.5 ' HA ' ' CD1' ' A' ' 199' ' ' LEU . 0.2 OUTLIER -53.03 -55.58 22.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.61 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.479 ' HB3' ' HB2' ' A' ' 143' ' ' PRO . . . -59.88 -24.39 64.23 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.539 1.149 . . . . 0.0 109.341 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 147' ' ' PHE . . . . . 0.538 ' CZ ' ' O ' ' A' ' 137' ' ' LEU . 0.1 OUTLIER -75.39 -41.79 55.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.437 1.086 . . . . 0.0 110.996 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 144' ' ' TYR . 46.2 t -60.18 -46.28 94.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.248 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.23 -53.3 59.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 110.237 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -44.65 93.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.294 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.693 ' O ' HD12 ' A' ' 155' ' ' LEU . 0.8 OUTLIER -49.1 -38.21 23.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.34 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -65.78 -47.85 73.78 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.561 1.163 . . . . 0.0 109.346 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 153' ' ' ILE . . . . . 0.404 ' C ' ' N ' ' A' ' 155' ' ' LEU . 2.8 mt -62.33 -67.93 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -43.76 -29.84 0.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.583 1.177 . . . . 0.0 109.265 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 0.693 HD12 ' O ' ' A' ' 151' ' ' LEU . 5.8 mt -69.0 -60.66 2.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -50.11 -22.74 1.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 157' ' ' ASN . . . . . 0.404 ' N ' ' C ' ' A' ' 155' ' ' LEU . 0.9 OUTLIER -70.31 -30.07 66.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 158' ' ' GLY . . . . . 0.577 ' O ' HD22 ' A' ' 159' ' ' LEU . . . -137.27 44.46 1.14 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.493 1.12 . . . . 0.0 110.959 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.577 HD22 ' O ' ' A' ' 158' ' ' GLY . 0.5 OUTLIER -132.3 116.18 15.26 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.468 0.746 . . . . 0.0 109.319 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 161.74 38.27 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.448 1.762 . . . . 0.0 111.062 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -77.07 -3.99 42.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.327 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -111.39 23.96 16.9 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.52 1.137 . . . . 0.0 111.036 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 163' ' ' THR . . . . . 0.537 HG23 ' HD2' ' A' ' 164' ' ' PRO . 2.5 m -137.33 141.01 32.4 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.471 0.748 . . . . 0.0 110.385 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 164' ' ' PRO . . . . . 0.537 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.3 Cg_endo -75.0 134.23 17.55 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.488 1.783 . . . . 0.0 110.96 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 165' ' ' LYS . . . . . 0.551 ' HB2' HD12 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -113.77 -33.05 5.93 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 166' ' ' ASP . . . . . 0.509 ' N ' ' CD ' ' A' ' 167' ' ' PRO . 0.1 OUTLIER -41.02 -51.91 7.19 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 167' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 166' ' ' ASP . 18.3 Cg_endo -74.98 -52.71 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.538 1.81 . . . . 0.0 110.988 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -45.92 -47.34 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.228 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 169' ' ' LEU . . . . . 0.47 HD13 HD12 ' A' ' 155' ' ' LEU . 28.0 tp -61.48 -53.91 50.26 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 20.6 ttp85 -64.16 -12.04 36.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.273 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 171' ' ' SER . . . . . 0.494 ' O ' ' CB ' ' A' ' 175' ' ' SER . 0.3 OUTLIER -91.14 -33.74 15.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.967 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.504 HD21 ' CE3' ' A' ' 133' ' ' TRP . 7.0 mt -81.58 -16.27 52.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 173' ' ' ALA . . . . . 0.808 ' O ' ' HB2' ' A' ' 177' ' ' ALA . . . -92.91 -32.56 14.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.245 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 174' ' ' TYR . . . . . 0.404 ' C ' ' N ' ' A' ' 176' ' ' ASN . 81.1 t80 -107.28 -68.47 0.89 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 110.971 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 175' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 171' ' ' SER . 0.1 OUTLIER -44.92 -26.87 0.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.102 . . . . 0.0 109.99 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 176' ' ' ASN . . . . . 0.641 ' OD1' HD23 ' A' ' 137' ' ' LEU . 27.6 m-20 -125.04 61.68 1.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.258 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 177' ' ' ALA . . . . . 0.808 ' HB2' ' O ' ' A' ' 173' ' ' ALA . . . -132.98 147.19 52.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 178' ' ' ASN . . . . . 0.549 ' OD1' HD23 ' A' ' 140' ' ' LEU . 0.4 OUTLIER -50.92 179.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.11 -36.53 47.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.221 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 180' ' ' GLU . . . . . 0.7 ' HB2' HD21 ' A' ' 140' ' ' LEU . 0.2 OUTLIER -73.53 -29.73 62.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 110.338 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 181' ' ' CYS . . . . . 0.576 ' SG ' ' CD2' ' A' ' 144' ' ' TYR . 23.3 t -72.03 -59.86 2.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 108.32 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 182' ' ' GLN . . . . . 0.689 ' HG3' ' HB3' ' A' ' 177' ' ' ALA . 27.8 mt-30 -55.78 -43.46 76.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 0.0 110.266 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 9.3 ttpp -60.1 -35.89 76.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.685 ' C ' HD23 ' A' ' 184' ' ' LEU . 3.3 tt -64.21 -56.96 11.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 185' ' ' LEU . . . . . 0.719 HD11 ' HE2' ' A' ' 198' ' ' MET . 4.9 mt -47.27 -50.44 21.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 186' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 189' ' ' GLY . 0.0 OUTLIER -61.32 -60.95 2.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.344 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -44.62 -27.04 0.43 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.138 . . . . 0.0 109.337 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 188' ' ' ARG . . . . . 0.601 ' HD2' ' HB1' ' A' ' 201' ' ' ALA . 0.2 OUTLIER -78.04 -44.89 25.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 189' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 186' ' ' GLN . . . 82.53 72.52 1.26 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.494 1.121 . . . . 0.0 111.043 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 190' ' ' HIS . . . . . 0.688 ' NE2' HD23 ' A' ' 185' ' ' LEU . 4.5 p80 -166.71 29.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 0.733 . . . . 0.0 109.588 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 1.9 p -58.43 -50.26 74.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.336 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -63.97 -32.23 73.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 109.317 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 193' ' ' SER . . . . . 0.497 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.2 OUTLIER -49.46 178.03 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 109.983 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 194' ' ' PRO . . . . . 0.497 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.5 Cg_endo -74.92 -166.69 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.529 1.805 . . . . 0.0 111.065 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 195' ' ' LEU . . . . . 0.998 HD12 ' SD ' ' A' ' 198' ' ' MET . 4.4 tp -86.65 -40.28 15.27 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -47.23 -34.41 8.41 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.468 1.105 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 197' ' ' ASP . . . . . 0.423 ' HB3' ' ND1' ' A' ' 190' ' ' HIS . 46.4 t0 -69.42 -32.3 71.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 0.736 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 198' ' ' MET . . . . . 0.998 ' SD ' HD12 ' A' ' 195' ' ' LEU . 59.1 mtp -62.96 -31.52 72.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 199' ' ' LEU . . . . . 0.505 HD11 ' HB ' ' A' ' 148' ' ' VAL . 2.9 mm? -83.34 -21.69 33.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -91.22 -8.14 49.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 201' ' ' ALA . . . . . 0.601 ' HB1' ' HD2' ' A' ' 188' ' ' ARG . . . -97.21 -38.65 9.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 202' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 203' ' ' GLN . 14.5 p -82.43 -24.22 34.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 108.28 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 203' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 202' ' ' CYS . 17.6 pt20 -35.53 -42.22 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 204' ' ' THR . . . . . 0.406 ' N ' ' HG3' ' A' ' 203' ' ' GLN . 4.4 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.406 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.556 ' HG3' ' CE1' ' A' ' 48' ' ' PHE . 3.0 ttt . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.464 0.174 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 43.3 tp60 -80.99 145.72 31.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.323 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.43 -36.97 7.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.6 pttt -64.59 -40.1 94.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -52.97 -47.13 68.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.478 ' CD2' ' CE ' ' A' ' 15' ' ' MET . 17.0 mt -62.69 -36.82 84.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -63.16 -57.26 11.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.424 1.078 . . . . 0.0 110.295 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.32 -45.47 69.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.455 ' HA ' ' CG ' ' A' ' 26' ' ' GLU . 57.7 mt -51.97 -50.81 32.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.581 1.175 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -50.64 -31.52 16.36 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.518 1.137 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.26 -71.06 0.36 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.661 ' CD ' HG23 ' A' ' 40' ' ' THR . 7.3 pt-20 -46.46 -24.53 0.52 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.517 1.136 . . . . 0.0 110.328 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.575 HG23 HG21 ' A' ' 40' ' ' THR . 14.1 t -80.6 -47.96 20.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.1 t -46.5 -37.46 7.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.024 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -59.16 -42.37 90.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.472 ' CB ' ' HB3' ' A' ' 36' ' ' GLN . . . -62.92 179.27 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.47 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -130.56 163.21 49.94 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.47 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.1 Cg_endo -75.04 63.29 6.02 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.516 1.798 . . . . 0.0 110.965 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 161.7 -34.28 0.37 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.2 t -68.42 141.65 93.6 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.464 0.744 . . . . 0.0 109.988 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 52.07 2.96 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.521 1.801 . . . . 0.0 111.063 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.472 ' HB3' ' CB ' ' A' ' 30' ' ' ALA . 9.5 tp60 -120.93 -41.83 2.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.34 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.422 ' HD1' HG13 ' A' ' 27' ' ' VAL . 3.6 t80 -64.21 -63.0 1.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 9.5 tpt -47.56 -47.09 28.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.937 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -51.17 -48.18 61.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.544 1.152 . . . . 0.0 110.323 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.661 HG23 ' CD ' ' A' ' 26' ' ' GLU . 5.1 m -56.46 -27.71 57.68 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.478 1.111 . . . . 0.0 110.435 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.672 HG22 HD21 ' A' ' 118' ' ' LEU . 4.6 mm -74.81 -39.67 45.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.888 ' HD2' HD13 ' A' ' 118' ' ' LEU . 5.8 mmm180 -74.63 -22.48 58.89 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.6 tp -78.17 -48.3 16.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.53 -49.47 73.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.977 HG11 HD11 ' A' ' 118' ' ' LEU . 0.3 OUTLIER -60.75 -26.61 38.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.328 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -95.29 0.07 53.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.271 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -89.26 -72.11 0.57 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.388 1.055 . . . . 0.0 110.246 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.556 ' CE1' ' HG3' ' A' ' 15' ' ' MET . 8.0 p90 -110.42 -26.4 9.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.427 ' CB ' ' O ' ' A' ' 48' ' ' PHE . 1.9 m-20 76.75 92.58 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.352 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.436 ' HB2' ' CB ' ' A' ' 54' ' ' ASP . 18.1 Cg_endo -75.02 143.39 28.94 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.524 1.802 . . . . 0.0 110.984 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.8 p -65.69 -173.62 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.381 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 98' ' ' ARG . . . -65.83 -52.44 50.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.429 ' HD3' ' N ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -55.7 -39.86 71.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.436 ' CB ' ' HB2' ' A' ' 50' ' ' PRO . 96.3 m-20 -59.12 -40.0 84.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 109.351 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 1.012 HD13 ' CG ' ' A' ' 117' ' ' TRP . 26.0 mt -64.61 -44.63 89.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.438 ' CA ' ' OE1' ' A' ' 56' ' ' GLN . 4.0 tp60 -55.34 -51.6 66.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.298 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -64.92 -45.03 87.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.335 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 20.7 tp -56.19 -31.95 63.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.498 HD12 ' HB2' ' A' ' 63' ' ' CYS . 46.0 tp -64.23 -58.11 7.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.533 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 0.7 OUTLIER -63.46 -23.1 67.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.531 1.145 . . . . 0.0 110.316 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -63.22 -59.44 4.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.7 mt -96.06 -69.28 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.498 ' HB2' HD12 ' A' ' 59' ' ' LEU . 68.4 m -51.97 137.88 25.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.559 1.162 . . . . 0.0 108.245 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.9 t -75.59 -177.59 3.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 109.988 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 36.5 m -61.24 -51.29 69.59 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.491 1.119 . . . . 0.0 109.974 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.1 tp -53.37 -61.21 2.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.523 ' CG1' HD13 ' A' ' 124' ' ' LEU . 18.4 t -54.41 -56.52 9.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.475 ' HA ' HD21 ' A' ' 59' ' ' LEU . . . -43.97 -37.45 2.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.2 p -75.99 -38.75 57.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.976 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 67' ' ' VAL . 20.2 mt -59.88 -54.57 44.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.558 ' CE1' ' CD1' ' A' ' 117' ' ' TRP . 2.0 t60 -60.28 -38.82 84.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.556 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -50.31 -35.71 28.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.576 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -74.07 -63.65 1.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.364 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -47.96 -28.21 2.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 110.383 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.826 HD13 ' CD1' ' A' ' 79' ' ' ILE . 0.4 OUTLIER -79.91 -49.01 12.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -52.05 -46.8 65.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.395 1.059 . . . . 0.0 109.277 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.27 -33.57 75.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.125 . . . . 0.0 110.046 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.912 HD23 ' HG ' ' A' ' 116' ' ' LEU . 4.2 tp -56.74 -56.59 19.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.404 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.826 ' CD1' HD13 ' A' ' 75' ' ' LEU . 2.3 mp -53.19 -46.69 56.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.466 ' HA ' ' CG ' ' A' ' 83' ' ' GLU . 33.4 t -47.93 -31.74 5.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.95 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -72.03 -50.4 28.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.344 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.964 ' HB1' HD11 ' A' ' 87' ' ' ILE . . . -58.08 -60.13 4.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -51.45 -43.36 62.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.249 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.3 m -57.22 -44.84 84.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.326 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.79 -0.18 49.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.576 1.172 . . . . 0.0 110.315 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 55.52 81.7 0.06 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.485 1.115 . . . . 0.0 110.97 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 1.089 HD13 HD21 ' A' ' 109' ' ' LEU . 3.6 mt -40.26 140.24 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.763 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 87' ' ' ILE . 1.6 t -38.09 -30.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 110.348 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.706 ' H ' HG22 ' A' ' 87' ' ' ILE . . . -142.63 58.07 0.55 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.475 1.109 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 83' ' ' GLU . 23.0 t80 -79.41 174.5 11.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 0.793 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.507 ' HB2' ' NE2' ' A' ' 100' ' ' GLN . 0.2 OUTLIER -160.18 115.3 1.45 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.209 0 O-C-N 124.536 1.809 . . . . 0.0 110.992 -179.997 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.845 0 N-CA-C 111.004 -0.422 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.878 HD11 HD22 ' A' ' 109' ' ' LEU . 6.2 tp -42.81 -41.43 3.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 109.345 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.432 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 3.4 ptt180 -46.93 -38.99 11.43 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.467 1.105 . . . . 0.0 110.294 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 70.1 t -73.05 -49.25 40.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.163 . . . . 0.0 109.302 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.507 ' NE2' ' HB2' ' A' ' 91' ' ' ASN . 1.5 tt0 -55.71 -20.33 14.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.254 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -102.54 15.79 28.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 109.287 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -120.88 -2.45 9.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.392 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -92.44 138.14 24.21 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 48.63 2.06 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.501 1.79 . . . . 0.0 111.046 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -140.3 -48.31 0.44 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.493 1.121 . . . . 0.0 110.251 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 -80.96 90.68 5.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -89.87 -29.34 18.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.132 . . . . 0.0 110.276 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -68.19 -58.99 6.69 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 1.089 HD21 HD13 ' A' ' 87' ' ' ILE . 0.5 OUTLIER -65.88 -12.46 54.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 0.777 . . . . 0.0 109.26 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -72.36 -56.78 4.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 110.228 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -46.86 85.8 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 113' ' ' TYR . 0.0 OUTLIER -52.17 -33.99 42.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 110.264 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.491 ' HA ' HD22 ' A' ' 116' ' ' LEU . 3.5 t80 -68.96 -45.31 71.04 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.547 1.154 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -50.22 -43.6 52.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.297 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -77.16 -45.81 25.48 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.446 1.091 . . . . 0.0 110.319 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.912 ' HG ' HD23 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -53.22 -35.48 59.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.274 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 1.012 ' CG ' HD13 ' A' ' 55' ' ' LEU . 32.0 t90 -68.68 -63.77 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 107.964 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.977 HD11 HG11 ' A' ' 45' ' ' VAL . 97.8 mt -45.41 -28.53 0.89 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.113 . . . . 0.0 109.368 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.539 ' HB3' ' O ' ' A' ' 116' ' ' LEU . . . -63.25 -66.36 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.424 ' HB3' ' ND1' ' A' ' 71' ' ' HIS . . . -56.74 -25.2 54.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.639 ' CE1' ' CZ2' ' A' ' 117' ' ' TRP . 0.4 OUTLIER -71.71 -47.93 50.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.555 1.159 . . . . 0.0 111.009 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -80.19 -0.2 35.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 109.253 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -88.89 1.51 55.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.604 1.19 . . . . 0.0 109.23 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.523 HD13 ' CG1' ' A' ' 67' ' ' VAL . 53.8 mt -74.75 156.53 86.52 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.102 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.174 0 O-C-N 124.438 1.757 . . . . 0.0 110.981 -179.977 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 111.045 -0.406 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.59 -24.52 56.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.978 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.591 ' CE3' HD11 ' A' ' 172' ' ' LEU . 43.0 p-90 -76.49 -21.59 55.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 108.005 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.6 -9.01 47.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 57.0 p -125.78 30.35 5.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.96 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.533 HD12 ' HA ' ' A' ' 133' ' ' TRP . 18.0 mt -123.39 120.63 60.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.573 1.171 . . . . 0.0 109.235 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.564 HD23 ' CG ' ' A' ' 176' ' ' ASN . 0.3 OUTLIER -137.17 149.12 47.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 109.242 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 138' ' ' GLN . . . . . 0.608 ' OE1' ' CD2' ' A' ' 144' ' ' TYR . 0.8 OUTLIER -73.67 127.22 32.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -92.28 134.68 12.34 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.465 1.103 . . . . 0.0 110.943 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.472 ' H ' HD23 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -49.51 -42.78 44.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 0.754 . . . . 0.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -100.61 38.8 1.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -128.54 161.26 58.11 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 110.258 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' PRO . . . . . 0.558 ' HB2' ' HB3' ' A' ' 146' ' ' ALA . 18.4 Cg_endo -74.99 104.48 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.562 1.822 . . . . 0.0 111.043 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 144' ' ' TYR . . . . . 0.626 ' O ' HG23 ' A' ' 148' ' ' VAL . 0.5 OUTLIER -55.75 -62.99 1.32 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 111.032 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -45.26 -44.95 11.7 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.57 1.169 . . . . 0.0 109.64 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.558 ' HB3' ' HB2' ' A' ' 143' ' ' PRO . . . -63.32 -50.88 68.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 147' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 138' ' ' GLN . 9.8 t80 -53.38 -38.75 63.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 110.928 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.884 ' CG1' HD21 ' A' ' 195' ' ' LEU . 47.0 t -64.6 -58.46 7.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -48.13 -41.69 27.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 150' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 153' ' ' ILE . 0.4 OUTLIER -68.42 -58.64 4.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.277 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.826 ' O ' HD12 ' A' ' 155' ' ' LEU . 0.2 OUTLIER -39.37 -32.76 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 152' ' ' ASN . . . . . 0.413 ' N ' ' C ' ' A' ' 150' ' ' ARG . 2.5 t30 -72.79 -53.99 10.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 153' ' ' ILE . . . . . 0.436 ' N ' ' O ' ' A' ' 150' ' ' ARG . 4.2 mt -59.74 -64.72 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.345 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -42.18 -37.19 1.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 0.826 HD12 ' O ' ' A' ' 151' ' ' LEU . 4.1 mt -64.2 -65.58 0.66 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -49.06 -23.48 1.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.284 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.39 -25.99 68.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -148.52 43.34 0.81 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.483 1.115 . . . . 0.0 111.029 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.708 HD12 ' HB2' ' A' ' 165' ' ' LYS . 0.4 OUTLIER -126.05 103.67 26.67 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.497 0.763 . . . . 0.0 109.348 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 141.31 26.29 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.483 1.781 . . . . 0.0 110.993 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -50.29 -28.11 7.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.363 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -60.95 -22.82 60.7 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.457 1.098 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 163' ' ' THR . . . . . 0.424 HG23 ' HD2' ' A' ' 164' ' ' PRO . 0.9 OUTLIER -118.71 141.84 30.66 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.513 0.772 . . . . 0.0 110.409 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 164' ' ' PRO . . . . . 0.424 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.6 Cg_endo -74.95 143.8 29.68 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.468 1.773 . . . . 0.0 110.975 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 165' ' ' LYS . . . . . 0.708 ' HB2' HD12 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -117.44 -37.38 3.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 166' ' ' ASP . . . . . 0.51 ' N ' ' CD ' ' A' ' 167' ' ' PRO . 0.3 OUTLIER -41.54 -51.5 8.82 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.345 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 167' ' ' PRO . . . . . 0.51 ' CD ' ' N ' ' A' ' 166' ' ' ASP . 18.3 Cg_endo -75.03 -48.58 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.543 1.812 . . . . 0.0 110.995 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 168' ' ' ILE . . . . . 0.728 HG23 HD12 ' A' ' 172' ' ' LEU . 0.0 OUTLIER -50.52 -33.38 11.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 169' ' ' LEU . . . . . 0.842 ' CD2' HD22 ' A' ' 195' ' ' LEU . 34.5 tp -62.24 -66.51 0.53 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 24.2 ptt85 -54.83 -36.15 64.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.347 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 171' ' ' SER . . . . . 0.4 ' O ' ' OG ' ' A' ' 175' ' ' SER . 0.2 OUTLIER -69.79 -23.65 63.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.999 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.741 ' HB3' HD11 ' A' ' 151' ' ' LEU . 3.9 mt -84.29 -48.91 9.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 173' ' ' ALA . . . . . 0.907 ' O ' ' HB2' ' A' ' 177' ' ' ALA . . . -63.68 -13.14 40.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -103.7 -51.41 3.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 175' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 171' ' ' SER . 93.7 p -66.05 -36.3 82.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.018 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 176' ' ' ASN . . . . . 0.564 ' CG ' HD23 ' A' ' 137' ' ' LEU . 69.5 m-20 -113.15 61.09 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.359 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 177' ' ' ALA . . . . . 0.907 ' HB2' ' O ' ' A' ' 173' ' ' ALA . . . -129.23 138.69 51.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 178' ' ' ASN . . . . . 0.442 ' OD1' ' NE2' ' A' ' 138' ' ' GLN . 2.6 p-10 -52.14 -176.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.35 -55.32 5.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -52.7 -27.84 19.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.162 . . . . 0.0 110.291 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 181' ' ' CYS . . . . . 0.73 ' SG ' ' HB1' ' A' ' 177' ' ' ALA . 9.0 t -77.85 -65.53 0.96 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.55 1.156 . . . . 0.0 108.273 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 182' ' ' GLN . . . . . 0.455 ' O ' ' CG ' ' A' ' 186' ' ' GLN . 0.0 OUTLIER -47.79 -35.3 9.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.101 . . . . 0.0 110.254 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 183' ' ' LYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 187' ' ' ALA . 6.4 ttpt -70.53 -33.55 71.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.373 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.61 HD23 ' HG3' ' A' ' 188' ' ' ARG . 4.2 tt -68.04 -56.42 8.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 185' ' ' LEU . . . . . 0.711 HD23 ' NE2' ' A' ' 190' ' ' HIS . 9.7 mt -53.87 -58.16 8.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 186' ' ' GLN . . . . . 0.942 ' OE1' HG21 ' A' ' 191' ' ' THR . 4.5 mm100 -53.41 -53.41 51.59 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.479 1.112 . . . . 0.0 110.341 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 187' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 183' ' ' LYS . . . -53.04 -46.96 68.7 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.633 1.208 . . . . 0.0 109.309 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 188' ' ' ARG . . . . . 0.61 ' HG3' HD23 ' A' ' 184' ' ' LEU . 0.0 OUTLIER -59.87 -28.12 67.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 110.338 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 71.62 54.41 8.62 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.472 1.107 . . . . 0.0 111.032 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 190' ' ' HIS . . . . . 0.711 ' NE2' HD23 ' A' ' 185' ' ' LEU . 2.2 p80 -153.89 36.0 0.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 0.764 . . . . 0.0 109.584 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 191' ' ' THR . . . . . 0.942 HG21 ' OE1' ' A' ' 186' ' ' GLN . 1.3 p -61.58 -49.98 74.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 110.432 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -83.08 58.41 4.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 193' ' ' SER . . . . . 0.535 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER -136.32 179.99 1.22 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.003 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 194' ' ' PRO . . . . . 0.535 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.1 Cg_endo -75.06 -174.96 2.14 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.494 1.786 . . . . 0.0 110.982 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 195' ' ' LEU . . . . . 0.884 HD21 ' CG1' ' A' ' 148' ' ' VAL . 14.5 tp -79.62 -40.61 28.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.416 1.072 . . . . 0.0 109.373 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -45.68 -43.92 11.83 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.467 1.105 . . . . 0.0 110.988 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 197' ' ' ASP . . . . . 0.493 ' HB3' ' CE1' ' A' ' 190' ' ' HIS . 5.8 t0 -66.38 -32.75 74.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 0.8 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 198' ' ' MET . . . . . 0.584 ' HG3' HD21 ' A' ' 185' ' ' LEU . 42.1 ttm -61.36 -45.52 94.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.96 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 199' ' ' LEU . . . . . 0.599 HD21 HG11 ' A' ' 148' ' ' VAL . 2.7 mm? -67.23 -23.59 65.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.346 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 200' ' ' ARG . . . . . 0.408 ' O ' ' CD ' ' A' ' 203' ' ' GLN . 7.3 mtp180 -84.02 -12.92 54.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.344 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -96.45 -43.21 7.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 202' ' ' CYS . . . . . . . . . . . . . 14.0 p -77.54 -15.56 59.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 108.385 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 203' ' ' GLN . . . . . 0.448 ' HG3' ' N ' ' A' ' 204' ' ' THR . 15.6 pt20 -41.72 -46.65 3.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.266 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 204' ' ' THR . . . . . 0.448 ' N ' ' HG3' ' A' ' 203' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.385 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.433 ' HE3' ' HE1' ' A' ' 48' ' ' PHE . 2.8 ttt . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.502 0.191 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' A' ' 19' ' ' ASP . 4.3 pm0 -81.17 148.26 29.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.9 tpt -46.29 -30.71 2.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 0.0 110.94 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.41 -37.21 82.64 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.567 1.167 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 16' ' ' GLN . 54.4 m-20 -63.14 -54.88 30.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.582 ' HA ' HD12 ' A' ' 23' ' ' ILE . 8.4 mt -56.7 -33.3 66.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -64.66 -53.1 52.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.03 -41.32 87.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.237 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.582 HD12 ' HA ' ' A' ' 20' ' ' LEU . 61.4 mt -56.2 -53.89 34.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.356 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.623 ' HA ' HD21 ' A' ' 62' ' ' LEU . 7.0 ttpp -54.01 -23.24 12.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.593 1.183 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -78.87 -69.96 0.53 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.608 1.193 . . . . 0.0 110.225 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.767 ' CD ' HG23 ' A' ' 40' ' ' THR . 2.7 pt-20 -48.69 -23.17 0.94 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.503 1.127 . . . . 0.0 110.249 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.851 HG23 HG21 ' A' ' 40' ' ' THR . 2.9 t -79.83 -52.83 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.566 1.166 . . . . 0.0 109.352 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.28 -31.18 8.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.956 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -63.11 -45.59 91.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 110.289 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.708 ' HB1' ' HB2' ' A' ' 36' ' ' GLN . . . -53.33 174.76 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.461 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -95.93 162.73 23.02 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.461 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.0 Cg_endo -75.05 81.54 2.2 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.488 1.783 . . . . 0.0 110.934 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 106.93 61.47 0.58 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.545 1.153 . . . . 0.0 110.967 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.69 161.09 51.17 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.403 0.708 . . . . 0.0 110.037 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 48.19 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.563 1.823 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.708 ' HB2' ' HB1' ' A' ' 30' ' ' ALA . 63.2 mm-40 -121.58 -64.77 1.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.754 ' HE1' HD13 ' A' ' 62' ' ' LEU . 2.6 t80 -47.85 -48.72 30.82 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.507 1.13 . . . . 0.0 110.934 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 10.6 tpt -55.1 -48.44 73.57 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.437 1.085 . . . . 0.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -55.06 -45.5 75.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 110.272 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.851 HG21 HG23 ' A' ' 27' ' ' VAL . 1.2 m -54.02 -32.29 53.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.361 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.776 HG22 HD21 ' A' ' 118' ' ' LEU . 3.1 mm -66.53 -56.18 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.431 ' CD ' HD13 ' A' ' 118' ' ' LEU . 0.1 OUTLIER -55.76 -34.85 65.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.327 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.22 -51.58 67.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.402 1.063 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.88 -36.57 83.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.458 HG22 ' HD2' ' A' ' 50' ' ' PRO . 1.4 t -67.85 -30.87 49.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -88.64 -6.64 57.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -84.4 -74.73 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.322 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.433 ' HE1' ' HE3' ' A' ' 15' ' ' MET . 1.2 p90 -114.94 -18.95 11.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 68.85 97.87 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.42 1.075 . . . . 0.0 109.395 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.458 ' HD2' HG22 ' A' ' 45' ' ' VAL . 18.2 Cg_endo -74.97 123.66 8.06 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.499 1.789 . . . . 0.0 111.014 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 42.3 p -55.27 -169.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.396 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.42 -44.64 74.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.431 ' HD3' ' N ' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -60.21 -40.91 91.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.353 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.431 ' N ' ' HD3' ' A' ' 53' ' ' LYS . 87.0 m-20 -65.22 -36.43 84.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.354 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 1.106 HD13 ' CG ' ' A' ' 117' ' ' TRP . 22.1 mt -69.43 -46.32 67.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -51.25 -50.35 59.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.589 1.18 . . . . 0.0 110.339 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.418 ' C ' ' N ' ' A' ' 59' ' ' LEU . 0.3 OUTLIER -70.56 -55.18 9.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.446 HD13 HD23 ' A' ' 20' ' ' LEU . 20.1 tp -45.42 -26.04 0.5 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.42 HD11 ' HA ' ' A' ' 68' ' ' ALA . 30.6 tp -75.89 -53.04 9.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -87.58 22.36 2.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 110.32 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.501 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 28.1 t80 -120.58 -34.97 3.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 110.986 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.754 HD13 ' HE1' ' A' ' 37' ' ' PHE . 2.1 mt -95.45 -63.16 1.19 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.333 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.498 ' SG ' HG12 ' A' ' 67' ' ' VAL . 16.5 p -86.46 170.75 11.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.564 1.165 . . . . 0.0 108.355 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.5 m -81.54 -177.94 6.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.018 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 32.7 t -66.54 -37.7 85.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 110.017 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.46 ' C ' HD12 ' A' ' 66' ' ' LEU . 1.6 tp -51.62 -68.18 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.511 ' HA ' HD12 ' A' ' 70' ' ' LEU . 2.4 t -52.05 -52.33 24.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.4 1.063 . . . . 0.0 109.281 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.42 ' HA ' HD11 ' A' ' 59' ' ' LEU . . . -44.32 -41.41 6.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.3 t -71.01 -41.33 71.04 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.461 1.1 . . . . 0.0 109.947 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 67' ' ' VAL . 52.6 mt -58.39 -50.03 75.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.229 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.591 ' CD2' ' HB3' ' A' ' 120' ' ' ALA . 0.4 OUTLIER -61.59 -42.83 99.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.598 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.31 -23.85 25.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.56 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -80.02 -71.23 0.47 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.352 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.796 ' OE1' ' HB3' ' A' ' 123' ' ' ALA . 1.7 pt20 -49.03 -41.09 33.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.337 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.567 HD23 ' HB2' ' A' ' 120' ' ' ALA . 1.3 tm? -62.89 -52.15 64.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -44.93 -35.54 2.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.16 . . . . 0.0 109.317 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.7 t -66.49 -45.32 80.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 110.024 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.732 ' HB3' HD12 ' A' ' 116' ' ' LEU . 11.0 mp -49.91 -51.77 38.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.684 HD12 HD11 ' A' ' 116' ' ' LEU . 1.2 mp -52.2 -54.76 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.086 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.408 ' O ' ' CB ' ' A' ' 84' ' ' THR . 0.2 OUTLIER -41.6 -31.9 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.0 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -76.61 -46.42 26.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.291 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.888 ' HB1' HG12 ' A' ' 87' ' ' ILE . . . -62.24 -66.05 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -46.07 -38.28 7.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.337 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.408 ' CB ' ' O ' ' A' ' 80' ' ' SER . 1.4 m -62.55 -48.72 78.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.431 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.94 -3.9 28.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 84.02 -11.75 56.23 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.502 1.126 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.888 HG12 ' HB1' ' A' ' 82' ' ' ALA . 66.1 mt 63.9 157.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.552 0.795 . . . . 0.0 109.256 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.2 t -42.32 -47.93 4.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 110.372 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -169.97 53.73 0.2 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.432 1.082 . . . . 0.0 111.034 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.637 ' CG ' HD12 ' A' ' 87' ' ' ILE . 30.4 t80 -78.42 154.43 30.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 0.786 . . . . 0.0 110.982 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -112.87 95.53 34.09 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.165 0 O-C-N 124.492 1.786 . . . . 0.0 111.012 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.473 ' HB2' ' CG2' ' A' ' 99' ' ' VAL . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.883 0 N-CA-C 110.982 -0.43 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.476 ' CD2' HG12 ' A' ' 79' ' ' ILE . 47.6 tp -120.04 -52.46 2.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.248 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.96 -25.18 27.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.221 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.473 ' CG2' ' HB2' ' A' ' 96' ' ' PRO . 84.0 t -65.83 -43.66 93.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.425 ' HA ' ' ND2' ' A' ' 103' ' ' ASN . 23.5 mp0 -74.99 -9.98 59.04 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.494 1.121 . . . . 0.0 110.351 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -114.89 15.21 17.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 56.3 m-20 -121.83 -0.75 9.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.449 1.093 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.425 ' ND2' ' HA ' ' A' ' 100' ' ' GLN . 10.8 p30 -105.23 124.22 37.19 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.358 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 48.92 2.11 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.437 1.756 . . . . 0.0 110.961 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -121.78 -56.71 1.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -98.11 95.83 7.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 110.358 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -75.2 -7.68 54.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.257 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -59.95 -57.97 16.58 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.53 1.144 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.3 mt -81.19 -31.58 33.92 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 0.767 . . . . 0.0 109.338 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.2 ttp85 -56.42 -50.6 71.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -70.37 -44.15 68.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 110.277 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -54.29 -44.83 72.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.236 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.455 ' CD1' HD12 ' A' ' 55' ' ' LEU . 7.4 t80 -61.78 -43.64 98.45 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.563 1.165 . . . . 0.0 111.039 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.56 -44.37 62.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.271 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 118' ' ' LEU . 0.8 OUTLIER -78.01 -62.59 1.62 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 0.0 110.36 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.732 HD12 ' HB3' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -40.4 -33.5 0.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.366 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 1.106 ' CG ' HD13 ' A' ' 55' ' ' LEU . 65.7 t90 -72.31 -55.58 6.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 107.975 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.776 HD21 HG22 ' A' ' 41' ' ' ILE . 52.6 mt -51.0 -31.92 19.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.406 1.066 . . . . 0.0 109.238 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.69 -60.87 3.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.243 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.591 ' HB3' ' CD2' ' A' ' 71' ' ' HIS . . . -56.52 -29.37 61.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -76.58 -18.3 58.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.153 . . . . 0.0 111.088 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -109.14 3.95 22.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.28 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.796 ' HB3' ' OE1' ' A' ' 74' ' ' GLN . . . -95.8 -1.87 48.76 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.258 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 83.6 mt -69.02 147.72 97.75 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.368 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.195 0 O-C-N 124.467 1.772 . . . . 0.0 111.006 -179.956 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 131' ' ' PRO . . . . . 0.605 ' HG2' ' HB2' ' A' ' 134' ' ' ALA . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.902 0 N-CA-C 111.012 -0.418 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.41 -32.18 64.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.976 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.767 ' HA ' HD12 ' A' ' 136' ' ' ILE . 18.1 p-90 -74.63 -10.58 59.68 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.605 ' HB2' ' HG2' ' A' ' 131' ' ' PRO . . . -66.18 -11.06 47.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 109.238 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 26.4 t -133.59 33.51 3.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.005 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.767 HD12 ' HA ' ' A' ' 133' ' ' TRP . 60.7 mt -118.42 118.17 57.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.573 1.171 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.23 166.28 23.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' GLN . . . . . 0.548 ' HG3' ' CD1' ' A' ' 144' ' ' TYR . 10.7 tm0? -87.8 113.27 23.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -70.46 154.13 52.21 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.557 HD21 ' HB2' ' A' ' 180' ' ' GLU . 2.0 tm? -61.82 -39.48 91.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 0.763 . . . . 0.0 109.355 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -112.02 40.19 2.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 110.283 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -125.29 158.04 65.36 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.32 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 143' ' ' PRO . . . . . 0.4 ' HB2' ' HB3' ' A' ' 146' ' ' ALA . 18.1 Cg_endo -75.1 96.19 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.502 1.79 . . . . 0.0 110.972 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 144' ' ' TYR . . . . . 0.959 ' O ' HG23 ' A' ' 148' ' ' VAL . 4.1 t80 -60.63 -44.39 96.41 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.444 1.09 . . . . 0.0 111.002 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 145' ' ' HIS . . . . . 0.494 ' HA ' ' CD1' ' A' ' 199' ' ' LEU . 0.0 OUTLIER -55.08 -57.82 10.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 109.501 -179.915 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.4 ' HB3' ' HB2' ' A' ' 143' ' ' PRO . . . -56.01 -47.42 77.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.58 -43.56 62.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 111.062 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.959 HG23 ' O ' ' A' ' 144' ' ' TYR . 47.8 t -57.25 -44.31 83.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.616 1.197 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -56.79 -58.34 8.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.327 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.88 -47.87 79.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.36 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.602 ' O ' HD12 ' A' ' 155' ' ' LEU . 1.1 mt -43.71 -42.31 5.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -63.63 -47.98 79.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 4.4 mt -62.64 -69.36 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.446 1.091 . . . . 0.0 109.335 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -41.31 -31.71 0.25 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 0.602 HD12 ' O ' ' A' ' 151' ' ' LEU . 7.1 mt -69.69 -60.77 2.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -50.15 -22.65 1.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -75.07 -29.81 60.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 158' ' ' GLY . . . . . 0.591 ' O ' HD22 ' A' ' 159' ' ' LEU . . . -129.76 41.09 1.59 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.538 1.148 . . . . 0.0 111.05 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.591 HD22 ' O ' ' A' ' 158' ' ' GLY . 0.6 OUTLIER -133.49 119.73 15.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.428 0.722 . . . . 0.0 109.295 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -170.38 0.77 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.593 1.838 . . . . 0.0 111.059 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -91.0 -30.45 16.8 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.459 1.099 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -99.15 48.92 1.26 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.536 1.147 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 163' ' ' THR . . . . . 0.496 HG23 ' HD2' ' A' ' 164' ' ' PRO . 1.3 m -149.23 140.23 14.05 Favored Pre-proline 0 C--N 1.324 -0.541 0 O-C-N 124.489 0.758 . . . . 0.0 110.427 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 164' ' ' PRO . . . . . 0.496 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.2 Cg_endo -75.04 131.69 14.53 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 165' ' ' LYS . . . . . 0.585 ' HB2' HD12 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -120.67 -39.97 2.7 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.575 1.172 . . . . 0.0 109.326 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 166' ' ' ASP . . . . . 0.52 ' CB ' ' HD3' ' A' ' 167' ' ' PRO . 0.4 OUTLIER -40.99 -53.64 6.07 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.259 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 167' ' ' PRO . . . . . 0.52 ' HD3' ' CB ' ' A' ' 166' ' ' ASP . 18.2 Cg_endo -74.97 -45.9 0.26 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.584 1.833 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 168' ' ' ILE . . . . . 0.485 HG22 ' N ' ' A' ' 169' ' ' LEU . 0.0 OUTLIER -49.61 -52.83 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 169' ' ' LEU . . . . . 0.485 ' N ' HG22 ' A' ' 168' ' ' ILE . 47.9 tp -52.36 -54.24 34.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 170' ' ' ARG . . . . . 0.49 ' HG3' HD13 ' A' ' 195' ' ' LEU . 0.6 OUTLIER -61.96 -14.62 36.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.3 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 171' ' ' SER . . . . . 0.52 ' O ' ' CB ' ' A' ' 175' ' ' SER . 0.3 OUTLIER -83.46 -35.24 25.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.58 1.175 . . . . 0.0 110.013 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.575 HD21 ' CE3' ' A' ' 133' ' ' TRP . 1.5 mt -84.51 -16.02 43.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 173' ' ' ALA . . . . . 0.539 ' O ' ' HB2' ' A' ' 177' ' ' ALA . . . -94.22 -29.35 15.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 174' ' ' TYR . . . . . 0.732 ' CD2' HD13 ' A' ' 185' ' ' LEU . 12.0 t80 -110.54 -64.49 1.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.986 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 175' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 171' ' ' SER . 0.1 OUTLIER -52.7 -20.74 3.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 110.029 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -126.06 60.59 1.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 177' ' ' ALA . . . . . 0.539 ' HB2' ' O ' ' A' ' 173' ' ' ALA . . . -132.53 143.14 49.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 178' ' ' ASN . . . . . 0.516 ' OD1' HD23 ' A' ' 140' ' ' LEU . 0.3 OUTLIER -54.15 -172.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.087 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -72.82 -68.52 0.48 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 180' ' ' GLU . . . . . 0.557 ' HB2' HD21 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -43.09 -34.91 1.15 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.338 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 181' ' ' CYS . . . . . 0.471 ' SG ' ' HB1' ' A' ' 177' ' ' ALA . 15.6 t -65.92 -67.03 0.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 108.328 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -53.28 -41.34 65.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.338 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.69 -37.13 85.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.252 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.697 ' C ' HD23 ' A' ' 184' ' ' LEU . 3.6 tt -61.09 -60.86 3.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.59 1.181 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 185' ' ' LEU . . . . . 0.732 HD13 ' CD2' ' A' ' 174' ' ' TYR . 6.5 mt -42.79 -42.2 3.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 186' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.37 -59.55 3.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.273 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -50.2 -39.5 44.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 188' ' ' ARG . . . . . 0.425 ' NH1' ' HA ' ' A' ' 188' ' ' ARG . 0.0 OUTLIER -54.46 -53.66 51.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.219 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 114.12 34.33 1.66 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.498 1.123 . . . . 0.0 110.984 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 190' ' ' HIS . . . . . 0.488 ' O ' ' ND1' ' A' ' 190' ' ' HIS . 0.0 OUTLIER -167.54 118.3 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 0.798 . . . . 0.0 109.56 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 1.9 p -120.97 -52.04 2.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 110.386 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -88.6 45.94 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 193' ' ' SER . . . . . 0.514 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER -109.44 178.93 0.92 Allowed Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.46 1.1 . . . . 0.0 110.03 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 194' ' ' PRO . . . . . 0.514 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.1 Cg_endo -75.06 154.75 42.43 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.581 1.832 . . . . 0.0 110.935 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 195' ' ' LEU . . . . . 0.49 HD13 ' HG3' ' A' ' 170' ' ' ARG . 3.3 tp -50.58 -48.3 57.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.538 1.149 . . . . 0.0 109.357 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -43.51 -35.81 3.02 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.525 1.141 . . . . 0.0 111.021 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.19 -38.44 27.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 0.79 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 198' ' ' MET . . . . . 0.556 ' SD ' HD21 ' A' ' 185' ' ' LEU . 17.1 mmm -61.22 -39.17 89.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 110.96 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 199' ' ' LEU . . . . . 0.849 HD21 HG11 ' A' ' 148' ' ' VAL . 3.5 mm? -75.28 -30.14 60.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.404 1.065 . . . . 0.0 109.352 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 33.8 ttm180 -79.77 -6.54 57.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -95.99 -33.77 12.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.137 . . . . 0.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 202' ' ' CYS . . . . . . . . . . . . . 29.7 p -90.76 -16.78 27.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.165 . . . . 0.0 108.323 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -48.42 -23.19 0.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.427 1.079 . . . . 0.0 110.325 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.457 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.59 ' HE3' HD23 ' A' ' 20' ' ' LEU . 1.8 tpt . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.514 0.197 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -96.01 170.37 9.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 110.33 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.8 tpt -54.12 -39.32 66.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 111.014 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.7 ttpt -59.34 -45.35 91.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -57.18 -55.94 28.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.772 ' HA ' HD12 ' A' ' 23' ' ' ILE . 26.0 mt -51.67 -40.12 59.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.245 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -60.99 -54.92 39.05 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.47 1.106 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.34 -39.83 64.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.772 HD12 ' HA ' ' A' ' 20' ' ' LEU . 66.9 mt -57.37 -62.46 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.4 tttm -42.07 -32.33 0.45 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -72.38 -72.3 0.24 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 110.327 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.641 ' HG3' HG21 ' A' ' 40' ' ' THR . 8.8 pt-20 -45.5 -25.62 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 110.325 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.1 t -76.82 -46.86 29.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.575 1.172 . . . . 0.0 109.334 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.5 t -46.86 -39.75 12.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.933 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -59.66 -38.39 81.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.472 ' CB ' ' HB3' ' A' ' 36' ' ' GLN . . . -68.96 177.37 2.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.436 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -129.22 162.04 54.8 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.436 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.3 Cg_endo -75.06 63.27 6.03 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.452 1.764 . . . . 0.0 110.97 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 162.87 -33.04 0.3 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.17 142.23 92.54 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.464 0.743 . . . . 0.0 110.005 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 50.96 2.67 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.497 1.788 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.472 ' HB3' ' CB ' ' A' ' 30' ' ' ALA . 13.2 tp60 -120.89 -38.91 2.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.52 ' CE1' HD11 ' A' ' 41' ' ' ILE . 2.7 t80 -64.47 -64.72 0.81 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.449 1.093 . . . . 0.0 110.973 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 10.1 tpt -49.13 -46.4 44.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.102 . . . . 0.0 110.993 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -52.15 -43.71 64.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.108 . . . . 0.0 110.295 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.641 HG21 ' HG3' ' A' ' 26' ' ' GLU . 1.2 m -61.6 -27.17 68.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.357 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.697 HG22 HD21 ' A' ' 118' ' ' LEU . 5.7 mm -74.77 -33.07 29.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.533 ' HD2' HD13 ' A' ' 118' ' ' LEU . 17.9 mmm-85 -79.23 -25.3 42.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.375 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.25 -38.62 35.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.426 1.079 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.81 -41.04 79.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.426 1.079 . . . . 0.0 109.314 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.573 HG11 HD11 ' A' ' 118' ' ' LEU . 0.5 OUTLIER -68.86 -33.59 60.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.425 1.078 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -89.04 -0.45 57.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.592 1.183 . . . . 0.0 110.312 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -89.87 -70.33 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 0.0 110.334 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.579 ' CE1' ' SD ' ' A' ' 15' ' ' MET . 3.9 p90 -114.52 -23.8 9.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.603 1.189 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 72.61 93.21 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.402 ' HB2' ' CB ' ' A' ' 54' ' ' ASP . 18.4 Cg_endo -75.03 131.11 13.89 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.533 1.807 . . . . 0.0 111.048 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.444 ' N ' ' OD2' ' A' ' 54' ' ' ASP . 7.2 p -57.32 -168.23 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 110.48 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.01 -47.46 51.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.419 ' HG2' ' N ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -61.53 -31.38 71.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.113 . . . . 0.0 109.252 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.444 ' OD2' ' N ' ' A' ' 51' ' ' THR . 93.8 m-20 -66.96 -41.77 86.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 1.007 HD13 ' CG ' ' A' ' 117' ' ' TRP . 37.4 mt -61.65 -40.72 95.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.37 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.413 ' HG3' ' N ' ' A' ' 57' ' ' ASP . 0.1 OUTLIER -57.23 -53.19 60.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.413 ' N ' ' HG3' ' A' ' 56' ' ' GLN . 66.6 t0 -64.51 -38.49 91.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.485 ' HB2' HD21 ' A' ' 20' ' ' LEU . 16.4 tp -64.57 -24.39 67.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.255 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.507 HD12 ' HB2' ' A' ' 63' ' ' CYS . 19.8 tp -70.98 -54.45 11.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.224 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -6.92 32.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 110.305 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -81.5 -54.21 5.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.972 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.8 mt -106.83 -61.56 1.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.507 ' HB2' HD12 ' A' ' 59' ' ' LEU . 4.0 m -52.23 117.0 2.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 108.28 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.43 ' O ' ' CB ' ' A' ' 68' ' ' ALA . 0.5 OUTLIER -57.46 -179.82 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 110.003 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.46 -50.96 67.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 109.995 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.598 HD11 HD11 ' A' ' 70' ' ' LEU . 3.7 tp -64.74 -55.89 17.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.561 HG13 HD13 ' A' ' 124' ' ' LEU . 2.4 t -51.57 -47.32 37.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 64' ' ' SER . . . -54.46 -39.59 67.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.352 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.0 m -63.16 -60.33 3.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.998 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.598 HD11 HD11 ' A' ' 66' ' ' LEU . 6.6 mt -51.08 -43.04 60.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.596 1.185 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.738 ' CE1' ' HB3' ' A' ' 120' ' ' ALA . 8.7 t-80 -60.49 -39.0 86.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.614 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -25.28 68.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.552 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -74.41 -54.68 7.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.271 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.493 ' O ' HD13 ' A' ' 78' ' ' LEU . 2.9 mt-30 -53.72 -22.38 9.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.427 1.08 . . . . 0.0 110.27 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.981 ' CD1' HD21 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -82.09 -60.28 2.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.376 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -40.51 -37.08 0.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.02 -45.53 26.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.008 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.703 ' HB3' HD12 ' A' ' 116' ' ' LEU . 1.3 mp -56.37 -59.91 4.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.363 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.588 HG12 HD22 ' A' ' 97' ' ' LEU . 1.4 mt -48.26 -50.58 11.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.415 1.072 . . . . 0.0 109.33 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.421 ' HA ' ' CG ' ' A' ' 83' ' ' GLU . 3.9 t -46.75 -32.14 3.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.96 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -69.55 -42.68 74.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.439 1.087 . . . . 0.0 110.271 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.905 ' HB1' HG12 ' A' ' 87' ' ' ILE . . . -67.0 -64.65 0.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.264 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.421 ' CG ' ' HA ' ' A' ' 80' ' ' SER . 0.0 OUTLIER -48.3 -27.37 2.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.341 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.2 m -69.39 -40.96 77.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.429 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -83.45 0.1 47.75 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.5 1.125 . . . . 0.0 110.267 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 84.58 -8.15 70.05 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.905 HG12 ' HB1' ' A' ' 82' ' ' ALA . 84.7 mt 60.14 152.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 109.34 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.725 HG23 ' H ' ' A' ' 89' ' ' GLY . 0.0 OUTLIER -43.1 -65.96 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.373 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.725 ' H ' HG23 ' A' ' 88' ' ' THR . . . -146.25 57.46 0.51 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.497 ' CE1' HD12 ' A' ' 97' ' ' LEU . 58.2 t80 -79.35 158.91 27.35 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.505 0.768 . . . . 0.0 111.027 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -113.72 93.91 30.58 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.26 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.419 ' HA ' ' CE2' ' A' ' 90' ' ' TYR . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.121 0 O-C-N 124.563 1.823 . . . . 0.0 110.963 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.492 ' HB2' ' CG2' ' A' ' 99' ' ' VAL . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.851 0 N-CA-C 110.978 -0.432 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.588 HD22 HG12 ' A' ' 79' ' ' ILE . 2.5 tp -121.04 -50.29 2.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -22.62 66.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.143 . . . . 0.0 110.335 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.492 ' CG2' ' HB2' ' A' ' 96' ' ' PRO . 61.4 t -69.87 -58.62 5.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.474 ' OE1' ' CD1' ' A' ' 90' ' ' TYR . 7.5 pt20 -70.17 -21.84 63.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.259 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -75.85 -4.41 40.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -97.55 -1.54 43.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.389 1.055 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.417 ' OD1' ' N ' ' A' ' 103' ' ' ASN . 0.7 OUTLIER -94.67 142.55 24.89 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -28.46 9.11 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.471 1.774 . . . . 0.0 111.022 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -50.72 -49.14 58.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.581 1.176 . . . . 0.0 110.316 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.4 ' O ' ' OE1' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -94.03 40.2 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 110.284 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -47.76 -23.71 0.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.332 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.04 -58.13 13.06 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.894 HD11 HG21 ' A' ' 87' ' ' ILE . 0.5 OUTLIER -58.55 -43.88 89.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 0.748 . . . . 0.0 109.335 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -45.34 -43.93 11.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.452 ' O ' ' CG ' ' A' ' 114' ' ' GLN . 0.5 OUTLIER -65.46 -52.58 52.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 110.379 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -45.22 -31.15 1.4 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.451 ' CD1' HD12 ' A' ' 55' ' ' LEU . 1.1 t80 -74.52 -41.46 60.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.494 ' HG3' ' N ' ' A' ' 115' ' ' GLN . 0.9 OUTLIER -61.04 -24.6 66.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.494 ' N ' ' HG3' ' A' ' 114' ' ' GLN . 0.0 OUTLIER -90.06 -59.05 2.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.354 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 1.037 HD23 ' N ' ' A' ' 117' ' ' TRP . 0.0 OUTLIER -52.08 -32.58 35.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.596 1.185 . . . . 0.0 109.318 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 1.037 ' N ' HD23 ' A' ' 116' ' ' LEU . 73.8 t90 -73.34 -66.67 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 108.05 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.697 HD21 HG22 ' A' ' 41' ' ' ILE . 21.0 mt -42.51 -34.5 0.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.59 -63.93 1.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.738 ' HB3' ' CE1' ' A' ' 71' ' ' HIS . . . -55.11 -24.89 28.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.713 ' CE2' ' CH2' ' A' ' 117' ' ' TRP . 2.1 t80 -75.13 -19.5 59.87 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -112.36 3.29 16.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.226 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -92.03 -3.33 55.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.561 HD13 HG13 ' A' ' 67' ' ' VAL . 76.6 mt -72.94 152.74 90.98 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.19 0 O-C-N 124.43 1.753 . . . . 0.0 111.0 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 131' ' ' PRO . . . . . 0.829 ' HG2' ' HB2' ' A' ' 134' ' ' ALA . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.914 0 N-CA-C 110.998 -0.424 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.74 -23.01 56.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.036 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.615 ' HA ' HD12 ' A' ' 136' ' ' ILE . 38.2 p-90 -76.38 -20.93 56.68 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.559 1.162 . . . . 0.0 107.993 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.829 ' HB2' ' HG2' ' A' ' 131' ' ' PRO . . . -68.28 -9.21 45.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.385 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.36 27.4 8.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 0.0 109.956 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.615 HD12 ' HA ' ' A' ' 133' ' ' TRP . 5.3 mt -121.73 120.67 62.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 109.255 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.547 HD23 ' CB ' ' A' ' 176' ' ' ASN . 0.8 OUTLIER -135.77 165.9 24.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 109.363 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 138' ' ' GLN . . . . . 0.417 ' OE1' ' CB ' ' A' ' 181' ' ' CYS . 1.5 tt0 -104.07 114.21 28.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.319 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -72.44 166.96 53.71 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.449 1.093 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.743 HD13 ' O ' ' A' ' 140' ' ' LEU . 1.7 tm? -62.48 -40.82 97.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 0.75 . . . . 0.0 109.326 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -109.81 39.96 2.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -115.02 150.51 44.33 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 110.358 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' PRO . . . . . 0.622 ' HB2' ' HB3' ' A' ' 146' ' ' ALA . 18.4 Cg_endo -75.02 92.76 0.97 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.568 1.825 . . . . 0.0 111.024 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 144' ' ' TYR . . . . . 0.648 ' O ' HG23 ' A' ' 148' ' ' VAL . 15.3 t80 -57.66 -54.64 44.63 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.409 1.068 . . . . 0.0 110.986 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -48.3 -49.55 33.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.603 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.622 ' HB3' ' HB2' ' A' ' 143' ' ' PRO . . . -65.11 -36.41 84.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 147' ' ' PHE . . . . . 0.406 ' CZ ' ' O ' ' A' ' 137' ' ' LEU . 0.1 OUTLIER -67.66 -41.86 83.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.73 HG11 HD21 ' A' ' 199' ' ' LEU . 91.5 t -55.55 -45.75 78.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.362 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.09 -56.77 17.51 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 150' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 153' ' ' ILE . 1.0 OUTLIER -55.89 -56.37 21.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.265 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.821 ' O ' HD12 ' A' ' 155' ' ' LEU . 0.3 OUTLIER -39.87 -36.86 0.49 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.42 1.075 . . . . 0.0 109.338 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 152' ' ' ASN . . . . . 0.493 ' OD1' HD22 ' A' ' 169' ' ' LEU . 1.7 t30 -65.88 -52.46 49.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 153' ' ' ILE . . . . . 0.442 ' N ' ' O ' ' A' ' 150' ' ' ARG . 3.2 mt -64.4 -66.88 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 O-C-N 124.593 1.183 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 154' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 153' ' ' ILE . . . -38.47 -31.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 0.821 HD12 ' O ' ' A' ' 151' ' ' LEU . 1.8 mt -68.22 -61.81 1.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.408 1.068 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -50.96 -22.23 2.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.343 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -67.12 -24.37 65.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.595 1.184 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -145.41 39.08 1.19 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.476 1.11 . . . . 0.0 110.944 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.708 HD12 ' HB2' ' A' ' 165' ' ' LYS . 0.5 OUTLIER -123.48 109.95 30.57 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.52 0.776 . . . . 0.0 109.31 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 147.94 34.48 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.502 1.79 . . . . 0.0 111.021 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -12.84 24.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.355 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -81.24 -8.34 87.36 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.472 1.108 . . . . 0.0 110.959 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 163' ' ' THR . . . . . 0.516 HG23 ' HD2' ' A' ' 164' ' ' PRO . 1.2 m -129.23 141.42 41.74 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.468 0.746 . . . . 0.0 110.343 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 164' ' ' PRO . . . . . 0.516 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.1 Cg_endo -75.01 138.02 22.47 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.496 1.787 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 165' ' ' LYS . . . . . 0.708 ' HB2' HD12 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -113.04 -32.37 6.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 166' ' ' ASP . . . . . 0.52 ' N ' ' CD ' ' A' ' 167' ' ' PRO . 0.4 OUTLIER -43.74 -51.21 17.15 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 167' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 166' ' ' ASP . 18.2 Cg_endo -75.01 -54.45 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.446 1.761 . . . . 0.0 110.986 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 168' ' ' ILE . . . . . 0.759 HG23 HD12 ' A' ' 172' ' ' LEU . 0.0 OUTLIER -41.41 -34.67 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 169' ' ' LEU . . . . . 0.493 HD22 ' OD1' ' A' ' 152' ' ' ASN . 15.8 tp -62.25 -65.17 0.73 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.155 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 170' ' ' ARG . . . . . 0.591 ' HG3' HD13 ' A' ' 195' ' ' LEU . 5.6 mtp180 -55.09 -33.15 62.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.324 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 171' ' ' SER . . . . . 0.421 ' O ' ' CB ' ' A' ' 175' ' ' SER . 0.1 OUTLIER -74.8 -19.66 60.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.034 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.759 HD12 HG23 ' A' ' 168' ' ' ILE . 3.1 mt -87.8 -68.58 0.75 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.463 1.102 . . . . 0.0 109.354 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 173' ' ' ALA . . . . . 0.965 ' O ' ' HB2' ' A' ' 177' ' ' ALA . . . -42.71 -32.99 0.65 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -81.5 -59.43 2.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.598 1.186 . . . . 0.0 110.981 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 175' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 171' ' ' SER . 36.8 m -50.42 -22.32 1.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.977 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 176' ' ' ASN . . . . . 0.547 ' CB ' HD23 ' A' ' 137' ' ' LEU . 25.4 p30 -133.51 56.46 1.85 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 177' ' ' ALA . . . . . 0.965 ' HB2' ' O ' ' A' ' 173' ' ' ALA . . . -114.07 61.43 0.66 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 178' ' ' ASN . . . . . 0.511 ' OD1' ' CD2' ' A' ' 140' ' ' LEU . 1.5 t-20 39.3 -158.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.8 -15.4 14.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 0.0 109.362 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 180' ' ' GLU . . . . . 0.413 ' HB2' ' CD2' ' A' ' 140' ' ' LEU . 0.1 OUTLIER -96.04 -41.43 8.75 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.509 1.13 . . . . 0.0 110.347 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 181' ' ' CYS . . . . . 0.537 ' SG ' ' HB1' ' A' ' 177' ' ' ALA . 29.2 t -64.66 -55.62 18.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.392 1.058 . . . . 0.0 108.295 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -49.99 -41.79 47.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.277 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 2.9 tmmm? -64.73 -53.13 51.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.82 HD23 ' O ' ' A' ' 184' ' ' LEU . 4.3 tt -44.49 -38.72 4.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.351 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 3.0 mt -61.51 -63.79 1.16 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.542 1.151 . . . . 0.0 109.34 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 186' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.7 -51.78 46.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 110.311 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -57.99 -47.13 83.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 188' ' ' ARG . . . . . 0.408 ' HD2' ' HB1' ' A' ' 201' ' ' ALA . 1.3 tpm_? -51.24 -39.8 57.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.4 1.062 . . . . 0.0 110.267 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 100.97 48.17 1.5 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 190' ' ' HIS . . . . . 0.575 ' CE1' ' HB3' ' A' ' 197' ' ' ASP . 0.0 OUTLIER -179.52 114.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 0.739 . . . . 0.0 109.542 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 1.2 p -121.23 -50.26 2.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.427 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 192' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 193' ' ' SER . 0.7 OUTLIER -72.98 -21.75 60.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.356 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 193' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 192' ' ' ASN . 0.1 OUTLIER -42.74 165.15 0.11 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.929 -179.884 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 163.98 34.13 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.492 1.785 . . . . 0.0 110.918 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 195' ' ' LEU . . . . . 0.891 HD12 ' SD ' ' A' ' 198' ' ' MET . 1.9 tp -51.02 -44.61 61.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -42.53 -41.63 4.25 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 197' ' ' ASP . . . . . 0.575 ' HB3' ' CE1' ' A' ' 190' ' ' HIS . 0.3 OUTLIER -78.25 -41.25 34.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 0.741 . . . . 0.0 109.398 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 198' ' ' MET . . . . . 0.891 ' SD ' HD12 ' A' ' 195' ' ' LEU . 75.1 mtp -52.99 -51.57 61.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 199' ' ' LEU . . . . . 0.73 HD21 HG11 ' A' ' 148' ' ' VAL . 2.1 mm? -66.07 -32.23 73.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.94 -9.04 58.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 201' ' ' ALA . . . . . 0.408 ' HB1' ' HD2' ' A' ' 188' ' ' ARG . . . -99.82 -43.77 6.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.112 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 202' ' ' CYS . . . . . . . . . . . . . 12.5 p -78.06 -9.52 59.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 108.277 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 203' ' ' GLN . . . . . 0.431 ' HG3' ' N ' ' A' ' 204' ' ' THR . 15.0 pt20 -53.03 -44.94 67.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.468 1.105 . . . . 0.0 110.27 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 204' ' ' THR . . . . . 0.431 ' N ' ' HG3' ' A' ' 203' ' ' GLN . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.55 1.156 . . . . 0.0 110.431 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.596 ' SD ' ' CZ ' ' A' ' 48' ' ' PHE . 1.2 tpt . . . . . 0 N--CA 1.451 -0.381 0 CA-C-O 120.59 0.234 . . . . 0.0 111.055 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.7 pm0 -96.56 166.45 11.67 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.385 1.053 . . . . 0.0 110.281 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.408 ' O ' ' N ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -48.15 -40.02 22.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.969 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.8 ttpt -50.93 -48.04 60.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.25 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.437 ' OD2' ' CE2' ' A' ' 48' ' ' PHE . 4.5 m-20 -60.17 -57.13 14.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.666 ' HA ' HD12 ' A' ' 23' ' ' ILE . 11.3 mt -55.98 -25.55 44.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.313 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 17' ' ' MET . 0.3 OUTLIER -74.47 -54.59 7.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.421 1.076 . . . . 0.0 110.258 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.03 -36.58 70.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.255 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.707 HG22 HD11 ' A' ' 62' ' ' LEU . 43.0 mt -60.87 -47.63 92.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.8 ttpp -54.02 -29.85 45.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -73.2 -68.53 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.638 ' CD ' HG23 ' A' ' 40' ' ' THR . 4.0 pt-20 -50.19 -24.57 2.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.342 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.912 HG23 HG21 ' A' ' 40' ' ' THR . 5.0 t -81.12 -47.8 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.1 t -47.1 -26.33 1.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.928 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.83 -40.08 66.05 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.578 1.174 . . . . 0.0 110.343 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.465 ' CB ' ' HB3' ' A' ' 36' ' ' GLN . . . -46.46 167.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.351 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.58 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -109.86 168.0 8.29 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.58 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.3 Cg_endo -75.0 110.24 3.08 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.501 1.79 . . . . 0.0 111.067 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 72.71 49.08 19.55 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.562 1.164 . . . . 0.0 110.991 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 35.6 m -134.6 154.22 79.47 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.588 0.816 . . . . 0.0 110.042 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 51.05 2.69 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.576 1.83 . . . . 0.0 111.025 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.465 ' HB3' ' CB ' ' A' ' 30' ' ' ALA . 1.0 OUTLIER -121.25 -52.61 2.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.41 1.069 . . . . 0.0 110.333 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.472 ' CE1' HD11 ' A' ' 41' ' ' ILE . 2.2 t80 -62.47 -60.59 3.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.405 ' CE ' HD22 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -49.35 -39.54 32.18 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.479 1.112 . . . . 0.0 111.023 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -57.55 -43.45 84.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.087 . . . . 0.0 110.304 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.912 HG21 HG23 ' A' ' 27' ' ' VAL . 1.1 m -62.81 -26.26 68.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.15 . . . . 0.0 110.391 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.708 HG22 HD21 ' A' ' 118' ' ' LEU . 18.8 mm -68.45 -53.0 31.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.417 1.073 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.474 ' HD2' HD13 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -61.34 -27.73 68.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.316 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.405 ' O ' ' CG ' ' A' ' 47' ' ' GLN . 0.2 OUTLIER -67.82 -43.39 79.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.76 -38.38 83.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -67.59 -32.86 58.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 109.356 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -89.18 -5.61 57.57 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.462 1.101 . . . . 0.0 110.299 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.405 ' CG ' ' O ' ' A' ' 43' ' ' LEU . 3.2 mm-40 -85.04 -75.33 0.36 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.596 ' CZ ' ' SD ' ' A' ' 15' ' ' MET . 3.5 p90 -114.34 -10.45 12.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 111.021 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.9 t0 59.91 94.29 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.09 . . . . 0.0 109.285 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 159.6 41.37 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.502 1.791 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 61.2 p -94.58 -174.93 3.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.581 1.175 . . . . 0.0 110.406 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.81 -50.56 73.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.429 ' HD3' ' N ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -57.68 -37.31 73.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.429 ' N ' ' HD3' ' A' ' 53' ' ' LYS . 79.9 m-20 -70.24 -38.4 75.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.423 1.077 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.998 HD13 ' CG ' ' A' ' 117' ' ' TRP . 21.8 mt -66.63 -41.25 88.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.33 -55.85 28.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.095 . . . . 0.0 110.314 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -62.37 -39.74 94.16 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.4 HD12 ' O ' ' A' ' 58' ' ' LEU . 13.0 tp -59.31 -36.18 75.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.527 HD13 ' HE1' ' A' ' 121' ' ' PHE . 24.9 tp -65.94 -32.43 73.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.46 2.29 56.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.599 1.187 . . . . 0.0 110.255 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.595 ' CE1' ' O ' ' A' ' 20' ' ' LEU . 1.6 t80 -98.06 -49.98 4.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 111.055 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.707 HD11 HG22 ' A' ' 23' ' ' ILE . 42.9 mt -105.18 -59.8 1.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.454 ' CB ' HD12 ' A' ' 59' ' ' LEU . 1.7 m -55.68 137.01 50.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.105 . . . . 0.0 108.314 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.55 176.51 9.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 110.048 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 9.8 m -60.49 -61.03 2.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.999 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.463 ' O ' HD12 ' A' ' 66' ' ' LEU . 5.5 tp -51.94 -44.91 64.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.343 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.3 t -61.94 -58.19 8.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -45.27 -35.68 3.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.3 m -69.9 -50.87 38.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.021 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.44 ' O ' ' NE2' ' A' ' 74' ' ' GLN . 19.6 mt -55.77 -48.36 75.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -38.14 81.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 109.606 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -57.68 -34.5 69.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.647 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -67.54 -46.52 72.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.274 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.476 ' OE1' ' HB3' ' A' ' 123' ' ' ALA . 3.9 mt-30 -65.19 -51.16 62.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 110.231 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.716 HD23 ' HB2' ' A' ' 120' ' ' ALA . 0.2 OUTLIER -53.03 -34.68 57.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.359 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -60.26 -62.44 1.87 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.67 -33.47 68.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.069 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.932 HD23 ' HG ' ' A' ' 116' ' ' LEU . 1.4 tp -62.57 -52.04 64.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.395 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.546 ' CD1' HD13 ' A' ' 75' ' ' LEU . 0.9 OUTLIER -57.46 -61.33 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.28 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.439 ' O ' ' CB ' ' A' ' 84' ' ' THR . 5.5 m -45.36 -27.11 0.63 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.957 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -73.31 -43.06 61.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.374 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.887 ' HB1' HG12 ' A' ' 87' ' ' ILE . . . -62.71 -58.75 6.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.578 1.173 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -55.44 -39.47 70.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.276 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.439 ' CB ' ' O ' ' A' ' 80' ' ' SER . 3.2 m -64.4 -48.72 74.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 110.418 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.63 0.22 21.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 110.27 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 72.2 94.25 0.08 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.547 1.155 . . . . 0.0 111.021 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.887 HG12 ' HB1' ' A' ' 82' ' ' ALA . 48.1 mt -60.8 166.58 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.553 0.796 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.514 ' N ' HG22 ' A' ' 87' ' ' ILE . 65.5 p -47.02 -96.64 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 110.393 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.449 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -121.83 59.65 0.57 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.491 1.119 . . . . 0.0 110.939 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -81.82 147.46 29.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 111.022 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -111.41 98.27 39.49 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.574 1.171 . . . . 0.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.101 0 O-C-N 124.523 1.802 . . . . 0.0 111.035 -179.993 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.867 0 N-CA-C 110.97 -0.435 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.476 ' CD2' HG12 ' A' ' 79' ' ' ILE . 9.8 tp -120.2 -45.1 2.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.448 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 0.0 OUTLIER -65.08 -29.51 70.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 110.242 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 76.7 t -60.55 -40.49 84.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -75.91 -30.76 58.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 110.301 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -70.12 -45.7 66.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 98' ' ' ARG . 22.4 p30 -92.57 31.28 1.37 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -98.92 131.99 24.5 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 48.9 2.1 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.502 1.79 . . . . 0.0 111.03 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -154.58 -45.67 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -82.29 117.99 22.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -112.19 -24.97 9.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -65.78 -58.51 9.01 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.543 1.152 . . . . 0.0 111.075 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.652 ' CD1' HG21 ' A' ' 87' ' ' ILE . 0.3 OUTLIER -67.12 -45.9 75.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 0.776 . . . . 0.0 109.382 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -43.99 -38.72 3.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.409 ' C ' ' N ' ' A' ' 113' ' ' TYR . 6.9 mtt180 -78.03 -63.34 1.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 113' ' ' TYR . 0.0 OUTLIER -43.24 -27.08 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.331 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.471 ' HA ' HD22 ' A' ' 116' ' ' LEU . 12.8 t80 -77.57 -53.45 7.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.959 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -43.99 -40.67 4.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 110.358 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.15 -60.5 2.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.322 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.932 ' HG ' HD23 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -41.83 -36.27 1.0 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.998 ' CG ' HD13 ' A' ' 55' ' ' LEU . 70.2 t90 -65.94 -60.7 2.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 107.944 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.708 HD21 HG22 ' A' ' 41' ' ' ILE . 67.5 mt -49.43 -32.45 11.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 116' ' ' LEU . . . -57.1 -60.82 3.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.716 ' HB2' HD23 ' A' ' 75' ' ' LEU . . . -49.22 -47.65 46.11 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.428 1.08 . . . . 0.0 109.264 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.791 ' CE1' ' CZ2' ' A' ' 117' ' ' TRP . 1.2 m-85 -55.98 -41.28 74.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.975 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -86.59 6.74 29.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.557 1.161 . . . . 0.0 109.384 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.476 ' HB3' ' OE1' ' A' ' 74' ' ' GLN . . . -102.77 0.76 33.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 88.6 mt -76.53 151.99 83.17 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.088 0 O-C-N 124.524 1.802 . . . . 0.0 110.914 -179.934 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.91 0 N-CA-C 110.983 -0.43 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.99 -16.06 61.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.611 1.194 . . . . 0.0 110.01 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.685 ' HE3' HD21 ' A' ' 172' ' ' LEU . 42.9 p-90 -78.26 -17.17 57.03 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -80.36 2.98 22.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -117.97 14.36 14.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.045 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.549 ' CG1' ' HA ' ' A' ' 133' ' ' TRP . 2.0 mm -98.55 117.08 42.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.357 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -136.33 107.54 6.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 6.3 tm0? -60.06 109.84 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -65.5 161.47 42.43 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.483 1.114 . . . . 0.0 111.042 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.579 HD21 ' HB2' ' A' ' 180' ' ' GLU . 2.4 tm? -60.23 -41.45 93.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.761 . . . . 0.0 109.252 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -111.17 39.97 2.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -113.61 156.01 44.11 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 91.14 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.519 1.799 . . . . 0.0 110.962 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' TYR . . . . . 0.779 ' O ' HG23 ' A' ' 148' ' ' VAL . 52.9 t80 -52.75 -48.84 66.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 111.02 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.75 -46.23 67.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.608 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -60.8 -45.42 94.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.084 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 147' ' ' PHE . . . . . 0.463 ' CD2' HG22 ' A' ' 136' ' ' ILE . 2.0 m-85 -55.65 -48.58 74.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.779 HG23 ' O ' ' A' ' 144' ' ' TYR . 13.8 t -53.21 -42.63 47.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.99 -57.22 13.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.336 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.03 -14.42 35.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.429 1.08 . . . . 0.0 110.342 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.497 ' HA ' HD23 ' A' ' 151' ' ' LEU . 3.2 mt -78.46 -44.71 23.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.347 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 152' ' ' ASN . . . . . 0.457 ' HA ' ' CE ' ' A' ' 165' ' ' LYS . 25.4 t-20 -63.84 -28.77 70.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 153' ' ' ILE . . . . . 0.458 ' O ' ' N ' ' A' ' 156' ' ' ASP . 4.3 mt -84.41 -58.77 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -48.98 -30.84 6.5 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.479 1.112 . . . . 0.0 109.259 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 0.639 HD22 ' HG ' ' A' ' 159' ' ' LEU . 17.6 mt -82.89 -29.91 28.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.368 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 153' ' ' ILE . 0.2 OUTLIER -71.33 -6.32 39.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 109.366 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 16.0 m-20 -117.76 -38.93 3.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -90.58 -41.27 5.46 Favored Glycine 0 CA--C 1.528 0.896 0 O-C-N 124.501 1.126 . . . . 0.0 111.039 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.66 ' CD1' HG22 ' A' ' 163' ' ' THR . 0.2 OUTLIER -79.01 114.57 45.44 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.473 0.749 . . . . 0.0 109.316 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 150.89 38.91 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.475 1.776 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -57.32 -27.39 62.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 110.263 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -65.94 -19.53 67.78 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.49 1.118 . . . . 0.0 110.994 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 163' ' ' THR . . . . . 0.66 HG22 ' CD1' ' A' ' 159' ' ' LEU . 1.3 m -115.28 141.32 26.97 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.516 0.774 . . . . 0.0 110.395 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 164' ' ' PRO . . . . . 0.529 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.3 Cg_endo -75.0 120.55 6.12 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.498 1.788 . . . . 0.0 111.056 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 165' ' ' LYS . . . . . 0.511 ' HE2' HD22 ' A' ' 169' ' ' LEU . 0.0 OUTLIER -98.01 -31.03 12.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.341 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 166' ' ' ASP . . . . . 0.498 ' N ' ' CD ' ' A' ' 167' ' ' PRO . 0.1 OUTLIER -40.68 -52.29 6.45 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.436 1.085 . . . . 0.0 109.288 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 167' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 166' ' ' ASP . 18.3 Cg_endo -74.96 -57.48 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.512 1.796 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 168' ' ' ILE . . . . . 0.817 HG23 HD12 ' A' ' 172' ' ' LEU . 0.0 OUTLIER -45.8 -26.02 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 169' ' ' LEU . . . . . 0.801 ' CD2' HD22 ' A' ' 195' ' ' LEU . 24.9 tp -65.62 -66.99 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.602 1.189 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 170' ' ' ARG . . . . . 0.415 ' HG2' ' N ' ' A' ' 171' ' ' SER . 17.9 ptt180 -57.38 -30.21 64.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 171' ' ' SER . . . . . 0.415 ' N ' ' HG2' ' A' ' 170' ' ' ARG . 0.1 OUTLIER -75.04 -25.16 58.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.085 . . . . 0.0 110.0 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.817 HD12 HG23 ' A' ' 168' ' ' ILE . 1.0 OUTLIER -80.27 -49.12 12.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 173' ' ' ALA . . . . . 0.751 ' O ' ' HB2' ' A' ' 177' ' ' ALA . . . -67.85 -14.44 62.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 174' ' ' TYR . . . . . 0.442 ' O ' ' HB3' ' A' ' 177' ' ' ALA . 17.5 t80 -97.23 -62.99 1.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 33.5 t -57.33 -55.6 32.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.991 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -84.93 52.48 2.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 177' ' ' ALA . . . . . 0.751 ' HB2' ' O ' ' A' ' 173' ' ' ALA . . . -129.44 140.44 51.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.285 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 178' ' ' ASN . . . . . 0.421 ' OD1' ' N ' ' A' ' 140' ' ' LEU . 0.7 OUTLIER -52.93 -175.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.425 1.078 . . . . 0.0 109.332 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.93 -61.5 1.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 180' ' ' GLU . . . . . 0.579 ' HB2' HD21 ' A' ' 140' ' ' LEU . 0.3 OUTLIER -43.54 -36.48 2.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.299 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 181' ' ' CYS . . . . . 0.424 ' O ' ' N ' ' A' ' 184' ' ' LEU . 12.2 t -69.45 -69.84 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 108.286 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -45.82 -40.92 10.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 5.0 mtpp -62.96 -38.56 91.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.257 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.471 HD23 ' O ' ' A' ' 184' ' ' LEU . 2.1 tt -59.93 -54.17 49.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 185' ' ' LEU . . . . . 0.54 ' CD2' ' NE2' ' A' ' 190' ' ' HIS . 43.7 mt -54.71 -56.65 16.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 186' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -49.94 -44.11 50.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.281 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -65.31 -25.06 67.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 109.34 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 188' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 185' ' ' LEU . 0.3 OUTLIER -87.0 -9.72 54.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.273 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 53.97 46.11 69.86 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 190' ' ' HIS . . . . . 0.553 ' CG ' ' O ' ' A' ' 190' ' ' HIS . 0.1 OUTLIER -147.03 28.35 1.02 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 0.731 . . . . 0.0 109.622 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 191' ' ' THR . . . . . 0.455 ' C ' ' O ' ' A' ' 190' ' ' HIS . 1.2 p -33.12 -49.31 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.442 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 192' ' ' ASN . . . . . 0.441 ' O ' ' O ' ' A' ' 193' ' ' SER . 21.9 m-80 -83.5 -109.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.335 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 193' ' ' SER . . . . . 0.529 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.2 OUTLIER 49.01 179.52 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.944 179.931 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 194' ' ' PRO . . . . . 0.529 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.3 Cg_endo -74.96 170.87 19.45 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.567 1.825 . . . . 0.0 110.964 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 195' ' ' LEU . . . . . 0.801 HD22 ' CD2' ' A' ' 169' ' ' LEU . 13.3 tp -70.28 -35.95 74.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -47.46 -37.73 12.91 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.439 1.087 . . . . 0.0 111.044 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 197' ' ' ASP . . . . . 0.466 ' HB3' ' CE1' ' A' ' 190' ' ' HIS . 17.8 t0 -77.96 -36.14 49.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 0.742 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 198' ' ' MET . . . . . 0.445 ' HG3' HD12 ' A' ' 195' ' ' LEU . 75.3 mmm -54.85 -47.52 74.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 199' ' ' LEU . . . . . 0.626 HD21 HG11 ' A' ' 148' ' ' VAL . 2.3 mm? -71.76 -30.05 65.15 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.539 1.15 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.19 -5.98 47.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.342 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -102.63 -28.9 11.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 202' ' ' CYS . . . . . 0.597 ' SG ' ' CD2' ' A' ' 144' ' ' TYR . 0.1 OUTLIER -94.56 -12.0 28.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.092 . . . . 0.0 108.258 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -55.09 -18.15 5.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 110.314 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.32 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.588 ' SD ' ' CZ ' ' A' ' 48' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.526 0.203 . . . . 0.0 110.988 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.426 ' OE1' ' N ' ' A' ' 16' ' ' GLN . 15.3 pm0 -104.12 162.25 13.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 110.341 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.1 mmt -47.47 -31.03 3.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.94 -46.79 81.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 109.366 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.499 ' OD2' ' CE2' ' A' ' 48' ' ' PHE . 55.5 m-20 -60.7 -59.94 4.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.727 ' HA ' HD12 ' A' ' 23' ' ' ILE . 62.3 mt -47.19 -34.39 6.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.21 -60.19 2.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.336 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.46 -40.71 62.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.727 HD12 ' HA ' ' A' ' 20' ' ' LEU . 34.3 mt -56.37 -51.53 63.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.357 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -50.13 -31.47 13.57 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.479 1.112 . . . . 0.0 109.247 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -72.72 -72.3 0.25 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 110.241 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.488 ' CD ' HG23 ' A' ' 40' ' ' THR . 16.3 pt-20 -45.22 -30.83 1.29 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.281 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.528 HG21 HD13 ' A' ' 62' ' ' LEU . 31.4 t -74.21 -51.27 24.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -43.33 -29.72 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.022 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -68.39 -46.3 70.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.265 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.488 ' HB1' ' HB3' ' A' ' 36' ' ' GLN . . . -46.77 166.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.466 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -105.19 163.02 18.0 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.466 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.3 Cg_endo -74.95 108.89 2.82 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.484 1.781 . . . . 0.0 111.003 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.26 42.71 10.25 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 59.6 p -130.14 153.36 81.11 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.551 0.794 . . . . 0.0 110.0 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 49.57 2.28 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.488 ' HB3' ' HB1' ' A' ' 30' ' ' ALA . 1.4 tp60 -121.39 -47.11 2.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.248 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.414 ' CE1' HD11 ' A' ' 41' ' ' ILE . 2.7 t80 -61.17 -56.55 19.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 111.027 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.55 ' HE1' HD22 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -51.5 -49.18 62.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 111.07 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -49.08 -47.13 45.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.488 HG23 ' CD ' ' A' ' 26' ' ' GLU . 2.9 m -56.7 -32.06 65.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.441 1.088 . . . . 0.0 110.41 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.675 HG22 HD21 ' A' ' 118' ' ' LEU . 5.6 mm -68.34 -40.32 82.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.631 ' HD2' HD13 ' A' ' 118' ' ' LEU . 15.8 mmm180 -66.66 -22.44 66.1 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.566 1.167 . . . . 0.0 110.371 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.08 -50.42 13.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.478 ' HB1' ' CZ ' ' A' ' 48' ' ' PHE . . . -64.95 -34.89 79.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.855 HG11 HD11 ' A' ' 118' ' ' LEU . 1.2 t -72.0 -26.11 24.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.42 1.075 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -95.79 -2.45 47.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -90.84 -68.32 0.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.282 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.588 ' CZ ' ' SD ' ' A' ' 15' ' ' MET . 3.5 p90 -115.44 -30.83 6.11 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.551 1.157 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.47 ' CB ' ' O ' ' A' ' 48' ' ' PHE . 0.9 OUTLIER 79.49 96.1 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.446 1.091 . . . . 0.0 109.344 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.534 ' O ' ' NE2' ' A' ' 114' ' ' GLN . 18.3 Cg_endo -74.98 123.56 7.98 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.533 1.807 . . . . 0.0 111.032 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 26.0 p -59.54 -176.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.407 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.81 -46.55 87.36 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.454 1.096 . . . . 0.0 109.255 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -56.12 26.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.598 1.186 . . . . 0.0 109.247 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -52.5 -37.3 57.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 1.142 HD13 ' CG ' ' A' ' 117' ' ' TRP . 13.8 mt -65.42 -42.35 92.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.7 -54.71 38.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.135 . . . . 0.0 110.262 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -64.82 -46.26 82.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.081 . . . . 0.0 109.252 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.433 HD13 ' CD2' ' A' ' 20' ' ' LEU . 15.9 tp -50.38 -32.83 18.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.487 HD12 ' HB2' ' A' ' 63' ' ' CYS . 32.9 tp -70.59 -42.44 71.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -83.81 7.55 17.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.255 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -101.97 -54.41 2.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 111.085 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.616 HD11 HG22 ' A' ' 23' ' ' ILE . 53.8 mt -98.19 -57.69 2.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 109.239 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.501 ' SG ' ' CG1' ' A' ' 67' ' ' VAL . 1.2 m -57.89 164.57 2.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 108.323 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.665 ' O ' ' HB2' ' A' ' 68' ' ' ALA . 15.6 m -99.03 -175.44 3.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.059 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.53 -52.62 30.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.038 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.7 tp -65.77 -55.95 14.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.438 1.086 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.501 ' CG1' ' SG ' ' A' ' 63' ' ' CYS . 1.0 OUTLIER -51.26 -40.01 22.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.314 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.665 ' HB2' ' O ' ' A' ' 64' ' ' SER . . . -57.24 -60.19 3.99 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 109.241 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.407 ' O ' ' HB2' ' A' ' 72' ' ' HIS . 58.3 p -49.67 -42.75 46.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.07 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.3 mt -51.74 -44.28 63.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.731 ' CD2' ' HB3' ' A' ' 120' ' ' ALA . 0.2 OUTLIER -70.99 -37.21 72.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.55 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.407 ' HB2' ' O ' ' A' ' 69' ' ' SER . 25.1 m80 -52.12 -44.83 64.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.592 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.2 tm0? -65.81 -56.0 14.2 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.12 . . . . 0.0 110.283 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.897 ' O ' HD22 ' A' ' 78' ' ' LEU . 43.3 mt-30 -53.61 -27.95 29.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.299 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.52 HD23 ' CB ' ' A' ' 120' ' ' ALA . 0.1 OUTLIER -70.04 -54.36 13.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -53.27 -20.95 4.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.3 m -72.88 -55.54 6.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.045 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.897 HD22 ' O ' ' A' ' 74' ' ' GLN . 0.1 OUTLIER -66.11 -47.84 72.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 109.293 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.654 HD12 ' CD2' ' A' ' 97' ' ' LEU . 29.5 mm -48.75 -38.1 9.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 0.0 109.326 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.6 t -71.78 -35.6 70.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 110.065 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -62.31 -43.44 98.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.613 1.196 . . . . 0.0 110.307 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.801 ' HB1' HG12 ' A' ' 87' ' ' ILE . . . -64.3 -63.6 1.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.257 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -49.66 -36.54 25.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 110.269 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.8 m -62.36 -44.92 95.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.429 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 6.4 mpt_? -77.8 -1.75 33.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.308 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.17 -8.97 59.23 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.596 1.185 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.801 HG12 ' HB1' ' A' ' 82' ' ' ALA . 32.8 mt 58.82 157.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 O-C-N 124.458 0.74 . . . . 0.0 109.309 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.711 HG23 ' H ' ' A' ' 89' ' ' GLY . 0.0 OUTLIER -42.34 -73.53 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.53 1.144 . . . . 0.0 110.367 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.711 ' H ' HG23 ' A' ' 88' ' ' THR . . . -139.16 57.77 0.62 Allowed Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.505 1.128 . . . . 0.0 111.056 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.494 ' HB2' HD11 ' A' ' 109' ' ' LEU . 10.2 t80 -79.49 151.31 30.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 0.767 . . . . 0.0 111.021 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.421 ' OD1' ' N ' ' A' ' 91' ' ' ASN . 0.1 OUTLIER -115.25 129.67 24.9 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.201 0 O-C-N 124.491 1.785 . . . . 0.0 110.98 -179.954 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.454 -0.823 0 N-CA-C 110.922 -0.453 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.654 ' CD2' HD12 ' A' ' 79' ' ' ILE . 12.9 tp -47.6 -44.34 26.39 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.553 1.158 . . . . 0.0 109.258 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -48.11 -41.23 25.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 110.312 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 42.6 t -66.56 -34.99 73.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -68.51 -36.28 78.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -75.39 -28.54 59.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -61.44 -24.59 66.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -84.37 129.16 58.92 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.404 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -15.56 20.78 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.494 1.786 . . . . 0.0 110.95 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -57.21 -55.59 32.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.32 62.31 4.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -55.92 -27.97 54.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.27 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -58.1 -57.13 21.42 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.583 1.177 . . . . 0.0 110.977 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.76 HD11 HG21 ' A' ' 87' ' ' ILE . 0.5 OUTLIER -71.92 -27.5 62.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 0.767 . . . . 0.0 109.357 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.18 -58.64 7.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.34 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.431 ' NH1' ' OE1' ' A' ' 115' ' ' GLN . 0.0 OUTLIER -61.02 -44.85 96.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.43 1.081 . . . . 0.0 110.308 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -54.56 -48.22 72.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 110.282 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -65.65 -43.73 88.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.534 ' NE2' ' O ' ' A' ' 50' ' ' PRO . 42.5 mm-40 -55.62 -49.45 72.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.264 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.431 ' OE1' ' NH1' ' A' ' 111' ' ' ARG . 3.8 tt0 -69.42 -47.77 63.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.459 1.1 . . . . 0.0 110.257 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.911 HD23 ' N ' ' A' ' 117' ' ' TRP . 0.2 OUTLIER -51.16 -47.37 62.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 1.142 ' CG ' HD13 ' A' ' 55' ' ' LEU . 86.1 t90 -54.35 -53.96 46.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 107.99 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.855 HD11 HG11 ' A' ' 45' ' ' VAL . 78.2 mt -55.21 -21.6 14.52 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.832 ' HB3' ' O ' ' A' ' 116' ' ' LEU . . . -68.19 -63.4 1.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.731 ' HB3' ' CD2' ' A' ' 71' ' ' HIS . . . -55.93 -31.96 63.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.404 1.065 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.798 ' CE1' ' CZ2' ' A' ' 117' ' ' TRP . 0.2 OUTLIER -63.54 -42.31 98.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 111.039 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.439 ' HB2' ' HG3' ' A' ' 38' ' ' MET . . . -93.78 6.49 48.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.625 ' HB1' ' OE1' ' A' ' 74' ' ' GLN . . . -94.66 0.12 54.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 59.0 mt -73.13 155.22 90.33 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.325 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.548 1.815 . . . . 0.0 111.021 179.97 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.454 -0.839 0 N-CA-C 110.982 -0.43 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 6.1 m -71.76 -23.88 61.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.422 1.076 . . . . 0.0 110.009 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.676 ' CD1' HD23 ' A' ' 155' ' ' LEU . 23.3 p-90 -73.69 -27.1 61.05 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.6 -13.66 54.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.345 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 24.4 m -120.96 29.39 7.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.428 1.08 . . . . 0.0 110.042 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 9.4 mt -123.01 120.87 61.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.352 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.913 HD23 ' HB3' ' A' ' 176' ' ' ASN . 0.8 OUTLIER -136.36 141.18 43.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.437 1.086 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 138' ' ' GLN . . . . . 0.493 ' CG ' ' HA ' ' A' ' 144' ' ' TYR . 0.2 OUTLIER -81.86 114.58 20.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 139' ' ' GLY . . . . . 0.451 ' N ' ' OE1' ' A' ' 138' ' ' GLN . . . -71.12 154.04 51.61 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.488 1.117 . . . . 0.0 110.948 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -64.95 -27.53 68.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 0.73 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -113.44 40.67 2.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.298 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.14 156.27 76.99 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.272 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 110.32 3.09 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.489 1.784 . . . . 0.0 111.065 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' TYR . . . . . 0.757 ' O ' HG23 ' A' ' 148' ' ' VAL . 14.1 t80 -68.71 -43.97 74.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.455 1.097 . . . . 0.0 111.032 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.12 -54.76 26.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 109.631 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -58.56 -37.49 75.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.263 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 147' ' ' PHE . . . . . 0.49 ' CD2' ' HG2' ' A' ' 138' ' ' GLN . 0.2 OUTLIER -62.12 -51.38 68.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 111.019 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 144' ' ' TYR . 33.2 t -49.04 -34.82 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.353 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 149' ' ' GLU . . . . . 0.711 ' O ' HD12 ' A' ' 153' ' ' ILE . 23.6 tt0 -67.36 -54.73 17.95 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -34.7 72.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.579 1.175 . . . . 0.0 110.335 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.528 HD11 ' HB3' ' A' ' 172' ' ' LEU . 1.0 OUTLIER -59.28 -38.93 81.39 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 109.303 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 33.2 t-20 -65.95 -54.22 29.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 153' ' ' ILE . . . . . 0.711 HD12 ' O ' ' A' ' 149' ' ' GLU . 2.1 mp -52.53 -53.61 19.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -59.04 -23.18 61.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 0.676 HD23 ' CD1' ' A' ' 133' ' ' TRP . 20.2 mt -90.06 -3.74 57.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -102.22 -12.38 18.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -109.72 -12.15 14.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -123.86 -43.59 0.33 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.617 HD23 ' NE1' ' A' ' 133' ' ' TRP . 0.2 OUTLIER -79.48 114.52 46.08 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.554 0.796 . . . . 0.0 109.324 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 160' ' ' PRO . . . . . 0.547 ' HD2' HD13 ' A' ' 159' ' ' LEU . 18.3 Cg_endo -75.0 -178.54 4.24 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.469 1.773 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.48 -26.75 24.47 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -70.92 -13.5 72.42 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.579 1.174 . . . . 0.0 111.012 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 163' ' ' THR . . . . . 0.68 HG23 ' HD2' ' A' ' 164' ' ' PRO . 3.5 m -111.95 145.37 32.6 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.507 0.769 . . . . 0.0 110.384 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 164' ' ' PRO . . . . . 0.68 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.1 Cg_endo -75.07 110.95 3.21 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.439 1.757 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 165' ' ' LYS . . . . . 0.539 ' HB2' HD12 ' A' ' 159' ' ' LEU . 0.0 OUTLIER -98.9 -23.6 15.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 166' ' ' ASP . . . . . 0.509 ' CB ' ' HD3' ' A' ' 167' ' ' PRO . 0.3 OUTLIER -51.45 -52.95 54.97 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 167' ' ' PRO . . . . . 0.509 ' HD3' ' CB ' ' A' ' 166' ' ' ASP . 18.4 Cg_endo -74.98 -48.93 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.464 1.77 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -48.52 -39.62 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.567 1.167 . . . . 0.0 109.387 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 169' ' ' LEU . . . . . 0.656 HD13 HD12 ' A' ' 155' ' ' LEU . 13.4 tp -59.36 -61.96 2.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 170' ' ' ARG . . . . . 0.5 ' CZ ' ' O ' ' A' ' 191' ' ' THR . 32.2 ttp85 -53.44 -40.74 65.42 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.451 1.095 . . . . 0.0 110.307 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.04 -33.18 73.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.986 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.571 HD21 ' HE3' ' A' ' 133' ' ' TRP . 10.5 mt -78.53 -38.65 39.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 173' ' ' ALA . . . . . 0.452 ' HB1' ' HE1' ' A' ' 144' ' ' TYR . . . -78.72 0.05 28.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -111.66 -67.67 0.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 111.037 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 2.3 m -45.0 -65.08 0.58 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.944 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 176' ' ' ASN . . . . . 0.913 ' HB3' HD23 ' A' ' 137' ' ' LEU . 2.4 p-10 -91.03 65.16 5.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.245 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 177' ' ' ALA . . . . . 0.452 ' HB2' ' O ' ' A' ' 173' ' ' ALA . . . -130.77 63.61 1.58 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.624 1.202 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 178' ' ' ASN . . . . . 0.422 ' O ' ' O ' ' A' ' 177' ' ' ALA . 0.0 OUTLIER 41.09 -162.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.084 . . . . 0.0 109.336 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 6.5 ttpt -111.13 -15.38 13.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 109.335 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.02 -43.97 13.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 181' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 184' ' ' LEU . 7.4 t -64.28 -59.94 3.78 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.508 1.13 . . . . 0.0 108.305 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.75 -45.07 7.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.278 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 8.3 ttpp -72.63 -32.36 65.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.654 HD23 ' O ' ' A' ' 184' ' ' LEU . 0.9 OUTLIER -60.4 -49.36 77.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 185' ' ' LEU . . . . . 0.529 HD11 ' CE ' ' A' ' 198' ' ' MET . 17.2 mt -56.91 -58.34 8.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 186' ' ' GLN . . . . . 0.468 ' CD ' HG21 ' A' ' 191' ' ' THR . 32.1 mm-40 -52.28 -42.57 63.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.141 . . . . 0.0 110.326 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -63.81 -25.72 68.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 188' ' ' ARG . . . . . 0.474 ' HG3' ' CD2' ' A' ' 184' ' ' LEU . 0.0 OUTLIER -86.0 -20.01 29.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 110.278 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 62.52 56.64 20.4 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.525 1.141 . . . . 0.0 111.007 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 190' ' ' HIS . . . . . 0.584 ' CG ' ' O ' ' A' ' 190' ' ' HIS . 1.2 p80 -157.92 39.35 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 0.726 . . . . 0.0 109.609 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 191' ' ' THR . . . . . 0.5 ' O ' ' CZ ' ' A' ' 170' ' ' ARG . 0.9 OUTLIER -64.39 -46.53 82.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 110.434 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -82.29 57.86 3.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.389 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 193' ' ' SER . . . . . 0.545 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER -133.37 -179.0 0.95 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.618 1.199 . . . . 0.0 110.023 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 194' ' ' PRO . . . . . 0.545 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.4 Cg_endo -74.95 -179.73 5.26 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.467 1.772 . . . . 0.0 111.019 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 195' ' ' LEU . . . . . 0.565 HD21 ' CG1' ' A' ' 148' ' ' VAL . 6.6 tp -74.78 -52.41 11.53 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.495 1.122 . . . . 0.0 109.36 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -43.35 -44.55 6.36 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.445 1.091 . . . . 0.0 111.044 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 197' ' ' ASP . . . . . 0.447 ' HB3' ' CE1' ' A' ' 190' ' ' HIS . 0.2 OUTLIER -64.05 -37.45 87.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 0.783 . . . . 0.0 109.328 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 198' ' ' MET . . . . . 0.529 ' CE ' HD11 ' A' ' 185' ' ' LEU . 2.8 mmm -67.69 -38.48 83.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.422 1.076 . . . . 0.0 111.026 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 199' ' ' LEU . . . . . 0.639 HD21 HG11 ' A' ' 148' ' ' VAL . 2.4 mm? -70.25 -16.82 63.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -88.2 -23.33 23.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.613 1.196 . . . . 0.0 110.293 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -83.48 -39.8 20.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.349 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 202' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 204' ' ' THR . 0.1 OUTLIER -83.83 -16.43 44.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 108.344 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 203' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 202' ' ' CYS . 8.8 pt20 -38.41 -29.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 110.268 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 204' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 202' ' ' CYS . 1.5 t . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.321 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.57 ' HG3' ' CZ ' ' A' ' 48' ' ' PHE . 1.2 ttt . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.524 0.202 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.42 ' HG3' ' CG ' ' A' ' 18' ' ' LYS . 5.7 pt20 -136.24 -171.54 2.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.307 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -71.39 -61.26 1.83 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 111.04 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.42 ' CG ' ' HG3' ' A' ' 16' ' ' GLN . 4.7 pttt -45.99 -41.72 12.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.559 1.162 . . . . 0.0 109.283 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -53.57 -48.2 69.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 109.35 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.511 ' CD2' HD13 ' A' ' 58' ' ' LEU . 27.0 mt -64.18 -31.4 72.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.44 -50.13 60.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 110.27 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.65 -47.14 86.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.422 ' HA ' ' CG ' ' A' ' 26' ' ' GLU . 69.7 mt -52.69 -51.09 38.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.69 -33.23 21.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.32 -71.92 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.265 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.495 ' CD ' HG23 ' A' ' 40' ' ' THR . 4.8 pt-20 -45.33 -28.15 0.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.36 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.655 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 10.2 t -77.73 -47.65 25.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.7 p -46.22 -49.68 16.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.95 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -54.93 -33.39 62.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.436 1.085 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.655 ' HB3' ' O ' ' A' ' 27' ' ' VAL . . . -47.84 166.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.36 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.594 ' HB3' ' HB3' ' A' ' 34' ' ' SER . . . -108.14 164.51 14.61 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.496 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.0 Cg_endo -75.04 115.1 4.18 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.516 1.798 . . . . 0.0 110.988 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 70.19 34.25 69.6 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.488 1.118 . . . . 0.0 111.003 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.594 ' HB3' ' HB3' ' A' ' 31' ' ' ALA . 1.5 t -118.13 150.95 48.48 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.556 0.797 . . . . 0.0 110.033 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 50.27 2.47 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.512 1.796 . . . . 0.0 110.976 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -121.32 -46.94 2.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.158 . . . . 0.0 110.322 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.629 ' CE1' HD11 ' A' ' 41' ' ' ILE . 0.8 OUTLIER -65.98 -66.83 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 111.044 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.505 ' CE ' HD22 ' A' ' 118' ' ' LEU . 6.2 tpt -47.69 -41.23 22.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.579 1.174 . . . . 0.0 111.017 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -55.46 -42.96 75.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.272 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.653 HG21 HG23 ' A' ' 27' ' ' VAL . 0.9 OUTLIER -64.69 -23.42 67.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.335 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.629 HD11 ' CE1' ' A' ' 37' ' ' PHE . 19.7 mm -72.9 -52.72 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.637 ' HD2' HD13 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -55.92 -34.24 65.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.343 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.82 -51.16 68.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.367 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.497 ' HB1' ' CZ ' ' A' ' 48' ' ' PHE . . . -65.58 -33.72 76.58 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.38 1.05 . . . . 0.0 109.189 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.723 HG11 HD11 ' A' ' 118' ' ' LEU . 2.1 t -69.08 -30.21 45.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.75 -2.15 56.22 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -87.45 -68.53 0.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.575 1.172 . . . . 0.0 110.292 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.57 ' CZ ' ' HG3' ' A' ' 15' ' ' MET . 1.5 p90 -114.34 -27.56 7.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.965 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 48' ' ' PHE . 1.7 m-20 76.13 93.24 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.501 ' O ' ' NE2' ' A' ' 114' ' ' GLN . 18.1 Cg_endo -74.98 126.39 9.95 Favored 'Trans proline' 0 C--N 1.359 1.087 0 O-C-N 124.534 1.807 . . . . 0.0 110.971 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.6 p -61.44 -167.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 110.385 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.51 -38.6 81.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 109.367 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' A' ' 56' ' ' GLN . 4.9 mttp -63.1 -65.16 0.73 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.413 1.07 . . . . 0.0 109.234 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -45.89 -42.41 12.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 109.275 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 1.034 HD13 ' CG ' ' A' ' 117' ' ' TRP . 12.8 mt -60.55 -41.96 95.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.565 1.165 . . . . 0.0 109.336 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -53.04 -54.07 40.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.25 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 60' ' ' GLN . 17.9 t0 -65.79 -55.72 15.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.524 HD22 ' HE1' ' A' ' 15' ' ' MET . 31.9 tp -43.11 -36.53 1.69 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.426 1.078 . . . . 0.0 109.302 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 33.3 tp -65.02 -47.99 75.5 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.61 1.193 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -87.79 18.26 4.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -111.65 -31.04 7.12 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.543 1.152 . . . . 0.0 111.061 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 63.8 mt -102.09 -62.37 1.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.45 ' SG ' HG12 ' A' ' 67' ' ' VAL . 13.6 p -86.12 171.75 11.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 108.3 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.0 m -90.95 176.14 6.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.971 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.1 m -53.81 -44.04 69.86 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.579 1.174 . . . . 0.0 110.048 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.406 ' C ' HD12 ' A' ' 66' ' ' LEU . 2.5 tp -45.25 -71.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.45 HG12 ' SG ' ' A' ' 63' ' ' CYS . 3.5 t -50.51 -50.77 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.516 ' O ' ' CG ' ' A' ' 72' ' ' HIS . . . -43.77 -35.76 2.01 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.553 1.158 . . . . 0.0 109.264 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.6 m -78.65 -47.67 16.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 109.996 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.443 ' O ' ' NE2' ' A' ' 74' ' ' GLN . 94.6 mt -51.24 -45.54 62.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.508 ' CD2' ' C ' ' A' ' 71' ' ' HIS . 0.2 OUTLIER -67.34 -37.77 83.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 109.603 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.516 ' CG ' ' O ' ' A' ' 68' ' ' ALA . 52.7 m170 -56.67 -21.06 24.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.642 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -87.79 -71.99 0.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.326 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.443 ' NE2' ' O ' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -46.88 -32.55 3.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.319 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.846 HD13 HD12 ' A' ' 79' ' ' ILE . 2.1 tm? -76.25 -42.0 47.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -59.28 -53.01 63.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.9 t -52.8 -52.38 57.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.052 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.593 HD23 ' HG ' ' A' ' 116' ' ' LEU . 19.1 tp -51.06 -52.31 44.55 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.572 1.17 . . . . 0.0 109.246 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.846 HD12 HD13 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -52.52 -43.79 43.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.56 -36.47 45.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.018 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -67.76 -35.41 78.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.287 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.743 ' HB1' HG12 ' A' ' 87' ' ' ILE . . . -66.15 -59.82 3.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.147 . . . . 0.0 109.328 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -51.03 -39.53 56.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.249 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.8 m -57.4 -47.01 82.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.423 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.13 -1.67 27.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 110.345 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.47 -6.84 63.16 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.451 1.094 . . . . 0.0 111.023 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.743 HG12 ' HB1' ' A' ' 82' ' ' ALA . 37.7 mt 56.35 167.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.777 . . . . 0.0 109.367 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.505 ' N ' HG22 ' A' ' 87' ' ' ILE . 62.7 p -44.63 -76.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.592 1.183 . . . . 0.0 110.384 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.413 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -138.17 53.6 0.71 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.461 1.101 . . . . 0.0 111.04 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.506 ' CD1' ' OE1' ' A' ' 100' ' ' GLN . 77.0 t80 -81.19 144.89 31.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 0.736 . . . . 0.0 110.959 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -111.31 102.16 52.33 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.199 0 O-C-N 124.438 1.757 . . . . 0.0 111.015 -179.998 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.473 ' HB2' ' CG2' ' A' ' 99' ' ' VAL . 18.6 Cg_endo . . . . . 0 N--CA 1.453 -0.867 0 N-CA-C 111.029 -0.412 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.712 HD21 HG12 ' A' ' 79' ' ' ILE . 14.6 tp -120.15 -52.43 2.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.34 -25.16 48.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.247 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.473 ' CG2' ' HB2' ' A' ' 96' ' ' PRO . 89.1 t -66.14 -45.01 91.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.506 ' OE1' ' CD1' ' A' ' 90' ' ' TYR . 77.2 mt-30 -71.37 -23.7 61.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 0.0 110.335 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.544 ' HB2' ' CD2' ' A' ' 113' ' ' TYR . . . -76.94 -25.88 53.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -113.14 33.17 5.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.145 . . . . 0.0 109.28 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.522 ' ND2' ' HD2' ' A' ' 104' ' ' PRO . 0.2 OUTLIER -98.75 132.3 24.11 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.522 ' HD2' ' ND2' ' A' ' 103' ' ' ASN . 18.2 Cg_endo -75.08 49.16 2.2 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.539 1.81 . . . . 0.0 110.952 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -165.83 -41.55 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.272 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -79.65 54.75 1.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.02 -24.98 63.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 110.32 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.25 -56.46 20.09 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.515 1.134 . . . . 0.0 111.023 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.659 HD11 HG21 ' A' ' 87' ' ' ILE . 0.2 OUTLIER -74.32 -30.25 61.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.586 0.815 . . . . 0.0 109.343 179.945 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.44 -55.15 37.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.272 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.49 -45.54 90.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -53.35 -51.03 63.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.544 ' CD2' ' HB2' ' A' ' 101' ' ' ALA . 4.7 t80 -53.83 -39.9 65.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 110.953 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.501 ' NE2' ' O ' ' A' ' 50' ' ' PRO . 6.2 tp-100 -55.14 -50.87 68.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.21 -57.9 4.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 110.335 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.725 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 0.0 OUTLIER -41.57 -42.91 2.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 1.034 ' CG ' HD13 ' A' ' 55' ' ' LEU . 88.2 t90 -60.07 -54.97 39.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 108.01 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.723 HD11 HG11 ' A' ' 45' ' ' VAL . 50.4 mt -53.11 -28.32 24.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.436 1.085 . . . . 0.0 109.348 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.725 ' HB3' ' O ' ' A' ' 116' ' ' LEU . . . -59.79 -63.26 1.37 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.465 ' CB ' ' HB2' ' A' ' 75' ' ' LEU . . . -54.91 -38.5 67.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.93 -30.64 71.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 111.021 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -99.12 6.47 46.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -101.83 1.37 37.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 81.4 mt -74.18 154.86 88.38 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.55 1.816 . . . . 0.0 111.007 179.995 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 131' ' ' PRO . . . . . 0.64 ' HG2' ' HB2' ' A' ' 134' ' ' ALA . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.841 0 N-CA-C 110.95 -0.442 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.94 -23.12 52.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.987 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.706 ' CD1' HD23 ' A' ' 155' ' ' LEU . 12.6 p-90 -75.76 -13.29 60.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 0.0 107.937 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.64 ' HB2' ' HG2' ' A' ' 131' ' ' PRO . . . -68.24 -10.45 54.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.07 31.83 4.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 110.003 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.575 HD12 ' HA ' ' A' ' 133' ' ' TRP . 32.7 mt -123.12 120.91 61.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.496 ' N ' HD12 ' A' ' 137' ' ' LEU . 0.0 OUTLIER -146.52 149.8 34.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 138' ' ' GLN . . . . . 0.461 ' NE2' ' O ' ' A' ' 139' ' ' GLY . 2.8 tp60 -67.28 114.31 5.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.261 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 139' ' ' GLY . . . . . 0.461 ' O ' ' NE2' ' A' ' 138' ' ' GLN . . . -76.7 158.14 48.29 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.432 1.082 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -62.68 -35.17 78.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.765 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -114.94 40.75 2.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.261 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -132.35 155.77 80.89 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' PRO . . . . . 0.464 ' HB2' ' HB3' ' A' ' 146' ' ' ALA . 18.5 Cg_endo -74.91 109.88 3.01 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.453 1.765 . . . . 0.0 111.037 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 144' ' ' TYR . . . . . 0.743 ' O ' HG23 ' A' ' 148' ' ' VAL . 2.6 t80 -66.55 -45.17 80.25 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.546 1.154 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.64 -58.12 9.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.565 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.464 ' HB3' ' HB2' ' A' ' 143' ' ' PRO . . . -52.57 -36.89 56.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 147' ' ' PHE . . . . . 0.472 ' CE1' HG23 ' A' ' 136' ' ' ILE . 0.1 OUTLIER -60.6 -56.69 18.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.743 HG23 ' O ' ' A' ' 144' ' ' TYR . 21.5 t -44.81 -39.8 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -58.27 -59.83 4.71 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.58 1.175 . . . . 0.0 110.261 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 150' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -57.01 -44.06 82.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.089 . . . . 0.0 110.297 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.475 ' HB3' ' CD1' ' A' ' 169' ' ' LEU . 1.8 mt -46.87 -43.51 18.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -65.36 -34.02 77.34 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 153' ' ' ILE . . . . . 0.448 ' N ' ' O ' ' A' ' 150' ' ' ARG . 17.1 mt -69.02 -61.86 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -54.78 -20.41 8.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.245 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 0.706 HD23 ' CD1' ' A' ' 133' ' ' TRP . 21.1 mt -90.18 -23.26 21.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 153' ' ' ILE . 30.7 t70 -88.01 -8.06 56.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 29.7 m-20 -115.12 -7.64 12.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.437 1.086 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -128.14 -43.32 0.23 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.526 1.141 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.614 HD13 ' HD2' ' A' ' 160' ' ' PRO . 0.2 OUTLIER -79.93 115.18 52.27 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.453 0.737 . . . . 0.0 109.262 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 160' ' ' PRO . . . . . 0.614 ' HD2' HD13 ' A' ' 159' ' ' LEU . 18.2 Cg_endo -75.07 -171.11 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.535 1.808 . . . . 0.0 111.006 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -89.34 -43.27 11.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 110.266 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -51.59 -28.8 23.06 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.506 1.129 . . . . 0.0 111.023 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 163' ' ' THR . . . . . 0.655 HG23 ' HD2' ' A' ' 164' ' ' PRO . 1.5 m -100.96 144.01 27.72 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.449 0.735 . . . . 0.0 110.396 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 164' ' ' PRO . . . . . 0.655 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.4 Cg_endo -74.98 116.62 4.64 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.499 1.789 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 165' ' ' LYS . . . . . 0.557 ' HB2' HD12 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -102.56 -18.62 15.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 109.346 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 166' ' ' ASP . . . . . 0.554 ' N ' ' CD ' ' A' ' 167' ' ' PRO . 0.0 OUTLIER -57.39 -49.78 91.9 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.318 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 167' ' ' PRO . . . . . 0.554 ' CD ' ' N ' ' A' ' 166' ' ' ASP . 18.1 Cg_endo -75.08 -45.65 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.41 1.742 . . . . 0.0 110.949 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 168' ' ' ILE . . . . . 0.465 HD13 HD21 ' A' ' 159' ' ' LEU . 0.3 OUTLIER -53.65 -46.84 61.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 169' ' ' LEU . . . . . 0.673 HD13 HD12 ' A' ' 155' ' ' LEU . 53.9 tp -54.52 -56.77 15.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.578 1.174 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 170' ' ' ARG . . . . . 0.502 ' HG3' HD13 ' A' ' 195' ' ' LEU . 10.5 mtt180 -58.97 -15.94 15.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 110.281 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 171' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 175' ' ' SER . 0.2 OUTLIER -83.8 -38.94 20.62 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.557 1.161 . . . . 0.0 110.008 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.541 ' CD1' HD11 ' A' ' 155' ' ' LEU . 0.9 OUTLIER -81.99 -17.88 45.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.437 1.086 . . . . 0.0 109.278 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -83.99 -30.61 26.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 174' ' ' TYR . . . . . 0.443 ' HB2' ' HE1' ' A' ' 198' ' ' MET . 13.6 t80 -117.02 -69.91 0.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.942 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 175' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 171' ' ' SER . 0.2 OUTLIER -41.57 -30.28 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.949 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 176' ' ' ASN . . . . . 0.424 ' HB3' HD23 ' A' ' 137' ' ' LEU . 2.1 m120 -118.46 61.63 0.78 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 177' ' ' ALA . . . . . 0.413 ' O ' ' O ' ' A' ' 178' ' ' ASN . . . -139.73 158.36 44.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 178' ' ' ASN . . . . . 0.413 ' O ' ' O ' ' A' ' 177' ' ' ALA . 44.2 p-10 -57.52 -160.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.258 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.21 -45.29 7.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.575 1.172 . . . . 0.0 109.3 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.26 -42.56 41.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 181' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 184' ' ' LEU . 71.7 m -76.23 -66.35 0.81 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.495 1.122 . . . . 0.0 108.268 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 182' ' ' GLN . . . . . 0.452 ' O ' ' NE2' ' A' ' 186' ' ' GLN . 3.5 mt-30 -40.58 -37.18 0.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.235 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 11.0 ttpp -72.24 -47.16 52.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.696 ' C ' HD23 ' A' ' 184' ' ' LEU . 2.9 tt -57.91 -49.95 74.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 185' ' ' LEU . . . . . 0.681 HD21 ' SD ' ' A' ' 198' ' ' MET . 3.6 mt -48.92 -55.73 10.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.255 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 186' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' A' ' 189' ' ' GLY . 0.4 OUTLIER -59.46 -58.66 7.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.447 1.092 . . . . 0.0 110.302 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -46.75 -31.72 3.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.75 -37.67 76.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.403 1.065 . . . . 0.0 110.275 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 189' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 186' ' ' GLN . . . 75.94 62.13 2.71 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.513 1.133 . . . . 0.0 111.074 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 190' ' ' HIS . . . . . 0.554 ' NE2' HD23 ' A' ' 185' ' ' LEU . 1.4 p80 -156.32 23.83 0.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 0.739 . . . . 0.0 109.571 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -50.14 -47.24 54.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.364 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -86.85 62.3 7.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 193' ' ' SER . . . . . 0.402 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 1.0 OUTLIER -144.68 173.24 4.53 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.01 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 194' ' ' PRO . . . . . 0.402 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.1 Cg_endo -75.04 174.03 13.5 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.495 1.787 . . . . 0.0 110.927 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 195' ' ' LEU . . . . . 0.718 HD21 ' CG1' ' A' ' 148' ' ' VAL . 6.3 tp -65.24 -39.41 92.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -42.26 -35.28 1.77 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.452 1.095 . . . . 0.0 110.983 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 197' ' ' ASP . . . . . 0.489 ' HB3' ' CE1' ' A' ' 190' ' ' HIS . 10.6 t0 -84.58 -36.88 21.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.764 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 198' ' ' MET . . . . . 0.681 ' SD ' HD21 ' A' ' 185' ' ' LEU . 65.1 mmm -54.45 -37.15 64.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 111.029 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 199' ' ' LEU . . . . . 0.681 HD21 HG11 ' A' ' 148' ' ' VAL . 3.6 mm? -83.2 -35.76 25.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.615 1.197 . . . . 0.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.47 -5.16 30.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -103.79 -36.65 7.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 202' ' ' CYS . . . . . 0.585 ' SG ' ' CE1' ' A' ' 144' ' ' TYR . 11.1 m -84.83 -13.27 51.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 108.331 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -58.52 -30.14 66.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.336 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.376 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.704 ' HE1' HD21 ' A' ' 20' ' ' LEU . 2.2 ttt . . . . . 0 N--CA 1.454 -0.254 0 CA-C-O 120.539 0.209 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 -79.91 156.68 27.17 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.463 1.102 . . . . 0.0 110.298 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.47 -37.19 3.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.172 . . . . 0.0 110.922 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.2 ttpt -54.83 -47.49 74.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -56.79 -58.74 6.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.783 ' HA ' HD12 ' A' ' 23' ' ' ILE . 6.0 mt -53.11 -39.27 63.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -58.82 6.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.79 -38.33 64.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.147 . . . . 0.0 109.264 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.783 HD12 ' HA ' ' A' ' 20' ' ' LEU . 37.5 mt -57.34 -53.36 44.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.149 . . . . 0.0 109.338 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -48.56 -32.38 7.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.346 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.64 -70.95 0.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.572 ' CD ' HG23 ' A' ' 40' ' ' THR . 12.7 pt-20 -46.58 -27.33 1.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 110.319 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.544 HG13 ' CD1' ' A' ' 37' ' ' PHE . 23.9 t -79.07 -51.96 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.257 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.5 p -46.93 -27.23 1.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 109.959 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -72.21 -46.83 54.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.268 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.746 ' HB1' ' HB3' ' A' ' 36' ' ' GLN . . . -44.84 167.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.444 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -98.93 163.03 19.57 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.444 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.5 Cg_endo -74.93 126.17 9.84 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.564 1.823 . . . . 0.0 111.02 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.32 43.59 97.2 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.434 1.084 . . . . 0.0 111.042 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.6 m -129.1 156.65 77.86 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.455 0.738 . . . . 0.0 110.036 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 49.32 2.23 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.49 1.784 . . . . 0.0 110.96 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.746 ' HB3' ' HB1' ' A' ' 30' ' ' ALA . 9.7 tp60 -121.68 -52.94 2.0 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.535 1.147 . . . . 0.0 110.271 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.826 ' CE1' HD11 ' A' ' 41' ' ' ILE . 3.5 t80 -60.05 -59.13 5.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 0.0 110.989 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.405 ' SD ' ' HB2' ' A' ' 122' ' ' ALA . 4.1 tpt -48.33 -40.61 25.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -58.19 -41.66 84.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.572 HG23 ' CD ' ' A' ' 26' ' ' GLU . 29.1 m -63.46 -24.49 67.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.356 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.826 HD11 ' CE1' ' A' ' 37' ' ' PHE . 16.6 mm -71.5 -39.38 70.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.565 ' HA ' HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -70.47 -33.34 71.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 0.0 110.354 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.435 ' O ' ' CG ' ' A' ' 47' ' ' GLN . 54.7 tp -65.14 -32.44 74.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.439 ' HB1' ' CZ ' ' A' ' 48' ' ' PHE . . . -85.5 -44.15 12.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.054 HG11 HD11 ' A' ' 118' ' ' LEU . 0.3 OUTLIER -68.84 -8.5 10.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.3 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.409 ' CB ' ' O ' ' A' ' 42' ' ' ARG . 1.2 tt0 -110.62 -27.79 8.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 110.352 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.435 ' CG ' ' O ' ' A' ' 43' ' ' LEU . 26.8 mt-30 -66.64 -65.44 0.68 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 110.319 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.562 ' CE1' ' HG3' ' A' ' 15' ' ' MET . 17.5 p90 -113.82 -30.45 6.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.168 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 74.32 96.1 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.456 ' HD2' HG23 ' A' ' 45' ' ' VAL . 18.2 Cg_endo -74.98 148.67 35.69 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.49 1.784 . . . . 0.0 110.991 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.3 p -82.71 -176.27 6.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.365 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.68 -50.7 62.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -56.5 -57.47 12.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.438 ' CB ' ' HB2' ' A' ' 50' ' ' PRO . 90.4 m-20 -50.46 -37.1 36.52 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.557 1.161 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.965 HD13 ' CG ' ' A' ' 117' ' ' TRP . 13.0 mt -67.31 -45.93 75.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.221 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -56.46 -52.7 63.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.349 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -64.26 -41.26 97.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 19.3 tp -62.46 -24.27 67.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.351 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.493 HD23 ' CE1' ' A' ' 72' ' ' HIS . 32.2 tp -71.43 -43.53 66.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -79.9 -21.25 44.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.584 1.178 . . . . 0.0 110.28 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -66.18 -57.84 6.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 111.033 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.637 HD13 ' HE1' ' A' ' 37' ' ' PHE . 23.1 mt -98.89 -67.37 0.85 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.347 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.476 ' SG ' ' CG1' ' A' ' 67' ' ' VAL . 0.8 OUTLIER -49.65 148.27 3.06 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.461 1.1 . . . . 0.0 108.289 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.4 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.5 OUTLIER -86.28 156.98 20.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.013 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.773 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 0.5 OUTLIER -39.71 -75.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.047 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.1 tp -44.52 -64.41 0.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.328 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.49 HG13 HD13 ' A' ' 124' ' ' LEU . 1.2 t -41.23 -32.87 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.773 ' HB3' ' O ' ' A' ' 65' ' ' SER . . . -68.03 -64.11 0.93 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 59.6 p -42.87 -37.1 1.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.995 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.452 ' O ' ' NE2' ' A' ' 74' ' ' GLN . 14.0 mt -62.55 -47.52 83.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.345 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.648 ' CE1' ' HB3' ' A' ' 120' ' ' ALA . 3.4 t60 -63.65 -36.69 84.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.601 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.493 ' CE1' HD23 ' A' ' 59' ' ' LEU . 38.7 m80 -52.72 -49.44 65.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.589 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.46 -37.89 87.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.452 ' NE2' ' O ' ' A' ' 70' ' ' LEU . 5.6 mt-30 -58.02 -51.47 69.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.366 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.581 HD22 HD21 ' A' ' 116' ' ' LEU . 3.0 mt -66.31 -36.56 83.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -60.57 -37.13 80.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 42.2 t -81.03 -40.65 23.91 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.423 1.077 . . . . 0.0 110.025 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.702 HD23 ' CG ' ' A' ' 116' ' ' LEU . 5.2 tp -59.35 -61.86 2.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.224 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 2.5 mt -56.07 -43.81 76.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.3 m -48.75 -31.79 7.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.955 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -76.97 -34.16 57.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 110.265 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.831 ' HB1' HG12 ' A' ' 87' ' ' ILE . . . -66.55 -60.28 2.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.31 -28.65 55.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.288 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.9 m -76.01 -47.76 23.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 110.46 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -77.12 -1.31 28.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.113 . . . . 0.0 110.296 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 76.42 96.05 0.17 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.524 1.14 . . . . 0.0 110.972 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.926 HG21 HD11 ' A' ' 109' ' ' LEU . 32.4 mt -64.63 155.01 6.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.753 . . . . 0.0 109.307 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.633 HG23 ' H ' ' A' ' 89' ' ' GLY . 0.1 OUTLIER -35.3 -83.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.534 1.146 . . . . 0.0 110.424 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.633 ' H ' HG23 ' A' ' 88' ' ' THR . . . -129.47 58.81 0.7 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.436 1.085 . . . . 0.0 111.014 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.415 ' CB ' ' HB ' ' A' ' 87' ' ' ILE . 12.3 t80 -81.34 152.48 27.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 0.761 . . . . 0.0 111.074 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -108.35 127.26 27.84 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.432 1.083 . . . . 0.0 109.266 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.18 0 O-C-N 124.465 1.771 . . . . 0.0 110.996 179.943 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.897 0 N-CA-C 110.995 -0.425 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.868 HD11 HD22 ' A' ' 109' ' ' LEU . 0.3 OUTLIER -47.45 -37.96 12.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.539 1.149 . . . . 0.0 109.321 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.458 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 25.8 ptt180 -48.55 -37.84 18.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.272 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.432 ' N ' ' HG3' ' A' ' 98' ' ' ARG . 37.2 t -64.45 -34.95 72.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.35 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 97' ' ' LEU . 44.4 mt-30 -72.4 -42.67 64.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.421 1.076 . . . . 0.0 110.273 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.1 -24.51 66.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.272 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 98' ' ' ARG . 28.0 p30 -118.69 32.78 5.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.401 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 5.9 m-20 -102.49 137.61 19.43 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 48.86 2.09 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.483 1.781 . . . . 0.0 111.032 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.435 ' CG ' ' N ' ' A' ' 106' ' ' GLN . 8.4 pt20 -156.76 -43.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.266 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.435 ' N ' ' CG ' ' A' ' 105' ' ' GLN . 13.2 mm100 -79.63 116.43 19.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 0.0 110.266 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -114.69 -33.38 5.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -67.9 -55.74 13.04 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.554 1.159 . . . . 0.0 111.013 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.926 HD11 HG21 ' A' ' 87' ' ' ILE . 0.2 OUTLIER -66.74 -36.09 81.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 0.756 . . . . 0.0 109.289 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.51 -48.65 62.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.301 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -70.04 -59.77 2.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.365 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 113' ' ' TYR . 0.1 OUTLIER -44.66 -33.28 1.77 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.211 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.773 ' HE1' HD12 ' A' ' 55' ' ' LEU . 29.8 t80 -68.47 -47.72 66.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.942 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -50.45 -50.08 53.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.53 -50.9 56.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.399 1.062 . . . . 0.0 110.323 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.768 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 0.0 OUTLIER -48.36 -39.59 22.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.965 ' CG ' HD13 ' A' ' 55' ' ' LEU . 34.8 t90 -60.04 -61.82 2.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.533 1.146 . . . . 0.0 108.025 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 1.054 HD11 HG11 ' A' ' 45' ' ' VAL . 98.5 mt -44.68 -28.58 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.261 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.768 ' HB3' ' O ' ' A' ' 116' ' ' LEU . . . -62.3 -62.91 1.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.648 ' HB3' ' CE1' ' A' ' 71' ' ' HIS . . . -56.27 -35.43 67.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.586 1.179 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -67.33 -32.04 72.73 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.528 1.142 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.405 ' HB2' ' SD ' ' A' ' 38' ' ' MET . . . -97.31 7.04 47.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.429 ' HB3' ' OE1' ' A' ' 74' ' ' GLN . . . -101.12 1.62 39.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.371 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.49 HD13 HG13 ' A' ' 67' ' ' VAL . 91.3 mt -76.17 150.84 83.38 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.463 1.77 . . . . 0.0 110.916 -179.953 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.892 0 N-CA-C 111.018 -0.416 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 9.5 m -74.86 -24.24 58.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.11 . . . . 0.0 109.96 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.676 ' HE3' HD21 ' A' ' 172' ' ' LEU . 28.4 p-90 -74.43 -21.25 59.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 108.017 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -70.51 -7.65 45.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.34 26.37 6.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.171 . . . . 0.0 109.963 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.484 HG22 ' HE1' ' A' ' 147' ' ' PHE . 30.1 mt -125.02 125.01 68.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.477 ' N ' HD12 ' A' ' 137' ' ' LEU . 0.0 OUTLIER -145.52 154.28 42.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 138' ' ' GLN . . . . . 0.468 ' NE2' ' O ' ' A' ' 139' ' ' GLY . 0.1 OUTLIER -73.12 120.24 18.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.301 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 139' ' ' GLY . . . . . 0.474 ' CA ' ' HB2' ' A' ' 142' ' ' GLU . . . -80.18 149.56 31.02 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.426 HD22 ' HA ' ' A' ' 140' ' ' LEU . 0.9 OUTLIER -51.5 -47.28 63.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 109.294 179.913 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -110.37 40.37 1.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.474 ' HB2' ' CA ' ' A' ' 139' ' ' GLY . 5.5 mt-10 -114.35 168.66 7.63 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.333 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 143' ' ' PRO . . . . . 0.905 ' HB2' ' HB3' ' A' ' 146' ' ' ALA . 18.2 Cg_endo -75.08 115.37 4.25 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.502 1.791 . . . . 0.0 110.96 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 144' ' ' TYR . . . . . 0.891 ' O ' HG23 ' A' ' 148' ' ' VAL . 1.9 t80 -69.27 -55.57 10.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.16 -58.09 10.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.59 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.905 ' HB3' ' HB2' ' A' ' 143' ' ' PRO . . . -50.61 -50.83 53.07 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 147' ' ' PHE . . . . . 0.496 ' CB ' ' O ' ' A' ' 143' ' ' PRO . 7.1 t80 -47.65 -42.18 23.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.891 HG23 ' O ' ' A' ' 144' ' ' TYR . 18.2 t -65.88 -47.62 84.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 149' ' ' GLU . . . . . 0.409 ' O ' HD12 ' A' ' 153' ' ' ILE . 0.4 OUTLIER -53.14 -54.85 29.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -58.62 -49.22 78.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.608 1.192 . . . . 0.0 110.282 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.808 ' O ' HD12 ' A' ' 155' ' ' LEU . 0.6 OUTLIER -43.54 -38.92 3.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -66.36 -48.35 70.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.167 . . . . 0.0 109.366 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 153' ' ' ILE . . . . . 0.409 HD12 ' O ' ' A' ' 149' ' ' GLU . 1.3 mp -62.24 -67.62 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -41.3 -34.8 0.54 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 0.808 HD12 ' O ' ' A' ' 151' ' ' LEU . 2.3 mt -66.69 -64.31 0.88 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -46.71 -23.3 0.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 157' ' ' ASN . . . . . 0.427 ' N ' ' C ' ' A' ' 155' ' ' LEU . 0.8 OUTLIER -72.77 -31.8 65.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.25 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 158' ' ' GLY . . . . . 0.568 ' N ' ' O ' ' A' ' 155' ' ' LEU . . . -140.7 56.55 0.6 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.672 HD23 HD23 ' A' ' 155' ' ' LEU . 0.2 OUTLIER -145.93 107.32 4.27 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 109.33 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 159.31 41.4 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.444 1.76 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -66.83 -42.99 84.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.297 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -46.64 -28.98 3.87 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 163' ' ' THR . . . . . 0.521 HG23 ' HD2' ' A' ' 164' ' ' PRO . 1.3 m -110.5 141.27 23.63 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.552 0.795 . . . . 0.0 110.424 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 164' ' ' PRO . . . . . 0.521 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.3 Cg_endo -75.1 142.09 27.13 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 165' ' ' LYS . . . . . 0.495 ' HB2' HD12 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -111.7 -28.46 8.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 109.236 -179.904 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 166' ' ' ASP . . . . . 0.554 ' N ' ' CD ' ' A' ' 167' ' ' PRO . 0.0 OUTLIER -49.36 -49.82 68.57 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.377 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 167' ' ' PRO . . . . . 0.554 ' CD ' ' N ' ' A' ' 166' ' ' ASP . 18.4 Cg_endo -75.03 -44.76 0.31 Allowed 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.498 1.788 . . . . 0.0 111.01 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 168' ' ' ILE . . . . . 0.44 ' CG2' ' CD2' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -54.22 -44.96 66.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 169' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' A' ' 151' ' ' LEU . 36.2 tp -53.94 -57.06 12.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 170' ' ' ARG . . . . . 0.419 ' CZ ' ' HA ' ' A' ' 192' ' ' ASN . 3.7 ttp180 -57.14 -45.15 83.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.414 1.071 . . . . 0.0 110.327 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 171' ' ' SER . . . . . 0.47 ' O ' ' CB ' ' A' ' 175' ' ' SER . 0.1 OUTLIER -62.3 -20.96 64.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.028 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.676 HD21 ' HE3' ' A' ' 133' ' ' TRP . 17.1 mt -86.99 -39.15 15.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.583 1.177 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -71.02 -7.72 48.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 174' ' ' TYR . . . . . 0.449 ' OH ' ' NE2' ' A' ' 186' ' ' GLN . 20.7 t80 -116.0 -63.12 1.5 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.426 1.079 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 175' ' ' SER . . . . . 0.47 ' CB ' ' O ' ' A' ' 171' ' ' SER . 19.8 m -50.0 -44.49 51.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.025 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 176' ' ' ASN . . . . . 0.466 ' HB3' ' CB ' ' A' ' 137' ' ' LEU . 4.7 m-80 -105.13 65.23 0.73 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 177' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 178' ' ' ASN . . . -138.77 141.61 38.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 178' ' ' ASN . . . . . 0.473 ' ND2' ' H ' ' A' ' 181' ' ' CYS . 15.6 p-10 -53.32 -173.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -78.95 -55.59 5.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.0 -36.45 3.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 181' ' ' CYS . . . . . 0.473 ' H ' ' ND2' ' A' ' 178' ' ' ASN . 11.1 t -71.8 -71.7 0.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 108.352 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 182' ' ' GLN . . . . . 0.442 ' NE2' ' CE1' ' A' ' 174' ' ' TYR . 2.5 mt-30 -40.64 -38.11 0.83 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 0.0 110.255 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.65 -46.11 55.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.579 1.175 . . . . 0.0 109.339 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.696 ' C ' HD23 ' A' ' 184' ' ' LEU . 3.0 tt -55.82 -53.0 62.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 185' ' ' LEU . . . . . 0.924 HD11 ' SD ' ' A' ' 198' ' ' MET . 10.7 mt -49.31 -50.17 40.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.252 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 186' ' ' GLN . . . . . 0.449 ' NE2' ' OH ' ' A' ' 174' ' ' TYR . 0.5 OUTLIER -59.51 -60.75 3.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.337 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -49.71 -45.93 49.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 188' ' ' ARG . . . . . 0.512 ' HD2' ' HB1' ' A' ' 201' ' ' ALA . 1.2 tpm_? -49.44 -48.23 47.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 110.36 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 109.14 44.44 1.09 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.554 1.159 . . . . 0.0 111.051 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 190' ' ' HIS . . . . . 0.54 ' CD2' ' HB3' ' A' ' 197' ' ' ASP . 0.0 OUTLIER -174.18 117.09 0.22 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.409 0.711 . . . . 0.0 109.604 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 2.0 p -120.45 -54.66 2.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 110.364 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 192' ' ' ASN . . . . . 0.419 ' HA ' ' CZ ' ' A' ' 170' ' ' ARG . 3.7 m-80 -92.39 43.88 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 193' ' ' SER . . . . . 0.47 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.2 OUTLIER -104.38 176.83 1.59 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.026 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 194' ' ' PRO . . . . . 0.47 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.5 Cg_endo -74.98 144.83 30.81 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.555 1.818 . . . . 0.0 111.049 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 195' ' ' LEU . . . . . 0.718 HD21 ' CG1' ' A' ' 148' ' ' VAL . 3.8 tp -41.89 -37.89 1.41 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -46.98 -40.1 12.26 Favored Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.58 1.175 . . . . 0.0 110.989 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 197' ' ' ASP . . . . . 0.54 ' HB3' ' CD2' ' A' ' 190' ' ' HIS . 1.0 OUTLIER -77.6 -38.35 48.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 0.779 . . . . 0.0 109.3 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 198' ' ' MET . . . . . 0.924 ' SD ' HD11 ' A' ' 185' ' ' LEU . 36.4 tpp -53.31 -51.46 62.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 199' ' ' LEU . . . . . 0.517 HD21 HG11 ' A' ' 148' ' ' VAL . 3.2 mm? -68.99 -29.08 67.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.51 -7.57 56.45 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.532 1.145 . . . . 0.0 110.336 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 201' ' ' ALA . . . . . 0.512 ' HB1' ' HD2' ' A' ' 188' ' ' ARG . . . -97.24 -41.14 8.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.583 1.177 . . . . 0.0 109.349 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 202' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 204' ' ' THR . 20.3 p -79.62 -24.06 42.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 108.334 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 203' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 202' ' ' CYS . 15.6 pt20 -37.62 -31.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 204' ' ' THR . . . . . 0.455 ' N ' ' O ' ' A' ' 202' ' ' CYS . 4.6 t . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.454 1.096 . . . . 0.0 110.384 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.589 ' SD ' ' CZ ' ' A' ' 48' ' ' PHE . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.544 0.211 . . . . 0.0 110.981 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.5 pm0 -102.4 159.26 15.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 110.286 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -43.17 -27.34 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.22 -48.78 72.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.361 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -57.88 -59.52 5.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.58 ' CD2' HD13 ' A' ' 58' ' ' LEU . 33.1 mt -46.64 -43.82 17.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -57.01 -58.69 7.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.77 -43.65 69.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.348 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.427 ' HA ' ' CG ' ' A' ' 26' ' ' GLU . 91.2 mt -56.51 -58.16 6.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.464 ' HA ' HD21 ' A' ' 62' ' ' LEU . 1.1 ttmt -45.08 -30.77 1.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -72.69 -69.85 0.38 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.557 ' CD ' HG23 ' A' ' 40' ' ' THR . 4.7 pt-20 -48.75 -23.02 0.91 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 0.0 110.266 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.738 HG23 HG21 ' A' ' 40' ' ' THR . 36.2 t -82.96 -39.29 15.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.532 1.145 . . . . 0.0 109.26 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.26 -26.39 67.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.979 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.67 -34.75 52.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 110.306 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.588 ' HB1' ' HB3' ' A' ' 36' ' ' GLN . . . -52.37 166.71 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.457 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -110.19 162.98 18.29 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.457 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.4 Cg_endo -74.93 116.6 4.64 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.612 1.848 . . . . 0.0 111.034 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.17 42.93 11.24 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.528 1.143 . . . . 0.0 111.026 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.2 m -135.51 151.04 73.88 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.469 0.747 . . . . 0.0 109.926 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 50.76 2.61 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.555 1.818 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.588 ' HB3' ' HB1' ' A' ' 30' ' ' ALA . 0.5 OUTLIER -121.32 -46.16 2.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.319 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -68.51 -65.25 0.72 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.447 ' HE1' HD22 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -50.33 -48.3 55.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.379 1.05 . . . . 0.0 111.054 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -51.68 -46.93 64.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.738 HG21 HG23 ' A' ' 27' ' ' VAL . 1.0 OUTLIER -55.42 -30.64 60.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.424 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.74 HG22 HD21 ' A' ' 118' ' ' LEU . 2.7 mm -72.8 -32.11 39.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.455 ' HD2' HD13 ' A' ' 118' ' ' LEU . 6.1 mmm180 -80.76 -30.31 36.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.273 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.8 tp -71.04 -33.99 70.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.576 1.172 . . . . 0.0 109.272 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.45 ' HB1' ' CZ ' ' A' ' 48' ' ' PHE . . . -75.43 -38.66 59.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.265 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.2 t -69.37 -17.15 21.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.324 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -102.29 -22.61 14.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.416 ' CA ' ' OE1' ' A' ' 47' ' ' GLN . 0.3 OUTLIER -69.96 -68.45 0.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 110.312 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.589 ' CZ ' ' SD ' ' A' ' 15' ' ' MET . 8.7 p90 -114.21 -33.22 5.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' A' ' 48' ' ' PHE . 0.5 OUTLIER 81.75 94.9 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 109.261 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 120.6 6.12 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.521 1.8 . . . . 0.0 111.004 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.6 p -59.21 -175.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.387 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.78 -45.12 95.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -55.94 -55.27 34.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -52.88 -52.93 55.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.257 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 1.076 HD13 ' CG ' ' A' ' 117' ' ' TRP . 17.4 mt -48.39 -38.74 20.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.1 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.64 -57.88 10.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 110.318 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.424 ' C ' ' N ' ' A' ' 59' ' ' LEU . 44.8 t0 -63.4 -55.29 25.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.58 HD13 ' CD2' ' A' ' 20' ' ' LEU . 34.6 tp -42.6 -28.3 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.424 ' N ' ' C ' ' A' ' 57' ' ' ASP . 19.8 tp -73.34 -51.91 15.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.487 ' OE1' ' CB ' ' A' ' 68' ' ' ALA . 1.1 tp-100 -87.94 22.45 2.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 88.5 t80 -120.05 -31.99 4.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.94 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.529 HD23 ' HA ' ' A' ' 62' ' ' LEU . 8.4 mt -101.67 -63.84 1.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.35 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 28.4 p -88.69 162.07 16.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.082 . . . . 0.0 108.371 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.69 -160.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.02 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.43 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 46.7 t -85.71 -43.5 13.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 110.059 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.3 tp -49.52 -71.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -46.96 -46.54 8.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.228 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.487 ' CB ' ' OE1' ' A' ' 60' ' ' GLN . . . -48.8 -46.16 41.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.3 p -67.07 -43.08 83.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.585 1.178 . . . . 0.0 110.01 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 71.1 mt -54.99 -51.48 66.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.337 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.811 ' CD2' ' HB3' ' A' ' 120' ' ' ALA . 0.0 OUTLIER -53.79 -46.5 71.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.558 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -19.42 43.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.604 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -73.33 -66.24 0.71 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.331 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.38 -27.19 69.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.731 HD13 ' O ' ' A' ' 75' ' ' LEU . 1.9 tm? -71.72 -32.72 68.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 109.233 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -66.57 -50.04 64.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 109.297 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.62 -47.86 83.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 110.016 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.72 HD23 ' HG ' ' A' ' 116' ' ' LEU . 24.3 tp -49.39 -49.28 45.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.603 HD12 HD13 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -56.26 -48.82 78.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.9 t -46.29 -29.24 1.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.08 . . . . 0.0 109.996 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -77.04 -38.89 51.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.304 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.761 ' HB1' HG12 ' A' ' 87' ' ' ILE . . . -65.16 -61.06 2.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -52.06 -33.93 41.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.226 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.5 m -63.04 -42.46 99.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 110.418 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -81.14 -0.52 40.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.258 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 87' ' ' ILE . . . 84.04 -11.23 58.16 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.427 1.079 . . . . 0.0 110.958 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.873 HG21 HD11 ' A' ' 109' ' ' LEU . 38.5 mt 59.73 154.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 0.767 . . . . 0.0 109.317 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.656 HG23 ' H ' ' A' ' 89' ' ' GLY . 0.1 OUTLIER -36.42 -82.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.426 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.656 ' H ' HG23 ' A' ' 88' ' ' THR . . . -131.51 57.48 0.72 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.538 1.149 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.454 ' CB ' ' HB ' ' A' ' 87' ' ' ILE . 84.1 t80 -86.07 143.53 28.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.612 0.831 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.411 ' O ' ' NE2' ' A' ' 100' ' ' GLN . 0.5 OUTLIER -110.49 99.75 42.23 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.499 1.789 . . . . 0.0 110.943 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.887 0 N-CA-C 110.999 -0.424 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 100' ' ' GLN . 14.0 tp -119.99 -53.82 2.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.457 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 0.0 OUTLIER -49.57 -33.05 13.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.348 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 15.4 t -62.3 -28.18 44.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.428 1.08 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 97' ' ' LEU . 10.7 mm-40 -82.37 -32.83 29.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.395 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.456 ' HB2' ' CD2' ' A' ' 113' ' ' TYR . . . -71.25 -44.76 64.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 98' ' ' ARG . 24.0 p30 -94.94 32.09 1.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -105.4 124.24 37.0 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.167 . . . . 0.0 109.283 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -16.98 19.81 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.477 1.777 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -73.43 -16.18 61.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -149.64 79.73 1.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.259 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -69.05 -8.74 47.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 110.293 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -61.88 -57.69 16.28 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.873 HD11 HG21 ' A' ' 87' ' ' ILE . 0.4 OUTLIER -67.33 -29.74 69.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 0.805 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -55.36 -43.59 75.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -72.94 -43.32 62.48 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.477 1.11 . . . . 0.0 110.272 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -57.69 -40.18 78.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.257 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.456 ' CD2' ' HB2' ' A' ' 101' ' ' ALA . 26.4 t80 -65.94 -40.87 91.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -57.93 -42.46 84.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 110.318 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -76.22 -45.27 33.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 110.333 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.72 ' HG ' HD23 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -56.18 -36.4 68.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 1.076 ' CG ' HD13 ' A' ' 55' ' ' LEU . 90.5 t90 -67.09 -47.4 71.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 107.97 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.74 HD21 HG22 ' A' ' 41' ' ' ILE . 84.4 mt -60.15 -33.05 71.63 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.477 1.11 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 116' ' ' LEU . . . -58.44 -48.01 82.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.811 ' HB3' ' CD2' ' A' ' 71' ' ' HIS . . . -67.24 -30.42 70.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.535 ' CE1' ' CZ2' ' A' ' 117' ' ' TRP . 0.4 OUTLIER -72.19 -17.77 61.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.425 1.078 . . . . 0.0 111.031 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -117.64 6.71 12.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -99.32 -1.73 38.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 77.2 mt -63.02 151.14 86.79 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.27 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.132 0 O-C-N 124.541 1.811 . . . . 0.0 111.021 179.99 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 131' ' ' PRO . . . . . 0.455 ' O ' ' HB3' ' A' ' 134' ' ' ALA . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.896 0 N-CA-C 111.004 -0.422 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.5 m -74.36 -29.44 61.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.989 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.857 ' HA ' HD12 ' A' ' 136' ' ' ILE . 13.2 p-90 -70.87 -10.12 58.99 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 131' ' ' PRO . . . -68.61 -11.14 59.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.579 1.174 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 24.7 m -129.84 28.95 5.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.048 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.857 HD12 ' HA ' ' A' ' 133' ' ' TRP . 39.6 mt -117.23 118.36 58.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.504 HD23 ' HA ' ' A' ' 176' ' ' ASN . 0.0 OUTLIER -138.12 146.85 43.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 138' ' ' GLN . . . . . 0.608 ' OE1' ' CD2' ' A' ' 144' ' ' TYR . 0.3 OUTLIER -66.74 127.12 31.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.31 -179.907 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 139' ' ' GLY . . . . . 0.434 ' O ' ' NE2' ' A' ' 138' ' ' GLN . . . -91.26 135.76 12.97 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.627 HD22 ' OD1' ' A' ' 178' ' ' ASN . 0.0 OUTLIER -49.38 -42.69 42.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 0.0 109.342 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -95.83 38.16 1.18 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -136.28 159.98 68.7 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.42 1.075 . . . . 0.0 110.269 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' PRO . . . . . 0.526 ' HB2' ' HB3' ' A' ' 146' ' ' ALA . 18.3 Cg_endo -75.02 116.61 4.64 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.469 1.773 . . . . 0.0 111.031 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 144' ' ' TYR . . . . . 0.773 ' O ' HG23 ' A' ' 148' ' ' VAL . 0.4 OUTLIER -66.35 -54.58 22.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.408 1.067 . . . . 0.0 111.044 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 145' ' ' HIS . . . . . 0.468 ' HA ' ' CD1' ' A' ' 199' ' ' LEU . 0.2 OUTLIER -52.9 -47.61 67.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.553 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.526 ' HB3' ' HB2' ' A' ' 143' ' ' PRO . . . -62.53 -41.14 98.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.09 . . . . 0.0 109.335 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 147' ' ' PHE . . . . . 0.574 ' CE2' ' HB2' ' A' ' 138' ' ' GLN . 3.1 t80 -61.53 -50.28 73.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.773 HG23 ' O ' ' A' ' 144' ' ' TYR . 46.0 t -48.98 -40.76 12.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.118 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -66.44 -65.06 0.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.407 1.067 . . . . 0.0 110.367 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 150' ' ' ARG . . . . . 0.49 ' HA ' HD12 ' A' ' 153' ' ' ILE . 0.6 OUTLIER -45.59 -37.98 6.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.72 HD11 ' HB3' ' A' ' 172' ' ' LEU . 0.2 OUTLIER -59.78 -47.78 84.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 -64.84 -37.34 87.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.35 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 153' ' ' ILE . . . . . 0.49 HD12 ' HA ' ' A' ' 150' ' ' ARG . 26.1 mt -62.33 -57.61 11.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.38 1.05 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -56.03 -21.61 22.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.575 1.172 . . . . 0.0 109.35 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 0.765 HD23 HD23 ' A' ' 159' ' ' LEU . 5.8 mt -86.28 -20.73 27.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -83.57 -13.03 55.36 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -113.14 -9.6 13.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.226 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -121.94 -43.91 0.39 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.453 1.096 . . . . 0.0 111.019 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.765 HD23 HD23 ' A' ' 155' ' ' LEU . 0.2 OUTLIER -79.85 114.42 46.03 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.486 0.756 . . . . 0.0 109.29 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 160' ' ' PRO . . . . . 0.56 ' HD2' HD13 ' A' ' 159' ' ' LEU . 18.3 Cg_endo -75.15 174.16 13.27 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.473 1.775 . . . . 0.0 110.958 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.53 -17.97 46.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 110.268 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -82.34 1.69 86.74 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.489 1.118 . . . . 0.0 111.035 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 163' ' ' THR . . . . . 0.738 HG23 ' HD2' ' A' ' 164' ' ' PRO . 2.9 m -129.0 146.16 59.57 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.494 0.761 . . . . 0.0 110.424 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 164' ' ' PRO . . . . . 0.738 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.1 Cg_endo -75.05 113.63 3.84 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.504 1.792 . . . . 0.0 110.952 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 165' ' ' LYS . . . . . 0.546 ' HB2' HD12 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -101.67 -32.35 10.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 166' ' ' ASP . . . . . 0.518 ' CB ' ' HD3' ' A' ' 167' ' ' PRO . 0.2 OUTLIER -43.11 -53.67 10.32 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 -179.894 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 167' ' ' PRO . . . . . 0.518 ' HD3' ' CB ' ' A' ' 166' ' ' ASP . 18.4 Cg_endo -74.94 -50.02 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.498 1.788 . . . . 0.0 111.065 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 168' ' ' ILE . . . . . 0.536 ' CD1' HD21 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -45.4 -39.81 2.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 21.4 tp -59.24 -64.08 1.07 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.15 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 170' ' ' ARG . . . . . 0.434 ' CD ' ' O ' ' A' ' 166' ' ' ASP . 9.7 mpt_? -51.39 -34.91 36.43 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 0.0 110.301 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.29 -29.63 65.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.081 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.72 ' HB3' HD11 ' A' ' 151' ' ' LEU . 5.2 mt -79.03 -45.52 20.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.357 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 173' ' ' ALA . . . . . 0.671 ' O ' ' HB2' ' A' ' 177' ' ' ALA . . . -70.58 -9.95 58.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 109.236 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 174' ' ' TYR . . . . . 0.428 ' O ' ' CG ' ' A' ' 182' ' ' GLN . 61.1 t80 -99.02 -69.08 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.654 1.221 . . . . 0.0 111.027 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.63 -49.43 77.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 110.06 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 176' ' ' ASN . . . . . 0.504 ' HA ' HD23 ' A' ' 137' ' ' LEU . 0.9 OUTLIER -89.61 57.06 3.78 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.45 1.094 . . . . 0.0 109.326 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 177' ' ' ALA . . . . . 0.671 ' HB2' ' O ' ' A' ' 173' ' ' ALA . . . -133.68 139.88 46.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.237 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 178' ' ' ASN . . . . . 0.627 ' OD1' HD22 ' A' ' 140' ' ' LEU . 14.8 t30 -40.06 158.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.451 ' N ' ' OD1' ' A' ' 178' ' ' ASN . 0.3 OUTLIER -64.57 -42.77 95.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 180' ' ' GLU . . . . . 0.424 ' HB3' ' ND2' ' A' ' 178' ' ' ASN . 0.5 OUTLIER -68.5 -23.32 64.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.265 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 181' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 184' ' ' LEU . 39.4 m -79.47 -64.13 1.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 108.261 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 182' ' ' GLN . . . . . 0.428 ' CG ' ' O ' ' A' ' 174' ' ' TYR . 1.6 mt-30 -41.43 -33.52 0.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.241 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -75.22 -47.18 29.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.265 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.753 HD23 ' O ' ' A' ' 184' ' ' LEU . 1.5 tt -52.3 -33.67 43.26 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.579 1.175 . . . . 0.0 109.334 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 185' ' ' LEU . . . . . 0.922 HD11 ' SD ' ' A' ' 198' ' ' MET . 6.0 mt -68.67 -63.14 1.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.086 . . . . 0.0 109.308 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 186' ' ' GLN . . . . . 0.77 ' OE1' HG21 ' A' ' 191' ' ' THR . 1.9 mm100 -50.06 -52.75 31.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.288 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -50.62 -50.04 55.19 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.468 1.105 . . . . 0.0 109.241 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 188' ' ' ARG . . . . . 0.474 ' HG3' ' CD2' ' A' ' 184' ' ' LEU . 0.2 OUTLIER -57.91 -17.66 18.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 61.29 44.29 98.27 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.467 1.104 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 190' ' ' HIS . . . . . 0.75 ' NE2' HD23 ' A' ' 185' ' ' LEU . 1.0 OUTLIER -139.5 36.85 2.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.758 . . . . 0.0 109.549 -179.899 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 191' ' ' THR . . . . . 0.77 HG21 ' OE1' ' A' ' 186' ' ' GLN . 0.8 OUTLIER -60.31 -46.3 90.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.392 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -91.77 63.8 4.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.241 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 193' ' ' SER . . . . . 0.438 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.4 OUTLIER -137.19 175.39 3.51 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.032 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 194' ' ' PRO . . . . . 0.438 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.5 Cg_endo -74.98 -174.28 1.87 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.509 1.794 . . . . 0.0 110.993 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 195' ' ' LEU . . . . . 0.707 HD21 HG12 ' A' ' 148' ' ' VAL . 8.8 tp -75.67 -42.36 51.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -43.92 -36.31 3.7 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.487 1.117 . . . . 0.0 111.036 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 197' ' ' ASP . . . . . 0.491 ' HB3' ' CE1' ' A' ' 190' ' ' HIS . 16.7 t0 -78.17 -36.05 47.99 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.497 0.763 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 198' ' ' MET . . . . . 0.922 ' SD ' HD11 ' A' ' 185' ' ' LEU . 44.6 tpp -57.43 -32.94 67.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.985 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 199' ' ' LEU . . . . . 0.468 ' CD1' ' HA ' ' A' ' 145' ' ' HIS . 2.0 mm? -83.03 -31.05 27.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 9.9 mtp180 -75.4 -8.96 58.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -100.92 -32.4 10.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.345 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 202' ' ' CYS . . . . . 0.567 ' HB2' ' CD2' ' A' ' 144' ' ' TYR . 9.3 p -87.6 -16.35 34.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 108.289 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 203' ' ' GLN . . . . . 0.421 ' HG3' ' N ' ' A' ' 204' ' ' THR . 11.8 pt20 -53.05 -42.38 65.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.363 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 204' ' ' THR . . . . . 0.421 ' N ' ' HG3' ' A' ' 203' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 110.415 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.68 ' HE1' HD21 ' A' ' 20' ' ' LEU . 2.9 ttt . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.499 0.19 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.446 ' HG3' ' N ' ' A' ' 17' ' ' MET . 26.2 tp60 -79.8 145.44 32.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.142 . . . . 0.0 110.279 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.446 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -42.14 -39.91 2.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 110.978 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 pttp -58.09 -45.65 86.81 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.559 1.162 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 16' ' ' GLN . 13.5 m-20 -51.98 -49.1 63.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.792 ' HA ' HD12 ' A' ' 23' ' ' ILE . 6.4 mt -63.14 -29.01 70.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.443 ' NE2' ' O ' ' A' ' 17' ' ' MET . 1.0 OUTLIER -70.92 -48.93 50.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.7 -33.1 71.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.792 HD12 ' HA ' ' A' ' 20' ' ' LEU . 22.9 mt -66.94 -57.74 8.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 0.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.52 ' HA ' HD21 ' A' ' 62' ' ' LEU . 20.4 tttm -45.55 -26.26 0.56 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.42 ' N ' ' C ' ' A' ' 23' ' ' ILE . 0.6 OUTLIER -74.03 -67.96 0.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.284 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.694 ' CD ' HG23 ' A' ' 40' ' ' THR . 3.5 pt-20 -53.61 -21.19 6.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.333 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.555 HG13 ' CD1' ' A' ' 37' ' ' PHE . 45.1 t -80.86 -47.36 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.353 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.5 t -49.22 -33.33 12.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.982 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.44 -35.57 73.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 27' ' ' VAL . . . -48.73 167.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.736 ' HB3' ' HB2' ' A' ' 34' ' ' SER . . . -95.68 162.43 24.29 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.448 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.1 Cg_endo -75.03 107.42 2.48 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.508 1.794 . . . . 0.0 110.937 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 69.6 46.96 52.47 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.57 1.169 . . . . 0.0 111.037 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.736 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -126.9 160.07 61.07 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 109.961 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 48.91 2.11 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.535 1.808 . . . . 0.0 111.036 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -121.67 -51.85 2.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.272 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.708 ' CE1' HD11 ' A' ' 41' ' ' ILE . 5.2 t80 -58.93 -56.77 17.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.171 . . . . 0.0 110.964 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.44 ' CE ' HD22 ' A' ' 118' ' ' LEU . 2.9 tpt -51.03 -40.69 58.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.171 . . . . 0.0 111.013 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -57.75 -39.44 77.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.694 HG23 ' CD ' ' A' ' 26' ' ' GLU . 1.1 m -66.04 -26.41 67.5 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.571 1.169 . . . . 0.0 110.41 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.797 HG22 HD21 ' A' ' 118' ' ' LEU . 21.9 mm -67.92 -40.57 83.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.359 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.42 ' CD ' HD13 ' A' ' 118' ' ' LEU . 3.2 mpp_? -69.12 -34.44 75.05 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.493 1.121 . . . . 0.0 110.315 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 35.1 tp -63.35 -44.66 94.21 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.54 -50.78 41.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 109.253 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.821 HG11 HD11 ' A' ' 118' ' ' LEU . 0.3 OUTLIER -58.68 -17.27 10.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.474 1.109 . . . . 0.0 109.261 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -96.43 -22.46 17.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 110.318 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -69.34 -70.21 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.28 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.569 ' CZ ' ' HG3' ' A' ' 15' ' ' MET . 9.5 p90 -111.64 -34.57 6.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.085 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.513 ' CB ' ' O ' ' A' ' 48' ' ' PHE . 2.4 t70 82.94 91.72 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.271 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.61 ' HD2' HG23 ' A' ' 45' ' ' VAL . 18.3 Cg_endo -74.99 128.17 11.28 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.522 1.801 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.427 ' OG1' ' N ' ' A' ' 52' ' ' ALA . 7.7 t -69.09 -173.81 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 110.375 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.427 ' N ' ' OG1' ' A' ' 51' ' ' THR . . . -54.91 -48.35 73.18 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.443 1.09 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.4 -58.34 7.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.315 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -56.67 -49.42 75.12 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 1.071 HD13 ' CG ' ' A' ' 117' ' ' TRP . 18.0 mt -53.07 -32.39 46.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.413 ' HA ' ' OE1' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -61.62 -63.58 1.22 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.472 1.107 . . . . 0.0 110.34 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.481 ' O ' ' CB ' ' A' ' 61' ' ' TYR . 0.1 OUTLIER -56.82 -45.16 82.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 0.0 109.349 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.1 tp -52.77 -25.17 10.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 20.3 tp -77.19 -52.5 9.14 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.36 24.28 2.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.481 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 50.0 t80 -120.51 -44.87 2.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 110.988 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.52 HD21 ' HA ' ' A' ' 24' ' ' LYS . 5.0 mt -106.32 -61.21 1.55 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.483 ' HB3' ' CG1' ' A' ' 67' ' ' VAL . 8.8 m -59.84 168.08 1.92 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 108.32 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 78.9 p -92.51 175.88 6.66 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.612 1.195 . . . . 0.0 109.996 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.412 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 30.4 t -59.78 -68.68 0.26 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.134 . . . . 0.0 110.011 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.41 HD12 HD11 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -42.84 -55.79 3.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.348 179.916 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.483 ' CG1' ' HB3' ' A' ' 63' ' ' CYS . 2.1 t -47.81 -49.0 11.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 65' ' ' SER . . . -56.07 -40.77 74.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.1 m -65.7 -43.42 89.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.009 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.41 HD11 HD12 ' A' ' 66' ' ' LEU . 59.0 mt -60.99 -56.19 24.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.238 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.683 ' CD2' ' HB3' ' A' ' 120' ' ' ALA . 0.4 OUTLIER -54.16 -49.95 68.11 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 109.626 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -46.71 -43.16 17.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.684 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.63 -61.61 2.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.584 1.177 . . . . 0.0 110.272 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.494 ' OE1' ' CB ' ' A' ' 123' ' ' ALA . 2.8 mt-30 -52.41 -30.36 28.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 110.341 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.727 HD13 ' CD1' ' A' ' 79' ' ' ILE . 0.2 OUTLIER -66.93 -49.53 65.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -54.8 -48.05 73.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 33.7 t -67.59 -27.55 67.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 110.0 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.907 HD23 ' HG ' ' A' ' 116' ' ' LEU . 0.9 OUTLIER -66.32 -68.65 0.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.246 -179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.763 ' CG1' HD22 ' A' ' 97' ' ' LEU . 1.5 mp -44.73 -45.3 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.426 1.079 . . . . 0.0 109.219 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.406 ' O ' ' CB ' ' A' ' 84' ' ' THR . 33.2 t -51.09 -36.81 42.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.942 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 78' ' ' LEU . 5.9 tt0 -69.71 -41.19 75.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.31 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.403 ' HB1' ' CG1' ' A' ' 87' ' ' ILE . . . -61.31 -56.61 18.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.407 1.067 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.411 ' HG2' ' CE2' ' A' ' 90' ' ' TYR . 9.9 mt-10 -60.15 -44.42 95.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.302 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.406 ' CB ' ' O ' ' A' ' 80' ' ' SER . 5.5 m -58.05 -47.52 82.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.434 1.084 . . . . 0.0 110.432 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.26 -2.85 23.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 68.1 82.68 0.16 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.493 1.12 . . . . 0.0 111.008 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.471 ' CG2' ' N ' ' A' ' 88' ' ' THR . 8.1 mt -43.93 164.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.475 0.75 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.517 HG23 ' N ' ' A' ' 89' ' ' GLY . 7.7 t -72.69 -54.59 8.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.393 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.517 ' N ' HG23 ' A' ' 88' ' ' THR . . . -133.85 71.2 0.5 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.509 1.131 . . . . 0.0 110.966 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.576 ' CG ' ' N ' ' A' ' 91' ' ' ASN . 49.4 t80 -112.55 172.95 6.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 0.771 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.576 ' N ' ' CG ' ' A' ' 90' ' ' TYR . 12.6 p-10 -136.09 122.0 13.74 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.142 0 O-C-N 124.47 1.774 . . . . 0.0 110.965 179.959 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.409 ' O ' ' OE1' ' A' ' 100' ' ' GLN . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.886 0 N-CA-C 111.0 -0.423 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.763 HD22 ' CG1' ' A' ' 79' ' ' ILE . 8.3 tp -60.26 -15.21 22.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.452 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 36.3 ptt-85 -76.66 0.61 19.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 18.9 t -96.83 -55.16 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.518 ' HB2' ' NE2' ' A' ' 106' ' ' GLN . 6.5 pm0 -75.85 -0.05 19.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.34 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -94.68 -19.46 20.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.22 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 98' ' ' ARG . 10.2 m-20 -94.06 -5.12 48.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 109.349 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.413 ' ND2' ' HB2' ' A' ' 105' ' ' GLN . 34.0 t30 -88.24 119.79 70.38 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -4.77 15.9 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.493 1.786 . . . . 0.0 111.0 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.413 ' HB2' ' ND2' ' A' ' 103' ' ' ASN . 4.7 mm100 -67.31 -51.52 51.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.591 1.182 . . . . 0.0 110.318 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.518 ' NE2' ' HB2' ' A' ' 100' ' ' GLN . 3.3 pt20 -100.13 71.82 1.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.289 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -14.04 15.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.423 1.077 . . . . 0.0 110.3 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -60.85 -57.29 19.57 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.511 1.132 . . . . 0.0 110.94 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.414 ' CD1' HG21 ' A' ' 87' ' ' ILE . 0.8 OUTLIER -75.2 -45.58 39.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 0.776 . . . . 0.0 109.315 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 17.2 ttt180 -41.17 -42.5 2.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.23 -44.5 29.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.241 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.402 ' O ' ' OE2' ' A' ' 112' ' ' GLU . 8.9 tp10 -56.24 -25.32 47.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.265 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.591 ' CE2' HD23 ' A' ' 97' ' ' LEU . 1.9 t80 -81.5 -49.93 10.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 111.003 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.563 ' HG3' HG22 ' A' ' 45' ' ' VAL . 1.6 tm0? -49.11 -43.0 41.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 110.336 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.42 -33.15 64.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.907 ' HG ' HD23 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -68.47 -30.25 69.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 1.071 ' CG ' HD13 ' A' ' 55' ' ' LEU . 70.8 t90 -68.54 -57.57 5.58 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.821 HD11 HG11 ' A' ' 45' ' ' VAL . 28.5 mt -51.71 -29.01 16.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.499 ' HB3' HD21 ' A' ' 78' ' ' LEU . . . -62.13 -62.04 2.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.683 ' HB3' ' CD2' ' A' ' 71' ' ' HIS . . . -56.69 -24.04 46.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.559 1.162 . . . . 0.0 109.342 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.791 ' CE1' ' CZ2' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -74.58 -45.52 44.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -87.36 8.19 25.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.494 ' CB ' ' OE1' ' A' ' 74' ' ' GLN . . . -97.66 0.67 47.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.263 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 78.3 mt -70.88 153.93 94.52 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.229 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.202 0 O-C-N 124.459 1.768 . . . . 0.0 111.009 -179.979 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 131' ' ' PRO . . . . . 0.617 ' O ' ' HB3' ' A' ' 134' ' ' ALA . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.87 0 N-CA-C 111.02 -0.416 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.42 -41.79 79.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.003 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.864 ' HA ' HD12 ' A' ' 136' ' ' ILE . 11.8 p-90 -57.65 -18.7 21.77 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.617 ' HB3' ' O ' ' A' ' 131' ' ' PRO . . . -60.63 -14.65 21.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 109.257 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 11.9 p -129.29 35.48 4.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.976 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.864 HD12 ' HA ' ' A' ' 133' ' ' TRP . 62.5 mt -123.25 119.03 56.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.599 ' O ' ' CZ ' ' A' ' 147' ' ' PHE . 0.2 OUTLIER -136.44 -176.74 4.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.432 1.083 . . . . 0.0 109.345 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 138' ' ' GLN . . . . . 0.464 ' CG ' ' HA ' ' A' ' 144' ' ' TYR . 0.0 OUTLIER -105.62 115.21 29.86 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.441 1.088 . . . . 0.0 110.325 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -74.4 145.93 35.18 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.568 1.168 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.686 HD13 ' O ' ' A' ' 140' ' ' LEU . 2.3 tm? -57.58 -18.46 19.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 0.787 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -129.68 47.15 2.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 110.316 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -139.32 159.68 65.09 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 109.94 3.02 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.427 1.751 . . . . 0.0 110.926 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' TYR . . . . . 0.856 ' O ' HG23 ' A' ' 148' ' ' VAL . 0.9 OUTLIER -69.06 -44.35 72.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 110.991 179.91 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -54.1 50.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.657 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -56.51 -50.03 73.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 147' ' ' PHE . . . . . 0.599 ' CZ ' ' O ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -47.5 -42.23 22.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 111.034 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.856 HG23 ' O ' ' A' ' 144' ' ' TYR . 38.5 t -60.56 -40.71 85.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.04 -56.12 24.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 110.266 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 150' ' ' ARG . . . . . 0.605 ' HA ' HD12 ' A' ' 153' ' ' ILE . 17.2 mtt180 -59.87 -35.33 74.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.155 . . . . 0.0 110.33 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.474 ' HB3' ' CD1' ' A' ' 169' ' ' LEU . 1.7 mt -55.39 -48.32 74.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -60.33 -34.59 74.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.36 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 153' ' ' ILE . . . . . 0.605 HD12 ' HA ' ' A' ' 150' ' ' ARG . 5.8 mt -67.64 -63.97 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.422 1.076 . . . . 0.0 109.288 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -52.59 -21.91 4.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 0.702 HD23 ' CD1' ' A' ' 133' ' ' TRP . 15.6 mt -86.22 -28.05 24.1 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.242 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 153' ' ' ILE . 0.8 OUTLIER -79.48 -7.7 58.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.439 1.087 . . . . 0.0 109.32 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -112.73 -30.67 7.0 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.427 1.079 . . . . 0.0 109.311 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -102.31 -43.17 2.07 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.64 HD23 ' CE2' ' A' ' 133' ' ' TRP . 0.2 OUTLIER -79.63 114.68 47.72 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.521 0.777 . . . . 0.0 109.245 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 160' ' ' PRO . . . . . 0.563 ' HD2' HD13 ' A' ' 159' ' ' LEU . 18.3 Cg_endo -74.96 -169.1 0.58 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.42 1.748 . . . . 0.0 111.007 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -95.71 -14.67 23.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 110.258 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -93.65 18.36 56.66 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.476 1.11 . . . . 0.0 111.03 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 163' ' ' THR . . . . . 0.692 HG23 ' HD2' ' A' ' 164' ' ' PRO . 3.9 m -138.28 145.85 48.98 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.487 0.757 . . . . 0.0 110.43 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 164' ' ' PRO . . . . . 0.692 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.3 Cg_endo -75.02 109.84 3.0 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.52 1.8 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 165' ' ' LYS . . . . . 0.594 ' HB2' HD12 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -100.03 -33.39 10.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.34 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 166' ' ' ASP . . . . . 0.513 ' CB ' ' HD3' ' A' ' 167' ' ' PRO . 0.1 OUTLIER -41.88 -53.28 8.19 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.429 1.08 . . . . 0.0 109.284 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 167' ' ' PRO . . . . . 0.513 ' HD3' ' CB ' ' A' ' 166' ' ' ASP . 18.4 Cg_endo -75.04 -48.8 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.448 1.762 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 168' ' ' ILE . . . . . 0.622 HD13 HD21 ' A' ' 159' ' ' LEU . 0.4 OUTLIER -47.96 -43.56 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.329 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 169' ' ' LEU . . . . . 0.496 HD13 HD12 ' A' ' 155' ' ' LEU . 26.3 tp -60.52 -63.85 1.16 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 13.1 mtm105 -47.7 -23.66 0.75 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.257 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.58 -54.38 6.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 109.954 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.482 HD21 ' CE3' ' A' ' 133' ' ' TRP . 0.7 OUTLIER -65.01 -12.93 55.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.34 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -89.96 -36.6 14.89 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.095 . . . . 0.0 109.262 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 174' ' ' TYR . . . . . 0.442 ' O ' ' C ' ' A' ' 175' ' ' SER . 11.8 t80 -113.81 -71.94 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 110.97 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 175' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 174' ' ' TYR . 23.5 t -35.63 -39.34 0.14 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.449 1.093 . . . . 0.0 109.982 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 176' ' ' ASN . . . . . 0.503 ' HB3' HD23 ' A' ' 137' ' ' LEU . 29.6 m120 -110.74 60.27 0.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.267 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 177' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 174' ' ' TYR . . . -134.61 152.6 51.89 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 178' ' ' ASN . . . . . 0.435 ' OD1' ' NE2' ' A' ' 138' ' ' GLN . 4.7 p-10 -53.44 -174.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.38 -42.4 25.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 180' ' ' GLU . . . . . 0.465 ' HB2' ' CD2' ' A' ' 140' ' ' LEU . 0.4 OUTLIER -60.37 -21.37 62.07 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.138 . . . . 0.0 110.257 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 181' ' ' CYS . . . . . 0.536 ' SG ' ' CD2' ' A' ' 144' ' ' TYR . 53.6 t -86.53 -69.47 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 108.335 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 182' ' ' GLN . . . . . 0.489 HE21 ' N ' ' A' ' 183' ' ' LYS . 0.0 OUTLIER -44.97 -31.92 1.45 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.453 1.095 . . . . 0.0 110.276 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 183' ' ' LYS . . . . . 0.489 ' N ' HE21 ' A' ' 182' ' ' GLN . 29.2 mtmt -75.03 -42.5 57.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.573 HD23 ' O ' ' A' ' 184' ' ' LEU . 2.3 tt -54.91 -56.04 23.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 185' ' ' LEU . . . . . 0.518 HD11 ' HE2' ' A' ' 198' ' ' MET . 16.9 mt -51.36 -52.82 42.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.267 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 186' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -52.66 -48.63 66.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -57.64 -31.11 65.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.345 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 188' ' ' ARG . . . . . 0.435 ' HG3' ' CD2' ' A' ' 184' ' ' LEU . 0.1 OUTLIER -81.5 -18.35 45.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 58.54 55.29 31.58 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.443 1.089 . . . . 0.0 110.969 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 190' ' ' HIS . . . . . 0.5 ' O ' ' C ' ' A' ' 191' ' ' THR . 0.5 OUTLIER -155.76 26.5 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 109.6 -179.92 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 191' ' ' THR . . . . . 0.5 ' C ' ' O ' ' A' ' 190' ' ' HIS . 17.6 p -30.93 -57.41 0.22 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 110.358 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 192' ' ' ASN . . . . . 0.457 ' O ' ' O ' ' A' ' 193' ' ' SER . 27.2 t-20 -68.94 -110.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.097 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 193' ' ' SER . . . . . 0.549 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER 47.97 -179.61 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.975 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 194' ' ' PRO . . . . . 0.549 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.2 Cg_endo -75.07 166.04 29.95 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.494 1.786 . . . . 0.0 110.939 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 195' ' ' LEU . . . . . 0.519 HD21 ' CG1' ' A' ' 148' ' ' VAL . 11.1 tp -67.4 -44.29 79.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -46.99 -41.63 14.34 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.07 -38.69 86.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 0.74 . . . . 0.0 109.35 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 198' ' ' MET . . . . . 0.518 ' HE2' HD11 ' A' ' 185' ' ' LEU . 90.9 mtp -62.35 -34.11 76.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 199' ' ' LEU . . . . . 0.63 HD21 HG11 ' A' ' 148' ' ' VAL . 3.1 mm? -75.11 -22.51 58.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 109.361 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 10.2 mtm180 -85.96 -14.38 44.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 110.309 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -89.51 -35.36 15.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.597 1.186 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 202' ' ' CYS . . . . . 0.596 ' CB ' ' CD1' ' A' ' 144' ' ' TYR . 1.0 OUTLIER -88.47 -18.61 27.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 108.288 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 203' ' ' GLN . . . . . 0.443 ' CG ' ' N ' ' A' ' 204' ' ' THR . 15.0 pt20 -38.15 -46.42 1.04 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.48 1.112 . . . . 0.0 110.327 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 204' ' ' THR . . . . . 0.443 ' N ' ' CG ' ' A' ' 203' ' ' GLN . 5.8 t . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.563 1.164 . . . . 0.0 110.388 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.593 ' SD ' ' CE1' ' A' ' 48' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.539 0.209 . . . . 0.0 111.023 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.422 ' N ' ' HG3' ' A' ' 15' ' ' MET . 5.9 pm0 -121.97 174.42 6.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.245 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -54.01 -18.91 3.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 111.041 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -61.39 1.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.078 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -47.12 -43.41 20.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.258 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.738 HD21 ' HB2' ' A' ' 58' ' ' LEU . 25.4 mt -54.05 -53.65 50.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 109.336 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.97 -53.84 47.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.241 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.49 -42.12 66.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.495 HD12 ' HA ' ' A' ' 20' ' ' LEU . 29.3 mt -59.98 -48.82 86.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.4 ttpp -50.25 -27.0 5.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -76.66 -69.58 0.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.628 ' CD ' HG23 ' A' ' 40' ' ' THR . 4.3 pt-20 -48.59 -23.54 1.04 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.857 HG23 HG21 ' A' ' 40' ' ' THR . 22.2 t -83.06 -43.41 18.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.448 1.093 . . . . 0.0 109.207 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 57.7 m -53.15 -20.79 4.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.006 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -81.78 -40.61 22.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 110.315 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.632 ' HB1' ' HB3' ' A' ' 36' ' ' GLN . . . -48.81 166.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.436 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -105.66 162.58 19.27 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.436 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.2 Cg_endo -74.97 117.34 4.88 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.547 1.814 . . . . 0.0 111.033 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 71.43 38.74 62.11 Favored Glycine 0 CA--C 1.528 0.905 0 O-C-N 124.551 1.157 . . . . 0.0 111.054 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.5 m -125.85 155.1 73.38 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.448 0.734 . . . . 0.0 110.018 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 50.15 2.45 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.461 1.769 . . . . 0.0 110.965 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.632 ' HB3' ' HB1' ' A' ' 30' ' ' ALA . 13.5 tp60 -121.33 -53.2 2.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.258 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.526 ' HD2' HG13 ' A' ' 27' ' ' VAL . 4.2 t80 -58.06 -59.6 5.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.106 . . . . 0.0 110.974 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.482 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -48.7 -41.86 33.1 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.556 1.16 . . . . 0.0 110.96 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -54.31 -41.0 68.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 110.315 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.857 HG21 HG23 ' A' ' 27' ' ' VAL . 1.4 m -67.63 -23.92 65.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.41 1.069 . . . . 0.0 110.415 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.731 HG22 ' CD2' ' A' ' 118' ' ' LEU . 12.4 mm -74.9 -57.43 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.47 ' HG3' HD13 ' A' ' 118' ' ' LEU . 0.8 OUTLIER -61.77 -31.45 71.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 110.33 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 22.1 tp -67.92 -48.04 67.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.51 ' O ' ' CE1' ' A' ' 48' ' ' PHE . . . -65.61 -32.92 74.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.643 HG11 HD11 ' A' ' 118' ' ' LEU . 0.9 OUTLIER -72.23 -37.05 57.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.587 1.179 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -87.3 0.3 55.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 110.312 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.34 -68.9 0.76 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.251 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.593 ' CE1' ' SD ' ' A' ' 15' ' ' MET . 0.2 OUTLIER -116.9 -24.85 7.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.578 1.174 . . . . 0.0 110.907 -179.931 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.412 ' HA ' ' OE1' ' A' ' 114' ' ' GLN . 1.1 m-20 72.34 98.31 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.551 1.157 . . . . 0.0 109.241 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.425 ' HB2' ' CB ' ' A' ' 54' ' ' ASP . 18.2 Cg_endo -74.95 143.0 28.73 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.527 1.804 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.5 p -61.9 -172.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.412 1.07 . . . . 0.0 110.412 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.23 -46.44 67.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.407 ' HD3' ' N ' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -63.78 -39.21 93.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.425 ' CB ' ' HB2' ' A' ' 50' ' ' PRO . 77.2 m-20 -57.55 -37.84 73.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 1.021 HD13 ' CG ' ' A' ' 117' ' ' TRP . 31.5 mt -65.89 -48.17 72.41 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.13 . . . . 0.0 109.347 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -53.71 -53.02 58.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 110.347 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.67 -57.5 10.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.738 ' HB2' HD21 ' A' ' 20' ' ' LEU . 10.0 tp -44.01 -40.33 4.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.342 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 33.1 tp -55.94 -54.14 48.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.35 5.41 14.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.31 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 8.3 t80 -97.68 -21.1 17.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 0.0 110.956 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 61' ' ' TYR . 49.2 mt -120.14 -69.87 0.82 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 3.3 p -68.67 173.04 5.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 108.302 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.44 ' O ' ' HB2' ' A' ' 68' ' ' ALA . 0.5 OUTLIER -87.7 -165.68 1.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.617 1.198 . . . . 0.0 109.986 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 m -77.99 -24.69 47.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.419 1.075 . . . . 0.0 109.961 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.471 ' C ' HD12 ' A' ' 66' ' ' LEU . 0.3 OUTLIER -73.05 -75.88 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.352 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.1 t -42.31 -34.61 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.44 ' HB2' ' O ' ' A' ' 64' ' ' SER . . . -61.69 -49.18 77.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 66' ' ' LEU . 2.4 m -58.47 -54.62 45.02 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 42.7 mt -52.51 -46.51 66.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.566 1.166 . . . . 0.0 109.337 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.59 ' NE2' ' HB3' ' A' ' 120' ' ' ALA . 3.9 t60 -57.55 -41.83 81.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 109.614 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.66 -16.49 63.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.619 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -80.29 -72.61 0.4 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.764 ' OE1' ' HB3' ' A' ' 123' ' ' ALA . 0.9 OUTLIER -47.26 -31.88 4.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.567 1.167 . . . . 0.0 110.279 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.821 HD13 HG12 ' A' ' 79' ' ' ILE . 1.6 tm? -74.16 -45.4 48.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.355 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.36 -43.38 23.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.155 . . . . 0.0 109.367 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.9 t -68.52 -39.96 80.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.995 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.631 HD23 ' CG ' ' A' ' 116' ' ' LEU . 0.7 OUTLIER -61.62 -39.59 91.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.821 HG12 HD13 ' A' ' 75' ' ' LEU . 42.5 mm -58.26 -59.65 3.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.456 1.098 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.0 t -49.91 -30.25 9.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.933 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -63.41 -39.98 95.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.421 1.075 . . . . 0.0 110.304 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.902 ' HB1' HG12 ' A' ' 87' ' ' ILE . . . -65.74 -59.62 3.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 0.0 109.357 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.567 ' HG2' ' CE2' ' A' ' 90' ' ' TYR . 6.2 mt-10 -54.39 -40.26 68.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.353 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.3 m -64.66 -48.28 75.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.358 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.25 -0.09 21.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 71.52 91.47 0.09 OUTLIER Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.572 1.17 . . . . 0.0 110.98 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.902 HG12 ' HB1' ' A' ' 82' ' ' ALA . 66.6 mt -53.71 167.74 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.588 0.816 . . . . 0.0 109.356 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.545 ' N ' HG22 ' A' ' 87' ' ' ILE . 14.7 t -88.09 -49.3 7.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 110.423 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.456 ' O ' HD12 ' A' ' 109' ' ' LEU . . . -124.19 68.16 0.49 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.601 1.188 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.63 ' CG ' HD12 ' A' ' 87' ' ' ILE . 54.3 t80 -127.93 135.74 50.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 0.726 . . . . 0.0 110.948 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -110.35 100.54 45.0 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.196 0 O-C-N 124.415 1.745 . . . . 0.0 110.966 -179.97 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.431 ' O ' ' NE2' ' A' ' 100' ' ' GLN . 17.9 Cg_endo . . . . . 0 N--CA 1.454 -0.838 0 N-CA-C 110.943 -0.445 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.69 HD21 HD12 ' A' ' 79' ' ' ILE . 14.2 tp -120.14 -55.64 2.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -51.31 -34.07 31.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.166 . . . . 0.0 110.3 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 60.5 t -60.16 -45.69 95.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.522 ' HB3' ' NE2' ' A' ' 106' ' ' GLN . 29.0 mt-30 -66.26 -20.33 66.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.301 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -103.98 16.33 26.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -107.67 -20.67 13.15 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.575 1.172 . . . . 0.0 109.331 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.406 ' ND2' ' HB2' ' A' ' 105' ' ' GLN . 46.9 p-10 -99.26 138.42 20.54 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.383 1.052 . . . . 0.0 109.299 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 0.25 9.09 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.407 1.741 . . . . 0.0 111.027 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.406 ' HB2' ' ND2' ' A' ' 103' ' ' ASN . 7.3 mt-30 -61.87 -62.6 1.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.522 ' NE2' ' HB3' ' A' ' 100' ' ' GLN . 4.1 pt20 -95.48 83.38 3.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.24 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -72.35 -4.22 28.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -65.83 -56.47 14.5 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.513 1.133 . . . . 0.0 111.045 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.456 HD12 ' O ' ' A' ' 89' ' ' GLY . 1.2 mt -71.11 -24.4 62.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 0.729 . . . . 0.0 109.345 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.43 ' HB3' ' NH1' ' A' ' 110' ' ' ARG . 13.0 mtp-105 -61.55 -52.67 63.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 110.334 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -65.6 -37.39 86.5 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.475 1.109 . . . . 0.0 110.279 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -63.28 -56.3 17.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.329 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.615 ' HA ' HD22 ' A' ' 116' ' ' LEU . 1.7 t80 -53.49 -35.39 60.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.412 ' OE1' ' HA ' ' A' ' 49' ' ' ASP . 23.9 mm-40 -58.98 -48.25 82.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -75.14 -54.63 6.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.326 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.661 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 0.0 OUTLIER -47.89 -42.37 26.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 1.021 ' CG ' HD13 ' A' ' 55' ' ' LEU . 75.0 t90 -62.41 -66.59 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 108.03 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.731 ' CD2' HG22 ' A' ' 41' ' ' ILE . 93.2 mt -41.47 -35.25 0.66 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.661 ' HB3' ' O ' ' A' ' 116' ' ' LEU . . . -55.68 -52.07 65.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.59 ' HB3' ' NE2' ' A' ' 71' ' ' HIS . . . -59.81 -34.96 73.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.502 ' CE2' ' CH2' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -75.97 -12.62 60.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 111.053 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -111.27 3.64 18.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.764 ' HB3' ' OE1' ' A' ' 74' ' ' GLN . . . -97.64 -4.21 37.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 79.2 mt -68.98 148.98 97.95 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.399 1.062 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.111 0 O-C-N 124.493 1.786 . . . . 0.0 110.998 179.999 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.873 0 N-CA-C 110.976 -0.432 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.25 -28.18 59.75 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.766 ' HA ' HD12 ' A' ' 136' ' ' ILE . 23.2 p-90 -67.66 -13.77 62.37 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.93 -10.56 50.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.4 27.25 4.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.979 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.766 HD12 ' HA ' ' A' ' 133' ' ' TRP . 96.7 mt -113.52 116.38 52.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.589 HD23 ' OD1' ' A' ' 176' ' ' ASN . 0.1 OUTLIER -134.8 156.34 49.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.309 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 138' ' ' GLN . . . . . 0.468 ' CG ' ' HA ' ' A' ' 144' ' ' TYR . 0.0 OUTLIER -71.31 116.09 11.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.436 1.085 . . . . 0.0 110.244 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 139' ' ' GLY . . . . . 0.455 ' O ' ' NE2' ' A' ' 138' ' ' GLN . . . -66.1 155.24 51.01 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.557 1.16 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.604 ' N ' ' ND2' ' A' ' 178' ' ' ASN . 1.4 tm? -60.51 -40.34 91.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 0.78 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -111.82 40.42 2.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 110.342 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -114.58 154.92 46.62 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.306 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' PRO . . . . . 0.528 ' HB2' ' HB3' ' A' ' 146' ' ' ALA . 18.2 Cg_endo -74.99 84.35 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.504 1.791 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 144' ' ' TYR . . . . . 1.043 ' O ' HG23 ' A' ' 148' ' ' VAL . 45.7 t80 -38.13 -49.63 1.34 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.961 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.42 -61.02 2.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.562 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.528 ' HB3' ' HB2' ' A' ' 143' ' ' PRO . . . -54.69 -45.24 73.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 147' ' ' PHE . . . . . 0.497 ' CZ ' ' C ' ' A' ' 137' ' ' LEU . 77.4 t80 -55.03 -47.14 75.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 111.027 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 1.043 HG23 ' O ' ' A' ' 144' ' ' TYR . 67.6 t -51.14 -41.44 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.338 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 149' ' ' GLU . . . . . 0.566 ' O ' HD12 ' A' ' 153' ' ' ILE . 2.2 tp10 -64.29 -61.97 1.9 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 110.252 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -50.66 -31.46 16.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.308 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.668 ' O ' HD12 ' A' ' 155' ' ' LEU . 0.5 OUTLIER -63.48 -41.04 98.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -63.41 -49.44 73.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 153' ' ' ILE . . . . . 0.566 HD12 ' O ' ' A' ' 149' ' ' GLU . 4.0 mp -62.15 -67.8 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.544 1.152 . . . . 0.0 109.345 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -41.48 -29.65 0.17 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.133 . . . . 0.0 109.299 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 0.681 HD21 ' CD1' ' A' ' 172' ' ' LEU . 2.8 mt -71.17 -61.76 1.65 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -50.68 -22.58 2.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.577 1.173 . . . . 0.0 109.299 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.03 -24.11 67.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -146.42 36.99 1.24 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.536 1.147 . . . . 0.0 111.034 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.64 HD12 ' HB2' ' A' ' 165' ' ' LYS . 0.5 OUTLIER -121.31 113.86 32.16 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.76 . . . . 0.0 109.328 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 156.52 43.28 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.425 1.75 . . . . 0.0 111.017 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -74.31 -1.7 21.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.108 . . . . 0.0 110.303 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -104.37 18.22 45.5 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.509 1.13 . . . . 0.0 111.031 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 163' ' ' THR . . . . . 0.571 HG23 ' HD2' ' A' ' 164' ' ' PRO . 1.4 m -142.86 142.19 21.76 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.526 0.78 . . . . 0.0 110.373 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 164' ' ' PRO . . . . . 0.571 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.2 Cg_endo -74.97 128.8 11.79 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.522 1.801 . . . . 0.0 111.037 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 165' ' ' LYS . . . . . 0.64 ' HB2' HD12 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -111.65 -26.36 9.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 166' ' ' ASP . . . . . 0.511 ' N ' ' CD ' ' A' ' 167' ' ' PRO . 0.4 OUTLIER -50.91 -52.27 59.22 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 167' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 166' ' ' ASP . 18.1 Cg_endo -75.06 -38.15 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.559 1.82 . . . . 0.0 110.954 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -39.11 78.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 169' ' ' LEU . . . . . 0.413 ' CD1' ' HB3' ' A' ' 151' ' ' LEU . 13.1 tp -59.49 -64.98 0.75 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.425 1.078 . . . . 0.0 109.344 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 17.6 ptt85 -51.45 -21.07 2.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.408 1.068 . . . . 0.0 110.265 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 171' ' ' SER . . . . . 0.503 ' O ' ' CB ' ' A' ' 175' ' ' SER . 0.2 OUTLIER -80.98 -38.18 28.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.971 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.681 ' CD1' HD21 ' A' ' 155' ' ' LEU . 10.5 mt -74.76 -24.21 58.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 173' ' ' ALA . . . . . 1.019 ' O ' ' HB2' ' A' ' 177' ' ' ALA . . . -79.97 -44.75 19.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.567 1.167 . . . . 0.0 109.32 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 174' ' ' TYR . . . . . 0.446 ' O ' ' N ' ' A' ' 176' ' ' ASN . 6.6 t80 -95.32 -73.57 0.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.971 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 175' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 171' ' ' SER . 0.2 OUTLIER -38.4 -30.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.063 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 176' ' ' ASN . . . . . 0.589 ' OD1' HD23 ' A' ' 137' ' ' LEU . 4.2 m-80 -122.94 59.82 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 177' ' ' ALA . . . . . 1.019 ' HB2' ' O ' ' A' ' 173' ' ' ALA . . . -125.24 148.34 48.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.344 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 178' ' ' ASN . . . . . 0.604 ' ND2' ' N ' ' A' ' 140' ' ' LEU . 0.5 OUTLIER -51.84 -177.25 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -73.61 -59.41 2.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.352 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 180' ' ' GLU . . . . . 0.526 ' HB2' HD21 ' A' ' 140' ' ' LEU . 0.7 OUTLIER -52.0 -36.21 49.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 110.213 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 181' ' ' CYS . . . . . 0.451 ' SG ' ' CD2' ' A' ' 144' ' ' TYR . 45.2 t -67.4 -65.13 0.73 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 0.0 108.249 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.88 -42.05 25.85 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.47 1.106 . . . . 0.0 110.255 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 15.5 ttpp -61.76 -34.73 76.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.451 1.094 . . . . 0.0 109.255 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.718 ' C ' HD23 ' A' ' 184' ' ' LEU . 2.5 tt -67.78 -60.76 2.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 185' ' ' LEU . . . . . 0.621 HD11 ' HE3' ' A' ' 198' ' ' MET . 4.7 mt -49.41 -52.35 29.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 186' ' ' GLN . . . . . 0.493 ' OE1' HG21 ' A' ' 191' ' ' THR . 1.8 mm100 -58.97 -52.57 65.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.332 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -55.87 -25.18 41.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 188' ' ' ARG . . . . . 0.463 ' HD3' ' CB ' ' A' ' 201' ' ' ALA . 0.0 OUTLIER -80.58 -23.54 39.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.328 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 64.48 67.79 1.91 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.545 1.153 . . . . 0.0 110.928 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 190' ' ' HIS . . . . . 0.621 ' CG ' ' O ' ' A' ' 190' ' ' HIS . 0.2 OUTLIER -171.09 37.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 0.773 . . . . 0.0 109.57 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 191' ' ' THR . . . . . 0.493 HG21 ' OE1' ' A' ' 186' ' ' GLN . 1.1 p -63.71 -47.69 80.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.354 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -82.59 59.64 4.79 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 193' ' ' SER . . . . . 0.548 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER -134.97 -179.34 1.05 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.991 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 194' ' ' PRO . . . . . 0.548 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.6 Cg_endo -74.94 176.44 9.89 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.473 1.775 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 195' ' ' LEU . . . . . 0.662 HD21 ' CG1' ' A' ' 148' ' ' VAL . 6.1 tp -72.86 -50.36 24.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 109.35 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -42.9 -45.96 6.01 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.465 1.103 . . . . 0.0 111.074 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -67.09 -35.9 80.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 0.768 . . . . 0.0 109.271 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 198' ' ' MET . . . . . 0.621 ' HE3' HD11 ' A' ' 185' ' ' LEU . 5.5 mmm -65.54 -23.03 66.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 199' ' ' LEU . . . . . 0.611 HD21 HG11 ' A' ' 148' ' ' VAL . 2.5 mm? -85.62 -22.87 27.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 200' ' ' ARG . . . . . 0.415 ' O ' ' CD ' ' A' ' 203' ' ' GLN . 5.8 ttm180 -86.16 -11.65 51.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.412 1.07 . . . . 0.0 110.311 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 201' ' ' ALA . . . . . 0.463 ' CB ' ' HD3' ' A' ' 188' ' ' ARG . . . -96.72 -35.57 10.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.345 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 202' ' ' CYS . . . . . 0.596 ' CB ' ' CD1' ' A' ' 144' ' ' TYR . 2.0 m -87.04 -12.55 46.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 108.309 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 203' ' ' GLN . . . . . 0.457 ' HG3' ' N ' ' A' ' 204' ' ' THR . 13.9 pt20 -45.35 -50.25 12.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 204' ' ' THR . . . . . 0.457 ' N ' ' HG3' ' A' ' 203' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.429 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.579 ' HG2' ' CE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.498 0.19 . . . . 0.0 110.942 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -84.17 161.51 20.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -66.12 -46.73 76.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.098 . . . . 0.0 111.032 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 19' ' ' ASP . 5.3 pttt -50.25 -47.37 55.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.582 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -58.53 -48.57 80.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.573 1.171 . . . . 0.0 109.339 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.797 ' HA ' HD12 ' A' ' 23' ' ' ILE . 1.9 mt -61.71 -34.65 76.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.65 -52.57 60.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.345 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.83 -33.15 48.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.797 HD12 ' HA ' ' A' ' 20' ' ' LEU . 67.6 mt -65.6 -46.31 89.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.6 tttm -49.94 -33.21 16.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.5 -71.65 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.56 ' CD ' HG23 ' A' ' 40' ' ' THR . 10.0 pt-20 -45.15 -30.2 1.1 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 110.256 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.616 HG13 ' HD2' ' A' ' 37' ' ' PHE . 38.7 t -73.07 -54.02 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -45.75 -36.38 5.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.086 . . . . 0.0 110.006 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.17 -36.81 84.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 110.313 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 27' ' ' VAL . . . -43.85 165.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.647 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -110.34 169.81 5.97 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.58 1.175 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.647 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.3 Cg_endo -75.0 115.22 4.22 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.484 1.781 . . . . 0.0 110.976 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 61.29 53.11 47.11 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.421 1.075 . . . . 0.0 111.021 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.99 158.8 74.16 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.533 0.784 . . . . 0.0 109.972 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.12 49.29 2.25 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.488 1.783 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -121.62 -59.24 1.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.616 ' HD2' HG13 ' A' ' 27' ' ' VAL . 11.5 t80 -59.61 -58.64 7.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.626 ' CE ' HD22 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -52.08 -49.61 63.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 111.001 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -50.29 -40.05 47.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.283 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.56 HG23 ' CD ' ' A' ' 26' ' ' GLU . 63.3 m -64.22 -29.59 70.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.423 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.62 HG22 HD21 ' A' ' 118' ' ' LEU . 3.8 mm -74.54 -40.03 48.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.445 1.091 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.607 ' HD2' HD13 ' A' ' 118' ' ' LEU . 1.8 mmm180 -66.59 -57.51 7.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 110.297 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.49 -29.29 24.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -84.11 -25.56 29.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.429 1.08 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.573 HG11 HD11 ' A' ' 118' ' ' LEU . 0.4 OUTLIER -73.52 -17.57 17.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -111.82 -64.46 1.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.309 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -44.85 -34.62 2.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.338 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.582 ' CE2' ' HB3' ' A' ' 19' ' ' ASP . 0.1 OUTLIER -101.79 -44.18 5.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.969 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.423 ' N ' ' HD3' ' A' ' 50' ' ' PRO . 2.7 t70 67.64 63.83 0.7 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.339 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.462 ' CD ' ' HA ' ' A' ' 45' ' ' VAL . 18.4 Cg_endo -75.01 163.08 36.02 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.562 1.822 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.5 p -113.66 -173.92 2.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.41 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.19 -37.35 54.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -68.66 -70.37 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 0.0 109.324 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -42.39 -31.48 0.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.985 HD13 ' CG ' ' A' ' 117' ' ' TRP . 20.0 mt -75.51 -48.09 24.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 53' ' ' LYS . 15.3 tp60 -49.02 -50.1 37.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 110.303 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.45 ' C ' ' N ' ' A' ' 59' ' ' LEU . 4.2 t70 -70.02 -63.3 1.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.561 HD13 HD23 ' A' ' 20' ' ' LEU . 29.0 tp -39.61 -29.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.45 ' N ' ' C ' ' A' ' 57' ' ' ASP . 20.5 tp -71.78 -55.28 7.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 57' ' ' ASP . 0.1 OUTLIER -87.78 23.55 1.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.306 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.402 ' OH ' ' O ' ' A' ' 20' ' ' LEU . 4.3 t80 -121.25 -38.84 2.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 111.033 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.462 ' HA ' HD23 ' A' ' 62' ' ' LEU . 1.3 mt -92.91 -59.34 2.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 68.5 m -81.1 -175.56 5.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 0.0 108.388 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.11 162.79 13.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 110.042 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.423 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 16.0 p -50.55 -41.69 54.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.002 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.7 tp -55.84 -66.18 0.47 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.53 HG13 ' CD1' ' A' ' 124' ' ' LEU . 2.8 t -45.76 -42.37 3.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 65' ' ' SER . . . -56.85 -51.88 67.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 68.5 p -57.39 -54.22 49.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 109.971 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 62.5 mt -50.69 -52.58 38.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.487 ' CD2' ' HB3' ' A' ' 120' ' ' ALA . 0.1 OUTLIER -55.95 -43.91 77.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.625 179.926 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -54.91 -23.51 19.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.652 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -82.21 -71.84 0.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.275 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.668 ' OE1' ' HB3' ' A' ' 123' ' ' ALA . 1.7 pt20 -47.11 -33.05 4.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.583 1.177 . . . . 0.0 110.27 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.726 HD23 ' HB2' ' A' ' 120' ' ' ALA . 1.3 tm? -74.42 -48.15 29.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.347 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.8 -49.26 20.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.59 -44.4 96.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.954 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.533 HD23 ' CG ' ' A' ' 116' ' ' LEU . 0.4 OUTLIER -53.91 -48.71 69.88 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.506 HD12 ' CD2' ' A' ' 97' ' ' LEU . 11.0 mm -50.5 -51.46 18.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.428 1.08 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.56 -28.9 34.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.002 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -64.92 -40.31 94.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.436 ' O ' ' CG1' ' A' ' 87' ' ' ILE . . . -66.53 -57.66 6.83 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -56.42 -36.89 69.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.276 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.3 m -60.16 -45.1 94.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.42 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -72.02 -5.02 32.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.322 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 87' ' ' ILE . . . 86.52 -18.08 35.74 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.453 1.096 . . . . 0.0 111.004 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.652 HD12 ' CG ' ' A' ' 90' ' ' TYR . 13.6 mt 60.91 146.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 0.0 109.345 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.497 HG23 ' N ' ' A' ' 89' ' ' GLY . 3.1 t -45.5 -55.05 6.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.393 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.497 ' N ' HG23 ' A' ' 88' ' ' THR . . . -155.35 61.61 0.36 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.552 1.158 . . . . 0.0 110.961 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.652 ' CG ' HD12 ' A' ' 87' ' ' ILE . 23.9 t80 -78.45 156.25 29.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 0.796 . . . . 0.0 110.955 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -112.03 121.46 39.43 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.359 1.104 0 O-C-N 124.495 1.787 . . . . 0.0 111.07 179.94 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 111.069 -0.397 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.506 ' CD2' HD12 ' A' ' 79' ' ' ILE . 0.8 OUTLIER -48.61 -30.37 5.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.257 -179.926 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.443 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 21.3 ptt180 -58.14 -15.67 10.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 47.7 t -92.04 -59.56 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.274 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.535 ' OE1' HD13 ' A' ' 109' ' ' LEU . 3.5 pt20 -56.63 -17.93 10.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.098 . . . . 0.0 110.306 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.56 -43.35 66.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 98' ' ' ARG . 18.6 p30 -92.79 30.44 1.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -99.21 130.54 26.99 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 0.0 109.272 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 49.06 2.16 Favored 'Trans proline' 0 C--N 1.361 1.231 0 O-C-N 124.408 1.741 . . . . 0.0 111.019 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -137.34 -66.16 0.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.266 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.409 ' NE2' ' HG3' ' A' ' 100' ' ' GLN . 0.0 OUTLIER -80.03 113.82 18.49 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.409 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 8.9 tm0? -99.8 -25.0 14.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 110.342 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -69.29 -52.4 22.56 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.47 1.106 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.535 HD13 ' OE1' ' A' ' 100' ' ' GLN . 0.8 OUTLIER -66.1 -57.97 6.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 0.761 . . . . 0.0 109.298 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.495 ' C ' ' CD ' ' A' ' 110' ' ' ARG . 0.0 OUTLIER -41.1 -33.85 0.38 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.461 ' N ' ' HG3' ' A' ' 110' ' ' ARG . 0.0 OUTLIER -70.04 -46.75 64.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 110.263 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 109' ' ' LEU . 26.9 mm-40 -56.43 -45.76 80.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 110.241 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.552 ' HA ' HD22 ' A' ' 116' ' ' LEU . 10.9 t80 -57.52 -42.78 83.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 111.027 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -52.48 -51.79 57.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 110.356 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.65 -57.0 5.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 110.292 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.557 HD21 HD11 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -43.54 -35.21 1.6 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.477 1.11 . . . . 0.0 109.326 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.985 ' CG ' HD13 ' A' ' 55' ' ' LEU . 92.2 t90 -67.04 -53.65 29.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 108.011 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.626 HD22 ' CE ' ' A' ' 38' ' ' MET . 50.8 mt -53.81 -32.23 51.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' A' ' 116' ' ' LEU . . . -59.94 -52.09 66.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.726 ' HB2' HD23 ' A' ' 75' ' ' LEU . . . -59.2 -35.18 73.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.233 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -70.41 -33.98 71.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -91.6 3.12 55.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.585 1.178 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.668 ' HB3' ' OE1' ' A' ' 74' ' ' GLN . . . -97.98 4.48 49.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.53 ' CD1' HG13 ' A' ' 67' ' ' VAL . 36.3 mt -82.11 156.62 69.3 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.142 0 O-C-N 124.57 1.826 . . . . 0.0 110.952 -179.968 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.846 0 N-CA-C 110.968 -0.435 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.9 -10.46 59.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 110.022 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.872 ' HA ' HD12 ' A' ' 136' ' ' ILE . 41.8 p-90 -74.97 -25.18 58.67 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.99 -14.1 32.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.414 1.071 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 7.2 m -122.34 28.39 7.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.003 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.872 HD12 ' HA ' ' A' ' 133' ' ' TRP . 10.0 mt -116.14 119.35 61.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.591 ' O ' ' CZ ' ' A' ' 147' ' ' PHE . 0.3 OUTLIER -136.11 147.76 47.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 138' ' ' GLN . . . . . 0.468 ' CG ' ' HA ' ' A' ' 144' ' ' TYR . 0.0 OUTLIER -77.13 117.8 19.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.313 179.934 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 139' ' ' GLY . . . . . 0.441 ' O ' ' NE2' ' A' ' 138' ' ' GLN . . . -67.76 147.91 48.79 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.547 1.154 . . . . 0.0 110.986 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.521 HD21 ' HB2' ' A' ' 180' ' ' GLU . 1.9 tm? -55.67 -34.89 65.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 0.762 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -118.15 43.66 2.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -124.52 161.67 46.85 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.441 1.088 . . . . 0.0 110.337 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' PRO . . . . . 0.719 ' HB2' ' HB3' ' A' ' 146' ' ' ALA . 18.1 Cg_endo -75.04 104.99 2.0 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.441 1.758 . . . . 0.0 110.946 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 144' ' ' TYR . . . . . 0.468 ' HA ' ' CG ' ' A' ' 138' ' ' GLN . 27.0 t80 -60.64 -60.43 3.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.15 . . . . 0.0 110.975 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -47.38 -50.52 22.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.536 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.719 ' HB3' ' HB2' ' A' ' 143' ' ' PRO . . . -61.0 -27.87 68.63 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 147' ' ' PHE . . . . . 0.591 ' CZ ' ' O ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -76.16 -41.73 48.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 0.0 111.002 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.797 HG11 HD21 ' A' ' 199' ' ' LEU . 57.7 t -58.94 -47.13 90.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 149' ' ' GLU . . . . . 0.615 ' O ' HD12 ' A' ' 153' ' ' ILE . 1.2 tt0 -58.3 -53.52 57.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.368 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 1.3 mtm180 -59.07 -35.52 73.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.317 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.674 ' O ' HD12 ' A' ' 155' ' ' LEU . 0.9 OUTLIER -58.86 -40.49 84.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.575 1.172 . . . . 0.0 109.291 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 152' ' ' ASN . . . . . 0.403 ' HA ' ' CE ' ' A' ' 165' ' ' LYS . 27.0 t-20 -64.02 -45.53 88.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 153' ' ' ILE . . . . . 0.615 HD12 ' O ' ' A' ' 149' ' ' GLU . 1.8 mp -63.24 -67.62 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.49 1.119 . . . . 0.0 109.255 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -41.31 -30.74 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 0.769 HD11 ' CD1' ' A' ' 172' ' ' LEU . 3.6 mt -76.29 -50.15 15.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 153' ' ' ILE . 20.8 t70 -52.15 -21.48 3.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -92.29 -25.23 18.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.221 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 158' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 155' ' ' LEU . . . -134.56 53.42 0.78 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.496 1.123 . . . . 0.0 110.964 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.591 HD11 HG22 ' A' ' 163' ' ' THR . 0.2 OUTLIER -166.15 101.96 0.71 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.517 0.775 . . . . 0.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 167.48 26.94 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.454 1.765 . . . . 0.0 110.985 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 163' ' ' THR . 1.7 mt-10 -65.03 -55.36 19.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 110.346 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -38.03 -30.04 0.07 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.524 1.14 . . . . 0.0 110.991 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 163' ' ' THR . . . . . 0.591 HG22 HD11 ' A' ' 159' ' ' LEU . 1.2 m -100.02 142.49 24.71 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.469 0.747 . . . . 0.0 110.386 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 164' ' ' PRO . . . . . 0.571 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.2 Cg_endo -75.02 138.73 23.36 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.54 1.811 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 165' ' ' LYS . . . . . 0.596 ' HE2' HD13 ' A' ' 169' ' ' LEU . 0.0 OUTLIER -119.44 -41.1 2.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 166' ' ' ASP . . . . . 0.535 ' CB ' ' HD3' ' A' ' 167' ' ' PRO . 0.1 OUTLIER -38.65 -54.47 2.97 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 167' ' ' PRO . . . . . 0.535 ' HD3' ' CB ' ' A' ' 166' ' ' ASP . 18.4 Cg_endo -74.99 -47.39 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.489 1.784 . . . . 0.0 110.98 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 168' ' ' ILE . . . . . 0.43 ' CD1' HD21 ' A' ' 159' ' ' LEU . 0.0 OUTLIER -46.67 -29.15 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.572 1.17 . . . . 0.0 109.274 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 169' ' ' LEU . . . . . 0.799 HD23 HD22 ' A' ' 195' ' ' LEU . 4.0 tp -65.64 -63.28 1.13 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.512 1.133 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 170' ' ' ARG . . . . . 0.47 ' O ' ' CB ' ' A' ' 174' ' ' TYR . 0.9 OUTLIER -52.31 -34.88 48.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 110.279 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.05 -18.55 61.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 110.038 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.769 ' CD1' HD11 ' A' ' 155' ' ' LEU . 33.3 mt -91.95 -46.48 7.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.359 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -71.66 -6.34 40.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.08 . . . . 0.0 109.283 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 174' ' ' TYR . . . . . 0.47 ' CB ' ' O ' ' A' ' 170' ' ' ARG . 52.8 t80 -107.57 -69.0 0.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.29 -57.26 12.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.054 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 176' ' ' ASN . . . . . 0.552 ' HA ' HD23 ' A' ' 137' ' ' LEU . 94.3 m-20 -83.84 54.86 3.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 177' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 174' ' ' TYR . . . -135.7 140.3 44.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.561 1.163 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 178' ' ' ASN . . . . . 0.509 ' OD1' HD23 ' A' ' 140' ' ' LEU . 0.5 OUTLIER -51.57 -177.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.84 -65.09 0.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.254 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 180' ' ' GLU . . . . . 0.521 ' HB2' HD21 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -45.31 -33.79 2.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 181' ' ' CYS . . . . . . . . . . . . . 7.2 m -64.8 -69.8 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 108.315 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -49.91 -40.49 43.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 110.27 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.27 -34.37 77.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.542 ' C ' HD23 ' A' ' 184' ' ' LEU . 2.1 tt -64.43 -58.44 6.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 185' ' ' LEU . . . . . 0.553 HD23 ' NE2' ' A' ' 190' ' ' HIS . 8.6 mt -50.42 -53.32 30.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 186' ' ' GLN . . . . . 0.414 ' O ' ' N ' ' A' ' 189' ' ' GLY . 0.1 OUTLIER -55.66 -53.31 58.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 110.235 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -49.16 -50.14 39.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 188' ' ' ARG . . . . . 0.471 ' HG3' ' CD2' ' A' ' 184' ' ' LEU . 0.0 OUTLIER -58.13 -21.64 47.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.336 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 189' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 186' ' ' GLN . . . 75.38 30.25 58.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.425 1.078 . . . . 0.0 111.011 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 190' ' ' HIS . . . . . 0.564 ' CE1' ' HB3' ' A' ' 197' ' ' ASP . 0.4 OUTLIER -138.67 107.79 6.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.429 0.723 . . . . 0.0 109.653 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 3.2 p -120.06 -53.4 2.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.391 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -86.46 48.15 1.58 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 193' ' ' SER . . . . . 0.528 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER -117.12 179.57 0.79 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.98 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 194' ' ' PRO . . . . . 0.528 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.4 Cg_endo -74.93 153.8 42.37 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.467 1.772 . . . . 0.0 111.064 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 195' ' ' LEU . . . . . 0.852 HD12 ' SD ' ' A' ' 198' ' ' MET . 6.7 tp -52.74 -43.08 65.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -44.54 -39.63 5.93 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.514 1.134 . . . . 0.0 111.099 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 197' ' ' ASP . . . . . 0.564 ' HB3' ' CE1' ' A' ' 190' ' ' HIS . 0.3 OUTLIER -73.5 -36.28 65.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 0.727 . . . . 0.0 109.245 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 198' ' ' MET . . . . . 0.852 ' SD ' HD12 ' A' ' 195' ' ' LEU . 90.1 mtp -65.58 -32.55 74.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 199' ' ' LEU . . . . . 0.797 HD21 HG11 ' A' ' 148' ' ' VAL . 3.6 mm? -80.62 -21.63 41.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.343 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.28 -10.95 51.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 110.313 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 201' ' ' ALA . . . . . 0.436 ' HB1' ' HG3' ' A' ' 188' ' ' ARG . . . -95.47 -37.91 10.69 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.413 1.071 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 202' ' ' CYS . . . . . 0.411 ' HG ' ' HD1' ' A' ' 144' ' ' TYR . 19.1 p -82.81 -21.13 34.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 108.288 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -39.14 -35.47 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.423 1.077 . . . . 0.0 110.247 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 5.1 t . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.378 1.049 . . . . 0.0 110.368 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.577 ' HG2' ' CE1' ' A' ' 48' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.261 0 CA-C-O 120.475 0.178 . . . . 0.0 110.957 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -177.8 148.55 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.57 1.168 . . . . 0.0 110.264 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.7 tpt -52.23 -25.76 10.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.9 pttt -80.02 -36.38 35.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -63.56 -43.49 96.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.69 HD21 ' HB2' ' A' ' 58' ' ' LEU . 24.8 mt -63.4 -44.47 94.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.73 -46.58 77.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.261 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.93 -50.28 71.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.37 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.636 ' O ' HG23 ' A' ' 27' ' ' VAL . 35.2 mt -49.75 -44.55 20.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -58.63 -32.33 68.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -74.16 -65.62 0.82 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 110.299 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.721 ' OE1' HG23 ' A' ' 40' ' ' THR . 4.2 pt-20 -52.72 -20.35 3.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.454 1.096 . . . . 0.0 110.264 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 23' ' ' ILE . 39.1 t -87.56 -49.49 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.6 m -48.79 -28.78 3.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.997 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.43 -31.98 48.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 110.272 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 27' ' ' VAL . . . -46.17 167.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.595 ' HB3' ' HB2' ' A' ' 34' ' ' SER . . . -101.64 163.81 17.11 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.356 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.489 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.4 Cg_endo -74.97 122.59 7.31 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.484 1.781 . . . . 0.0 111.027 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 55.6 41.64 82.38 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.533 1.146 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.595 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 3.1 m -123.85 157.06 64.38 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.524 0.779 . . . . 0.0 109.983 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 50.08 2.43 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.507 1.793 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -121.43 -49.19 2.16 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 110.267 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.616 ' CE1' HD11 ' A' ' 41' ' ' ILE . 1.5 t80 -66.77 -64.37 0.87 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 111.03 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.524 ' CE ' HD22 ' A' ' 118' ' ' LEU . 8.1 tpt -46.0 -39.82 9.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -58.7 -47.61 83.95 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.515 1.135 . . . . 0.0 110.272 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.721 HG23 ' OE1' ' A' ' 26' ' ' GLU . 1.5 m -57.82 -24.87 59.39 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.463 1.102 . . . . 0.0 110.32 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.733 HG22 HD21 ' A' ' 118' ' ' LEU . 6.9 mm -72.75 -56.22 10.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.085 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.19 -31.51 53.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.445 1.091 . . . . 0.0 110.265 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.574 HD12 HE22 ' A' ' 47' ' ' GLN . 0.0 OUTLIER -64.9 -51.62 60.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.09 -37.57 87.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.253 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.53 HG22 ' HD2' ' A' ' 50' ' ' PRO . 1.3 t -66.18 -26.96 39.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -90.08 -15.04 32.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 110.3 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.574 HE22 HD12 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -74.99 -71.23 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.233 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.577 ' CE1' ' HG2' ' A' ' 15' ' ' MET . 0.5 OUTLIER -116.01 -26.05 7.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.976 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.405 ' OD2' ' NE2' ' A' ' 114' ' ' GLN . 1.0 OUTLIER 74.37 96.66 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 0.0 109.334 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.53 ' HD2' HG22 ' A' ' 45' ' ' VAL . 18.3 Cg_endo -74.97 142.34 27.83 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.44 1.758 . . . . 0.0 111.022 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 63.7 p -79.25 -168.2 1.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.395 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.59 -31.62 72.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.281 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -70.95 -72.43 0.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.309 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -41.5 -36.48 0.89 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 109.259 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 1.072 HD13 ' CG ' ' A' ' 117' ' ' TRP . 12.4 mt -65.95 -51.04 62.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 53' ' ' LYS . 3.5 tp60 -51.48 -49.16 62.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.01 -62.19 1.56 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.69 ' HB2' HD21 ' A' ' 20' ' ' LEU . 12.8 tp -40.84 -38.9 1.01 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.591 1.182 . . . . 0.0 109.366 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.435 HD12 ' HE1' ' A' ' 121' ' ' PHE . 18.0 tp -57.95 -57.84 11.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.8 3.27 12.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.264 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.524 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 28.9 t80 -95.52 -18.59 20.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 75.1 mt -114.3 -69.14 0.88 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.339 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 9.1 p -70.04 -168.43 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 108.286 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.7 t -107.07 -164.31 0.97 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.964 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.2 m -77.24 -25.57 51.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.421 1.076 . . . . 0.0 109.9 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.3 tp -67.22 -70.47 0.25 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.2 t -50.32 -51.38 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -43.24 -39.66 3.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.279 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.9 m -74.92 -45.42 42.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.988 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 84.1 mt -52.89 -50.22 64.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.636 1.21 . . . . 0.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.685 ' CE1' ' HB3' ' A' ' 120' ' ' ALA . 0.6 OUTLIER -60.51 -40.56 91.87 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.479 1.112 . . . . 0.0 109.598 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -56.05 -24.85 42.23 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 0.0 109.524 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 76' ' ' ASP . 23.6 mt-30 -82.62 -72.45 0.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.329 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -45.53 -38.45 6.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.257 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.796 HD13 HD12 ' A' ' 79' ' ' ILE . 1.4 tm? -69.46 -37.44 77.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 73' ' ' GLN . 0.2 OUTLIER -57.37 -45.73 84.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.533 1.146 . . . . 0.0 109.336 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.54 -45.46 91.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.027 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.778 HD23 ' CG ' ' A' ' 116' ' ' LEU . 7.7 tp -51.26 -52.48 44.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 0.0 109.352 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.796 HD12 HD13 ' A' ' 75' ' ' LEU . 1.0 OUTLIER -62.54 -47.34 93.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.05 -35.47 1.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.007 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -75.84 -40.36 54.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.506 ' HB1' HG12 ' A' ' 87' ' ' ILE . . . -62.93 -64.38 0.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.58 -35.05 8.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.1 m -61.04 -40.34 93.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.416 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -81.65 -1.27 46.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 110.294 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.92 -7.96 61.43 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.6 1.187 . . . . 0.0 111.038 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.781 HG21 ' CD1' ' A' ' 109' ' ' LEU . 16.1 mt 55.56 169.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.447 0.734 . . . . 0.0 109.351 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.495 ' N ' HG22 ' A' ' 87' ' ' ILE . 61.5 p -46.08 -77.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 0.0 110.393 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.446 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -136.63 52.69 0.77 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.473 ' CG ' HD12 ' A' ' 87' ' ' ILE . 22.0 t80 -81.12 145.55 31.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 0.788 . . . . 0.0 111.028 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -111.78 98.49 41.63 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.186 0 O-C-N 124.492 1.785 . . . . 0.0 110.998 -179.978 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.482 ' HB2' ' CG2' ' A' ' 99' ' ' VAL . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.865 0 N-CA-C 110.999 -0.423 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.771 HD21 HG12 ' A' ' 79' ' ' ILE . 13.2 tp -120.86 -38.82 2.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 23.2 ptt-85 -77.22 0.6 21.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 110.259 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.482 ' CG2' ' HB2' ' A' ' 96' ' ' PRO . 32.0 t -86.19 -72.99 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -58.57 -16.28 15.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.595 1.184 . . . . 0.0 110.342 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.94 -22.34 65.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.262 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -98.92 2.48 46.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 18.2 t30 -84.84 133.78 42.92 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.323 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -17.88 19.19 Favored 'Trans proline' 0 C--N 1.358 1.073 0 O-C-N 124.503 1.791 . . . . 0.0 110.962 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -58.4 -59.08 5.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.337 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -101.87 57.62 0.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.275 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -55.82 -20.08 13.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.592 1.183 . . . . 0.0 110.373 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -54.93 -50.55 58.18 Favored Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.448 1.093 . . . . 0.0 111.036 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.781 ' CD1' HG21 ' A' ' 87' ' ' ILE . 0.5 OUTLIER -73.07 -46.49 51.32 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.448 0.734 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -45.87 -38.95 7.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 110.353 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.84 -60.23 2.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.333 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.56 -24.03 0.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -79.11 -46.75 17.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.405 ' NE2' ' OD2' ' A' ' 49' ' ' ASP . 25.6 mt-30 -51.73 -48.96 63.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 110.251 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.66 -49.33 69.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.246 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.839 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 0.0 OUTLIER -51.88 -40.13 60.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 1.072 ' CG ' HD13 ' A' ' 55' ' ' LEU . 90.1 t90 -56.4 -63.59 1.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 108.006 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.733 HD21 HG22 ' A' ' 41' ' ' ILE . 47.4 mt -44.64 -29.74 0.8 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.839 ' HB3' ' O ' ' A' ' 116' ' ' LEU . . . -58.48 -57.65 12.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.093 . . . . 0.0 109.329 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.685 ' HB3' ' CE1' ' A' ' 71' ' ' HIS . . . -59.41 -41.89 90.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.435 ' HE1' HD12 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -62.44 -14.62 42.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 111.062 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -117.33 4.59 12.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.334 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -98.81 -3.66 35.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.355 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 94.1 mt -63.12 148.36 92.95 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.359 1.122 0 O-C-N 124.568 1.825 . . . . 0.0 111.049 179.962 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 131' ' ' PRO . . . . . 0.547 ' HB3' ' CZ2' ' A' ' 133' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.891 0 N-CA-C 111.013 -0.418 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.33 -18.36 60.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 109.985 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.747 ' HA ' HD12 ' A' ' 136' ' ' ILE . 15.3 p-90 -75.58 -17.69 59.97 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.548 1.155 . . . . 0.0 108.005 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.99 -10.0 44.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.19 25.01 6.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.994 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.747 HD12 ' HA ' ' A' ' 133' ' ' TRP . 42.8 mt -117.41 117.61 55.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.573 1.17 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.467 ' CB ' ' HB3' ' A' ' 176' ' ' ASN . 0.2 OUTLIER -137.52 161.69 35.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.933 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -91.38 123.39 34.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.324 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -67.97 160.6 50.29 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.463 1.102 . . . . 0.0 111.048 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -61.88 -36.41 81.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 0.785 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -114.17 41.5 2.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 110.218 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -125.91 160.31 57.3 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.266 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.88 124.76 8.92 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.579 1.831 . . . . 0.0 111.016 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' TYR . . . . . 0.937 ' O ' HG23 ' A' ' 148' ' ' VAL . 38.2 t80 -85.78 -41.39 15.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -55.46 34.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.595 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -61.9 -29.49 70.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 147' ' ' PHE . . . . . 0.677 ' CE1' HD12 ' A' ' 151' ' ' LEU . 3.5 t80 -71.52 -29.03 64.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.937 HG23 ' O ' ' A' ' 144' ' ' TYR . 94.9 t -70.86 -36.89 66.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -65.19 -55.96 15.59 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.513 1.133 . . . . 0.0 110.319 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 150' ' ' ARG . . . . . 0.633 HH21 HG23 ' A' ' 136' ' ' ILE . 0.6 OUTLIER -59.59 -27.22 66.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.365 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.883 ' O ' HD12 ' A' ' 155' ' ' LEU . 1.2 mt -63.67 -41.63 98.16 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -66.58 -42.55 86.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.578 1.174 . . . . 0.0 109.267 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 153' ' ' ILE . . . . . 0.42 ' C ' ' N ' ' A' ' 155' ' ' LEU . 5.7 mt -64.56 -68.53 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -43.02 -27.77 0.22 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 0.883 HD12 ' O ' ' A' ' 151' ' ' LEU . 1.0 OUTLIER -75.33 -52.87 9.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -52.16 -20.31 2.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 109.374 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -85.04 -24.16 28.29 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 158' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 155' ' ' LEU . . . -143.88 57.2 0.54 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.555 1.159 . . . . 0.0 110.967 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.831 HD21 ' CD1' ' A' ' 168' ' ' ILE . 0.2 OUTLIER -156.46 99.35 2.1 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.51 0.771 . . . . 0.0 109.317 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 168.57 24.55 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.501 1.79 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 163' ' ' THR . 0.0 OUTLIER -64.3 -54.81 27.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 162' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 161' ' ' GLU . . . -36.89 -31.78 0.05 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.534 1.146 . . . . 0.0 111.042 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 163' ' ' THR . . . . . 0.648 HG22 HD11 ' A' ' 159' ' ' LEU . 1.0 OUTLIER -100.0 142.52 24.77 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.578 0.81 . . . . 0.0 110.399 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 164' ' ' PRO . . . . . 0.527 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.2 Cg_endo -75.04 153.0 41.28 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.517 1.799 . . . . 0.0 110.956 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 165' ' ' LYS . . . . . 0.423 ' NZ ' ' HB3' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -120.28 -40.76 2.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 166' ' ' ASP . . . . . 0.541 ' CB ' ' HD3' ' A' ' 167' ' ' PRO . 0.2 OUTLIER -41.96 -54.85 6.75 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.336 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 167' ' ' PRO . . . . . 0.541 ' HD3' ' CB ' ' A' ' 166' ' ' ASP . 18.6 Cg_endo -74.91 -55.59 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.559 1.82 . . . . 0.0 111.072 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 168' ' ' ILE . . . . . 0.831 ' CD1' HD21 ' A' ' 159' ' ' LEU . 0.0 OUTLIER -39.71 -38.01 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 169' ' ' LEU . . . . . 0.515 HD23 HD22 ' A' ' 195' ' ' LEU . 5.4 tp -64.32 -64.72 0.81 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.629 1.206 . . . . 0.0 109.231 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 170' ' ' ARG . . . . . 0.495 ' O ' ' CB ' ' A' ' 174' ' ' TYR . 66.8 mtm180 -52.19 -36.16 51.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 0.0 110.298 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.77 -27.92 67.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.964 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.798 ' CD1' HD11 ' A' ' 155' ' ' LEU . 17.9 mt -84.48 -42.4 15.62 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 173' ' ' ALA . . . . . 0.646 ' O ' ' HB2' ' A' ' 177' ' ' ALA . . . -77.13 -1.29 28.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 174' ' ' TYR . . . . . 0.495 ' CB ' ' O ' ' A' ' 170' ' ' ARG . 52.3 t80 -106.91 -75.8 0.63 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.51 1.131 . . . . 0.0 111.027 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.66 -45.59 70.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.97 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 176' ' ' ASN . . . . . 0.467 ' HB3' ' CB ' ' A' ' 137' ' ' LEU . 3.4 m-20 -100.13 60.73 1.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.445 1.091 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 177' ' ' ALA . . . . . 0.646 ' HB2' ' O ' ' A' ' 173' ' ' ALA . . . -136.8 65.9 1.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 178' ' ' ASN . . . . . 0.538 ' C ' ' O ' ' A' ' 177' ' ' ALA . 10.2 p-10 29.88 -147.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.477 ' N ' ' CG ' ' A' ' 178' ' ' ASN . 0.2 OUTLIER -114.26 -57.03 2.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.429 1.081 . . . . 0.0 109.255 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 180' ' ' GLU . . . . . 0.486 ' N ' ' ND2' ' A' ' 178' ' ' ASN . 0.0 OUTLIER -41.79 -28.02 0.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.322 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 181' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 184' ' ' LEU . 14.5 t -86.93 -67.28 0.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 108.335 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -39.24 -32.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.15 -47.66 17.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.582 1.177 . . . . 0.0 109.347 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.705 HD23 ' O ' ' A' ' 184' ' ' LEU . 2.7 tt -58.67 -50.23 74.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 185' ' ' LEU . . . . . 0.579 HD21 ' SD ' ' A' ' 198' ' ' MET . 4.3 mt -51.87 -60.25 3.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 186' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -53.28 -53.72 46.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.439 1.087 . . . . 0.0 110.31 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -53.6 -34.6 59.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.86 -31.6 71.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 67.69 61.22 5.15 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.477 1.111 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 190' ' ' HIS . . . . . 0.556 ' NE2' HD23 ' A' ' 185' ' ' LEU . 0.9 OUTLIER -152.78 23.43 0.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 0.785 . . . . 0.0 109.571 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -53.14 -43.94 67.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 110.359 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -89.3 63.27 6.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 193' ' ' SER . . . . . 0.538 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER -146.11 179.85 1.09 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.038 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 194' ' ' PRO . . . . . 0.538 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.5 Cg_endo -75.03 175.25 11.5 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.477 1.777 . . . . 0.0 110.967 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 195' ' ' LEU . . . . . 0.515 HD22 HD23 ' A' ' 169' ' ' LEU . 6.0 tp -71.54 -40.96 69.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -42.92 -36.23 2.51 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.51 1.131 . . . . 0.0 110.959 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -78.96 -38.26 37.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.58 0.812 . . . . 0.0 109.354 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 198' ' ' MET . . . . . 0.579 ' SD ' HD21 ' A' ' 185' ' ' LEU . 67.8 mmm -51.65 -42.5 62.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 111.034 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 199' ' ' LEU . . . . . 0.639 HD21 HG11 ' A' ' 148' ' ' VAL . 2.6 mm? -80.25 -26.58 38.96 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.23 -7.43 57.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.261 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -100.69 -37.11 8.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.167 . . . . 0.0 109.352 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 202' ' ' CYS . . . . . . . . . . . . . 14.2 p -84.71 -14.25 48.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 108.34 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 203' ' ' GLN . . . . . 0.429 ' HG3' ' N ' ' A' ' 204' ' ' THR . 17.1 pt20 -49.41 -43.84 44.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 110.271 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 204' ' ' THR . . . . . 0.429 ' N ' ' HG3' ' A' ' 203' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 110.438 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.582 ' CB ' ' CD1' ' A' ' 48' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.499 0.19 . . . . 0.0 110.979 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.47 ' CG ' ' HG2' ' A' ' 18' ' ' LYS . 12.2 pt20 -156.3 -155.82 0.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.264 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.456 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -60.01 -57.82 11.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.47 ' HG2' ' CG ' ' A' ' 16' ' ' GLN . 0.5 OUTLIER -44.85 -33.59 2.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.395 1.059 . . . . 0.0 109.257 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.481 ' OD2' ' CD2' ' A' ' 48' ' ' PHE . 1.3 m-20 -77.45 -40.73 42.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.594 ' HA ' HD12 ' A' ' 23' ' ' ILE . 46.5 mt -68.49 -31.39 70.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 31.2 mm100 -67.06 -47.76 70.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 0.0 110.294 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.55 -42.24 98.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.771 ' O ' HG23 ' A' ' 27' ' ' VAL . 32.0 mt -54.14 -54.45 20.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.7 ttpp -52.49 -29.66 26.07 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -70.57 -71.04 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.712 ' CD ' HG23 ' A' ' 40' ' ' THR . 3.7 pt-20 -49.51 -31.03 9.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.771 HG23 ' O ' ' A' ' 23' ' ' ILE . 59.8 t -68.07 -52.43 38.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.1 p -46.11 -33.41 3.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 1.172 . . . . 0.0 109.994 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -69.79 -37.59 76.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 110.277 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 27' ' ' VAL . . . -47.72 166.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.233 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.84 ' HB3' ' OG ' ' A' ' 34' ' ' SER . . . -104.7 163.22 17.66 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.471 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.4 Cg_endo -75.06 117.31 4.85 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 64.78 43.66 95.89 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.461 1.1 . . . . 0.0 110.989 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.84 ' OG ' ' HB3' ' A' ' 31' ' ' ALA . 56.6 p -129.5 156.71 78.18 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.464 0.743 . . . . 0.0 109.971 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 49.38 2.24 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.591 1.838 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 19.0 tp60 -121.53 -47.26 2.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.303 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.644 ' CD1' HG13 ' A' ' 27' ' ' VAL . 5.0 t80 -66.52 -65.44 0.68 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 111.026 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.626 ' CE ' HD22 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -47.23 -40.34 16.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -57.94 -39.97 79.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 110.323 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.712 HG23 ' CD ' ' A' ' 26' ' ' GLU . 1.1 m -65.85 -24.77 66.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 110.346 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.642 HG22 HD21 ' A' ' 118' ' ' LEU . 20.1 mm -70.65 -36.28 64.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.52 -33.74 64.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.249 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.2 tp -63.32 -34.27 77.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.492 ' HB1' ' CE1' ' A' ' 48' ' ' PHE . . . -80.14 -39.1 30.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.716 HG11 HD11 ' A' ' 118' ' ' LEU . 0.4 OUTLIER -71.54 -9.28 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? -109.3 -31.75 7.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -63.48 -61.45 2.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 110.251 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.582 ' CD1' ' CB ' ' A' ' 15' ' ' MET . 0.2 OUTLIER -119.33 -36.37 3.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.985 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 48' ' ' PHE . 6.4 t0 82.09 96.54 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.58 1.175 . . . . 0.0 109.351 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.446 ' HD2' HG23 ' A' ' 45' ' ' VAL . 18.3 Cg_endo -75.0 124.31 8.53 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.447 1.762 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 34.4 p -63.64 -177.01 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.389 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.64 -45.68 66.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.95 -61.88 2.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.352 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -47.16 -36.82 9.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.26 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.984 HD13 ' CG ' ' A' ' 117' ' ' TRP . 15.1 mt -68.3 -49.09 62.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.1 tp60 -50.76 -48.06 59.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.587 1.179 . . . . 0.0 110.287 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.416 ' C ' ' N ' ' A' ' 59' ' ' LEU . 0.4 OUTLIER -70.04 -56.95 5.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.563 ' HB2' HD21 ' A' ' 20' ' ' LEU . 21.1 tp -45.72 -25.97 0.57 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.416 ' N ' ' C ' ' A' ' 57' ' ' ASP . 39.9 tp -74.85 -53.28 9.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.93 23.55 2.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.208 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -119.4 -32.57 4.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.613 HD13 ' HE1' ' A' ' 37' ' ' PHE . 5.7 mt -97.71 -60.96 1.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.564 1.165 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.453 ' SG ' HG12 ' A' ' 67' ' ' VAL . 13.6 p -84.74 -174.69 5.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 108.352 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 13.6 t -94.02 -173.66 3.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.018 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.0 t -71.74 -31.81 67.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.965 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.0 tp -57.71 -67.56 0.32 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.453 HG12 ' SG ' ' A' ' 63' ' ' CYS . 2.2 t -50.14 -52.26 14.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -46.67 -37.9 9.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.216 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.1 p -72.69 -50.33 25.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.147 . . . . 0.0 110.033 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 71.5 mt -52.02 -53.08 46.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.493 ' ND1' ' HB3' ' A' ' 120' ' ' ALA . 0.4 OUTLIER -55.32 -43.0 74.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.081 . . . . 0.0 109.605 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -56.09 -22.4 27.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.646 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -81.13 -71.0 0.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.163 . . . . 0.0 110.358 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.408 ' OE1' ' O ' ' A' ' 120' ' ' ALA . 0.0 OUTLIER -49.37 -35.79 19.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.13 . . . . 0.0 110.288 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.539 HD23 ' HB2' ' A' ' 120' ' ' ALA . 1.2 tm? -72.11 -44.94 62.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -48.56 -49.1 37.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.079 . . . . 0.0 109.351 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.8 t -61.81 -37.13 83.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.978 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.906 HD23 ' HG ' ' A' ' 116' ' ' LEU . 12.3 tp -62.41 -41.59 98.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.076 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.76 HD13 HD11 ' A' ' 116' ' ' LEU . 18.4 mm -55.48 -52.94 41.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.5 t -51.28 -33.52 28.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.955 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -60.94 -43.88 98.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 110.283 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.884 ' HB1' HG12 ' A' ' 87' ' ' ILE . . . -67.73 -62.27 1.49 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -47.29 -33.89 6.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.1 m -65.68 -45.69 81.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 110.458 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -75.89 -3.54 35.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.254 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.69 -8.14 60.19 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.484 1.115 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.95 HG21 HD11 ' A' ' 109' ' ' LEU . 28.8 mt 57.11 163.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.56 0.8 . . . . 0.0 109.221 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.596 HG23 ' H ' ' A' ' 89' ' ' GLY . 1.6 t -49.51 -59.75 3.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.371 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.596 ' H ' HG23 ' A' ' 88' ' ' THR . . . -153.69 54.16 0.44 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.449 1.093 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.7 ' CG ' HD12 ' A' ' 87' ' ' ILE . 48.7 t80 -79.53 154.0 29.13 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 0.754 . . . . 0.0 110.982 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -110.57 99.05 39.7 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.129 0 O-C-N 124.573 1.828 . . . . 0.0 111.015 -179.954 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.452 -0.919 0 N-CA-C 111.064 -0.399 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.703 HD22 HG23 ' A' ' 79' ' ' ILE . 34.2 tp -120.37 -47.78 2.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.12 -26.58 67.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 45.5 t -61.92 -47.73 91.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.167 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 29.1 mp0 -69.08 -35.16 76.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 0.0 110.33 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.2 -36.11 76.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -81.62 -11.02 59.27 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.454 1.096 . . . . 0.0 109.266 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -81.32 125.34 79.29 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.05 47.08 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.501 1.79 . . . . 0.0 110.995 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -145.86 17.59 1.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.423 ' OE1' HD12 ' A' ' 109' ' ' LEU . 40.0 mm-40 -143.55 61.59 1.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 110.291 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -30.48 69.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -65.96 -53.08 32.45 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.433 1.083 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.95 HD11 HG21 ' A' ' 87' ' ' ILE . 1.1 mt -71.37 -42.71 68.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 0.736 . . . . 0.0 109.242 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -48.11 -46.15 33.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 114' ' ' GLN . 61.3 mtt180 -69.88 -61.79 1.64 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 110.314 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.5 ' HG2' HD23 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -42.77 -27.12 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.588 1.18 . . . . 0.0 110.278 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.441 ' N ' ' HG3' ' A' ' 112' ' ' GLU . 7.2 t80 -76.72 -43.76 36.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 111' ' ' ARG . 53.4 mm-40 -52.26 -38.63 58.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.331 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -78.96 -59.08 2.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.087 . . . . 0.0 110.253 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.906 ' HG ' HD23 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -44.52 -37.31 3.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.19 -179.911 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.984 ' CG ' HD13 ' A' ' 55' ' ' LEU . 61.2 t90 -66.05 -60.22 3.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 107.977 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.716 HD11 HG11 ' A' ' 45' ' ' VAL . 74.7 mt -51.03 -25.44 4.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.103 . . . . 0.0 109.318 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.654 ' HB3' ' O ' ' A' ' 116' ' ' LEU . . . -62.45 -65.44 0.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.539 ' HB2' HD23 ' A' ' 75' ' ' LEU . . . -50.65 -45.04 57.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.579 ' CE2' ' CH2' ' A' ' 117' ' ' TRP . 0.4 OUTLIER -57.02 -31.54 65.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.155 . . . . 0.0 110.942 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -101.57 10.08 40.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.461 ' HB3' ' HA ' ' A' ' 120' ' ' ALA . . . -105.42 -0.07 26.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 82.4 mt -62.78 154.9 73.34 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.258 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.173 0 O-C-N 124.417 1.746 . . . . 0.0 111.016 179.991 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 131' ' ' PRO . . . . . 0.718 ' HG2' ' HB2' ' A' ' 134' ' ' ALA . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.882 0 N-CA-C 111.073 -0.395 . . . . 0.0 111.073 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 72.4 m -75.1 -29.44 60.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.013 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.815 ' HA ' HD12 ' A' ' 136' ' ' ILE . 29.3 p-90 -75.37 -13.11 60.38 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.554 1.159 . . . . 0.0 107.976 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.718 ' HB2' ' HG2' ' A' ' 131' ' ' PRO . . . -68.09 -9.43 46.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.133 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 71.0 m -131.28 31.13 4.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 109.964 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.815 HD12 ' HA ' ' A' ' 133' ' ' TRP . 97.0 mt -118.87 115.85 49.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.838 HD23 ' HB3' ' A' ' 176' ' ' ASN . 0.7 OUTLIER -136.26 162.28 33.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.574 1.171 . . . . 0.0 109.349 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 138' ' ' GLN . . . . . 0.475 ' CA ' ' OE1' ' A' ' 138' ' ' GLN . 4.9 tp60 -93.0 98.96 11.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 110.266 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 139' ' ' GLY . . . . . 0.472 ' O ' ' NE2' ' A' ' 138' ' ' GLN . . . -63.34 154.15 45.23 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.436 1.085 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.401 HD22 ' O ' ' A' ' 140' ' ' LEU . 2.3 tm? -66.38 -24.26 66.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 0.765 . . . . 0.0 109.307 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -117.04 40.71 2.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.271 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -139.99 159.6 63.77 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.235 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 110.27 3.08 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.475 1.776 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 144' ' ' TYR . . . . . 0.769 ' O ' HG23 ' A' ' 148' ' ' VAL . 19.4 t80 -71.69 -48.35 47.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -52.09 -53.74 38.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.534 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -59.42 -40.03 85.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.233 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 147' ' ' PHE . . . . . 0.591 ' CZ ' ' O ' ' A' ' 137' ' ' LEU . 0.1 OUTLIER -58.62 -46.0 88.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 111.007 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.769 HG23 ' O ' ' A' ' 144' ' ' TYR . 25.3 t -54.81 -42.54 62.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -61.56 -60.77 3.19 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.135 . . . . 0.0 110.328 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 150' ' ' ARG . . . . . 0.584 ' HA ' HD12 ' A' ' 153' ' ' ILE . 0.0 OUTLIER -55.09 -26.9 41.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.343 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.463 ' HB3' ' CD1' ' A' ' 169' ' ' LEU . 1.3 mt -64.68 -53.31 49.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.577 1.173 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -57.85 -37.98 74.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 153' ' ' ILE . . . . . 0.584 HD12 ' HA ' ' A' ' 150' ' ' ARG . 39.2 mt -65.88 -69.67 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.354 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -43.87 -29.74 0.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.259 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 0.602 HD23 HD23 ' A' ' 159' ' ' LEU . 9.2 mt -74.17 -51.1 16.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -53.62 -20.19 4.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -115.04 24.55 11.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.248 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -173.27 33.13 0.11 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.506 1.128 . . . . 0.0 110.96 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.602 HD23 HD23 ' A' ' 155' ' ' LEU . 0.2 OUTLIER -148.23 109.19 3.67 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.748 . . . . 0.0 109.287 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 154.69 42.74 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.572 1.828 . . . . 0.0 111.072 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -66.13 -39.36 89.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 110.324 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -40.27 -32.65 0.44 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 163' ' ' THR . . . . . 0.413 HG23 ' HD2' ' A' ' 164' ' ' PRO . 0.6 OUTLIER -115.42 147.86 39.64 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.488 0.758 . . . . 0.0 110.391 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 164' ' ' PRO . . . . . 0.413 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.6 Cg_endo -74.92 147.82 34.82 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.536 1.808 . . . . 0.0 111.035 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.45 -30.32 7.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 166' ' ' ASP . . . . . 0.516 ' N ' ' CD ' ' A' ' 167' ' ' PRO . 0.2 OUTLIER -41.1 -51.92 7.39 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 167' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 166' ' ' ASP . 18.4 Cg_endo -74.96 -52.42 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.54 1.81 . . . . 0.0 110.981 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 168' ' ' ILE . . . . . 0.517 ' CD1' HD21 ' A' ' 159' ' ' LEU . 0.0 OUTLIER -45.91 -44.08 4.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.587 1.18 . . . . 0.0 109.344 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 169' ' ' LEU . . . . . 0.463 ' CD1' ' HB3' ' A' ' 151' ' ' LEU . 20.0 tp -63.26 -67.06 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 170' ' ' ARG . . . . . 0.43 ' HB3' ' NH1' ' A' ' 170' ' ' ARG . 10.5 ttp-105 -43.57 -28.84 0.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.362 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 171' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 175' ' ' SER . 0.2 OUTLIER -78.6 -49.42 13.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.99 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.661 HD21 ' HE3' ' A' ' 133' ' ' TRP . 35.7 mt -56.8 -24.78 53.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.565 1.166 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 173' ' ' ALA . . . . . 0.712 ' O ' ' HB2' ' A' ' 177' ' ' ALA . . . -87.91 -69.82 0.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 174' ' ' TYR . . . . . 0.466 ' O ' ' N ' ' A' ' 176' ' ' ASN . 14.1 t80 -66.6 -67.73 0.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 0.0 111.019 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 175' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 171' ' ' SER . 0.3 OUTLIER -37.53 -31.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.015 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 176' ' ' ASN . . . . . 0.838 ' HB3' HD23 ' A' ' 137' ' ' LEU . 38.4 m-20 -126.25 55.05 1.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 177' ' ' ALA . . . . . 0.712 ' HB2' ' O ' ' A' ' 173' ' ' ALA . . . -115.57 142.25 46.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 178' ' ' ASN . . . . . 0.632 ' ND2' ' H ' ' A' ' 181' ' ' CYS . 7.1 p-10 -53.54 -172.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.42 ' C ' ' N ' ' A' ' 181' ' ' CYS . 0.2 OUTLIER -76.09 -62.87 1.46 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -44.23 -25.2 0.21 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.543 1.152 . . . . 0.0 110.295 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 181' ' ' CYS . . . . . 0.632 ' H ' ' ND2' ' A' ' 178' ' ' ASN . 1.2 m -81.7 -69.04 0.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 108.327 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -43.2 -39.25 2.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 110.312 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -41.48 75.9 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.668 ' C ' HD23 ' A' ' 184' ' ' LEU . 3.0 tt -64.74 -57.66 8.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 185' ' ' LEU . . . . . 0.75 HD11 ' HE3' ' A' ' 198' ' ' MET . 5.4 mt -46.64 -49.87 18.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 186' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 189' ' ' GLY . 0.3 OUTLIER -61.0 -62.05 2.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 110.279 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -47.56 -29.27 2.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.42 1.075 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 188' ' ' ARG . . . . . 0.53 HH12 HG21 ' A' ' 204' ' ' THR . 0.1 OUTLIER -72.23 -38.43 68.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.338 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 189' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 186' ' ' GLN . . . 75.75 57.67 4.07 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.5 1.125 . . . . 0.0 111.067 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 190' ' ' HIS . . . . . 0.584 ' NE2' HD23 ' A' ' 185' ' ' LEU . 0.8 OUTLIER -154.34 23.81 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 0.801 . . . . 0.0 109.606 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -51.77 -44.65 63.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.44 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -92.9 66.73 4.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.361 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 193' ' ' SER . . . . . 0.545 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER -145.54 -179.85 1.03 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.079 . . . . 0.0 109.971 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 194' ' ' PRO . . . . . 0.545 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.0 Cg_endo -74.99 171.72 17.77 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.502 1.791 . . . . 0.0 110.978 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 195' ' ' LEU . . . . . 0.562 HD21 ' CG1' ' A' ' 148' ' ' VAL . 9.7 tp -65.81 -39.58 91.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -45.15 -38.25 6.21 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.471 1.107 . . . . 0.0 111.049 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 197' ' ' ASP . . . . . 0.424 ' HB3' ' ND1' ' A' ' 190' ' ' HIS . 8.8 m-20 -76.77 -32.58 57.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 198' ' ' MET . . . . . 0.75 ' HE3' HD11 ' A' ' 185' ' ' LEU . 68.5 mmm -61.91 -47.47 84.79 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.439 1.087 . . . . 0.0 111.021 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 199' ' ' LEU . . . . . 0.661 HD21 HG11 ' A' ' 148' ' ' VAL . 2.1 mm? -74.69 -19.72 60.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.344 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.33 -10.08 53.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -99.06 -30.45 12.32 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.463 1.102 . . . . 0.0 109.347 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 202' ' ' CYS . . . . . . . . . . . . . 13.9 p -91.4 -14.57 30.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 108.341 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 203' ' ' GLN . . . . . 0.4 ' HG3' ' N ' ' A' ' 204' ' ' THR . 9.0 pt20 -46.64 -34.23 4.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.378 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 204' ' ' THR . . . . . 0.53 HG21 HH12 ' A' ' 188' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.406 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 23.9 p-80 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 47.59 82.4 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.489 1.118 . . . . 0.0 109.602 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 62.98 141.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.492 1.12 . . . . 0.0 109.507 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -84.91 174.72 9.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.607 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 69.76 150.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 109.591 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.3 p -157.11 156.44 32.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.035 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 71.2 m -62.18 156.18 22.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.479 1.112 . . . . 0.0 109.967 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.36 120.1 4.61 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.55 1.156 . . . . 0.0 110.976 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 22.4 p80 -177.18 100.28 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 0.732 . . . . 0.0 109.528 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 69.5 mt -97.86 128.86 48.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -108.64 -59.73 1.83 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.577 1.173 . . . . 0.0 110.276 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 72.48 173.17 21.57 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.496 1.123 . . . . 0.0 111.032 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.403 ' O ' ' CG ' ' A' ' 14' ' ' HIS . 0.1 OUTLIER -155.87 97.28 1.81 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 0.735 . . . . 0.0 110.283 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.7 ' CE1' HG21 ' A' ' 51' ' ' THR . 0.2 OUTLIER -174.8 50.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.636 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.572 ' HG3' ' CZ ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER 52.23 100.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.164 . . . . 0.0 111.022 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.423 ' HG3' ' CG ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -80.27 -167.66 1.4 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.605 1.191 . . . . 0.0 110.235 -179.916 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.7 tpt -72.54 -57.39 4.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.423 ' CG ' ' HG3' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -47.61 -31.94 5.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.414 ' N ' ' HG3' ' A' ' 18' ' ' LYS . 38.1 m-20 -63.82 -43.64 95.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.517 HD21 ' HE1' ' A' ' 15' ' ' MET . 8.1 mt -71.29 -32.15 68.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 109.349 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 73.2 mm-40 -64.27 -41.99 96.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 110.336 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.29 -45.82 89.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.385 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.653 HG22 HD11 ' A' ' 62' ' ' LEU . 43.2 mt -57.35 -48.5 82.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.344 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.522 ' HA ' HD21 ' A' ' 62' ' ' LEU . 0.4 OUTLIER -49.48 -35.96 21.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 28' ' ' SER . 6.0 mt-30 -69.55 -72.74 0.18 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.51 1.131 . . . . 0.0 110.336 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.445 ' CG ' ' HA ' ' A' ' 23' ' ' ILE . 14.0 pt-20 -44.28 -26.32 0.31 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.544 1.152 . . . . 0.0 110.296 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.578 HG13 ' HD1' ' A' ' 37' ' ' PHE . 13.2 t -81.49 -43.85 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' GLN . 0.1 OUTLIER -51.25 -26.77 7.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 110.014 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.64 -37.57 56.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.38 166.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.446 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -107.07 162.98 17.93 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.411 1.069 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.446 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.2 Cg_endo -75.04 112.62 3.6 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.425 1.75 . . . . 0.0 111.047 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 72.45 49.35 20.01 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.428 1.08 . . . . 0.0 111.003 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.6 155.3 75.3 Favored Pre-proline 0 C--N 1.323 -0.545 0 O-C-N 124.518 0.775 . . . . 0.0 110.03 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 49.92 2.41 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.422 1.749 . . . . 0.0 110.966 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.5 tp60 -121.12 -47.25 2.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 110.336 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.578 ' HD1' HG13 ' A' ' 27' ' ' VAL . 3.6 t80 -66.12 -62.58 1.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.606 ' HE1' HD22 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -50.25 -47.05 55.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.96 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -53.36 -42.68 67.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.267 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.478 HG21 HG23 ' A' ' 27' ' ' VAL . 1.3 m -61.82 -26.14 67.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 110.37 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.676 HG22 HD21 ' A' ' 118' ' ' LEU . 20.1 mm -68.83 -49.68 61.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.374 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.532 ' HG3' HD13 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -59.54 -27.1 65.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.107 . . . . 0.0 110.354 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.1 tp -69.95 -40.66 75.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.226 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.15 -39.97 71.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.473 HG22 ' HD2' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -69.11 -31.44 50.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -86.35 -12.33 49.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 110.245 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -80.59 -72.45 0.41 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.572 ' CZ ' ' HG3' ' A' ' 15' ' ' MET . 9.4 p90 -113.15 -25.53 8.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.941 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.403 ' OD1' ' C ' ' A' ' 48' ' ' PHE . 1.4 m-20 72.79 93.92 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.473 ' HD2' HG22 ' A' ' 45' ' ' VAL . 18.4 Cg_endo -74.95 125.48 9.38 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.547 1.814 . . . . 0.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.7 HG21 ' CE1' ' A' ' 14' ' ' HIS . 43.5 p -58.84 -170.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.418 1.074 . . . . 0.0 110.36 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.7 -44.54 85.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.083 . . . . 0.0 109.273 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.19 -56.62 16.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -53.73 -49.6 67.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 1.024 HD13 ' CG ' ' A' ' 117' ' ' TRP . 13.6 mt -51.79 -41.45 61.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.85 -56.23 15.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.332 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -65.07 -51.5 61.09 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.412 1.07 . . . . 0.0 109.248 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.455 HD22 ' HE1' ' A' ' 15' ' ' MET . 21.1 tp -46.07 -32.2 2.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 36.8 tp -69.29 -50.34 47.69 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.486 1.116 . . . . 0.0 109.247 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.81 23.52 2.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.311 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.434 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 91.3 t80 -116.44 -52.94 2.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.575 1.172 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.653 HD11 HG22 ' A' ' 23' ' ' ILE . 10.1 mt -98.34 -58.22 2.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.469 ' HB3' ' CG1' ' A' ' 67' ' ' VAL . 22.9 m -59.22 171.06 0.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 108.328 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.28 171.44 9.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.976 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.561 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 40.6 t -58.17 -70.75 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.986 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.6 tp -45.3 -54.22 7.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.469 ' CG1' ' HB3' ' A' ' 63' ' ' CYS . 1.4 t -46.63 -45.59 7.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 65' ' ' SER . . . -52.06 -42.11 62.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.7 t -65.31 -60.36 3.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.018 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 89.7 mt -46.45 -47.82 19.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.746 ' NE2' ' HB3' ' A' ' 120' ' ' ALA . 65.8 t-80 -62.84 -46.34 88.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.619 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.81 -34.27 53.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.587 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -73.38 -36.1 66.02 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.445 1.091 . . . . 0.0 110.335 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -58.72 -56.46 21.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.143 . . . . 0.0 110.346 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.641 HD22 HD21 ' A' ' 116' ' ' LEU . 4.7 mt -54.42 -53.28 56.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.73 -36.16 0.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.14 -51.49 9.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 110.013 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.844 HD23 ' HG ' ' A' ' 116' ' ' LEU . 4.6 tp -49.34 -52.9 25.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.526 HG12 HD21 ' A' ' 97' ' ' LEU . 1.2 mp -56.94 -44.38 82.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.1 p -44.71 -35.2 2.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.991 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -77.45 -36.25 53.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 110.305 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.793 ' HB1' HG12 ' A' ' 87' ' ' ILE . . . -69.13 -69.36 0.34 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.234 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -44.94 -37.88 4.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.362 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.5 m -59.96 -42.89 95.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.379 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.47 -0.31 41.16 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.552 1.157 . . . . 0.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.7 -8.76 61.35 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.604 1.19 . . . . 0.0 111.043 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.837 HG21 HD11 ' A' ' 109' ' ' LEU . 37.0 mt 59.48 154.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 0.759 . . . . 0.0 109.322 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.676 HG23 ' H ' ' A' ' 89' ' ' GLY . 0.1 OUTLIER -36.3 -80.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.531 1.144 . . . . 0.0 110.431 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.676 ' H ' HG23 ' A' ' 88' ' ' THR . . . -134.56 54.34 0.76 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.475 1.109 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.454 ' CB ' ' HB ' ' A' ' 87' ' ' ILE . 35.6 t80 -81.18 163.75 22.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 0.765 . . . . 0.0 110.982 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.556 ' ND2' ' CD1' ' A' ' 93' ' ' LEU . 1.9 t30 -115.95 87.57 19.13 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -13.55 21.37 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.503 1.791 . . . . 0.0 110.959 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.865 HD22 ' C ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -76.17 -29.67 57.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 1.164 . . . . 0.0 109.279 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.784 ' N ' HD13 ' A' ' 93' ' ' LEU . . . -63.37 -66.67 0.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.446 ' N ' ' CD ' ' A' ' 96' ' ' PRO . . . 134.34 -53.99 0.77 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.503 1.127 . . . . 0.0 110.933 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.493 ' HB2' ' CG2' ' A' ' 99' ' ' VAL . 18.2 Cg_endo -75.03 162.48 36.98 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.439 1.757 . . . . 0.0 110.971 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.526 HD21 HG12 ' A' ' 79' ' ' ILE . 11.5 tp -120.65 -62.84 1.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.457 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 0.0 OUTLIER -46.05 -29.22 1.4 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 0.0 110.323 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.493 ' CG2' ' HB2' ' A' ' 96' ' ' PRO . 89.4 t -61.06 -44.99 99.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.475 ' CG ' ' OE1' ' A' ' 106' ' ' GLN . 21.8 mp0 -67.38 -32.79 73.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.95 -20.23 59.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.575 1.172 . . . . 0.0 109.338 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 98' ' ' ARG . 56.5 m-80 -102.74 1.24 34.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.245 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -80.35 125.01 82.08 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.612 1.195 . . . . 0.0 109.228 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 48.08 1.9 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 0.0 111.07 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -144.33 -45.43 0.25 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.475 ' OE1' ' CG ' ' A' ' 100' ' ' GLN . 28.6 mt-30 -79.65 108.94 13.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.302 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -103.19 -24.22 13.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 110.352 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -72.27 -48.35 25.42 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.55 1.156 . . . . 0.0 111.039 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.837 HD11 HG21 ' A' ' 87' ' ' ILE . 0.5 OUTLIER -75.85 -44.27 41.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 0.759 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.43 -46.43 37.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.16 -47.97 69.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -54.01 -35.72 62.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 110.234 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -67.27 -39.42 86.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.82 -46.45 84.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.289 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.43 -39.76 58.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.158 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.844 ' HG ' HD23 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -57.36 -44.57 84.49 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 1.024 ' CG ' HD13 ' A' ' 55' ' ' LEU . 48.2 t90 -61.47 -61.83 2.26 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.458 1.099 . . . . 0.0 108.068 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.676 HD21 HG22 ' A' ' 41' ' ' ILE . 85.2 mt -44.82 -31.44 1.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.734 ' HB3' ' O ' ' A' ' 116' ' ' LEU . . . -58.47 -59.02 6.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.746 ' HB3' ' NE2' ' A' ' 71' ' ' HIS . . . -61.22 -32.12 71.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.797 ' CE1' ' CZ2' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -67.04 -27.6 67.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -102.79 2.41 35.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.261 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -98.01 1.92 48.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 109.352 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.409 ' HA ' ' HD3' ' A' ' 125' ' ' PRO . 61.9 mt -73.49 147.39 87.22 Favored Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 124' ' ' LEU . 18.2 Cg_endo -75.05 56.61 4.34 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.601 1.842 . . . . 0.0 110.967 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 149.71 44.08 0.03 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.563 1.164 . . . . 0.0 111.0 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 12.8 t -129.49 40.45 3.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.428 0.722 . . . . 0.0 110.082 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -162.65 -164.22 0.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.59 -173.24 4.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -158.27 157.14 28.84 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.411 ' O ' ' HB3' ' A' ' 134' ' ' ALA . 18.4 Cg_endo -74.98 117.61 4.98 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.493 1.786 . . . . 0.0 111.031 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.81 -27.42 57.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.974 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.836 ' HA ' HD12 ' A' ' 136' ' ' ILE . 22.2 p-90 -73.03 -15.08 61.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.17 . . . . 0.0 107.968 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 131' ' ' PRO . . . -64.89 -11.86 42.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.64 34.48 3.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.021 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.836 HD12 ' HA ' ' A' ' 133' ' ' TRP . 53.2 mt -117.94 118.27 57.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.609 1.193 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -137.98 158.57 44.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.35 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' GLN . . . . . 0.581 ' HG2' ' CD2' ' A' ' 147' ' ' PHE . 0.1 OUTLIER -74.08 117.74 16.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -66.78 150.41 51.92 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.587 1.18 . . . . 0.0 111.001 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.701 HD13 ' O ' ' A' ' 140' ' ' LEU . 1.6 tm? -59.54 -22.07 61.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 0.736 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -135.33 53.29 1.98 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.269 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -126.0 160.7 55.57 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.311 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' PRO . . . . . 0.587 ' HB2' ' HB3' ' A' ' 146' ' ' ALA . 18.1 Cg_endo -75.02 80.88 2.34 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.576 1.829 . . . . 0.0 110.969 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' TYR . . . . . 1.022 ' O ' HG23 ' A' ' 148' ' ' VAL . 30.6 t80 -36.84 -51.34 0.89 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 0.0 111.024 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' HIS . . . . . 0.456 ' HA ' HD12 ' A' ' 199' ' ' LEU . 0.1 OUTLIER -54.58 -57.9 9.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.601 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.587 ' HB3' ' HB2' ' A' ' 143' ' ' PRO . . . -58.45 -39.81 80.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' PHE . . . . . 0.615 ' CZ ' HD12 ' A' ' 151' ' ' LEU . 6.6 t80 -59.9 -48.29 82.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 111.044 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 1.022 HG23 ' O ' ' A' ' 144' ' ' TYR . 21.5 t -55.5 -45.99 78.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -55.77 -57.34 12.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.424 1.078 . . . . 0.0 110.278 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 153' ' ' ILE . 6.3 ttm105 -55.29 -52.48 63.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.291 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.718 ' O ' HD12 ' A' ' 155' ' ' LEU . 0.5 OUTLIER -41.02 -41.3 1.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 152' ' ' ASN . . . . . 0.516 ' OD1' HD22 ' A' ' 169' ' ' LEU . 3.9 t30 -64.58 -48.4 75.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.448 ' N ' ' O ' ' A' ' 150' ' ' ARG . 51.1 mt -63.54 -69.31 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 154' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 153' ' ' ILE . . . -39.64 -30.85 0.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 0.718 HD12 ' O ' ' A' ' 151' ' ' LEU . 2.5 mt -68.45 -63.97 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.342 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -49.62 -22.82 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' ASN . . . . . 0.403 ' N ' ' C ' ' A' ' 155' ' ' LEU . 0.6 OUTLIER -65.26 -24.57 67.35 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -150.39 43.57 0.72 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.541 1.151 . . . . 0.0 110.975 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.671 HD12 ' HB2' ' A' ' 165' ' ' LYS . 0.3 OUTLIER -122.43 102.72 39.14 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.536 0.786 . . . . 0.0 109.335 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 139.71 24.76 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.425 1.75 . . . . 0.0 111.043 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -50.22 -31.8 14.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -59.92 -23.3 58.99 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.491 1.12 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 163' ' ' THR . . . . . 0.627 HG23 ' HD2' ' A' ' 164' ' ' PRO . 1.5 m -114.45 143.23 29.47 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.491 0.759 . . . . 0.0 110.382 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 164' ' ' PRO . . . . . 0.627 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.2 Cg_endo -74.96 147.96 34.81 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.42 1.747 . . . . 0.0 110.99 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 165' ' ' LYS . . . . . 0.671 ' HB2' HD12 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -119.75 -39.82 2.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 166' ' ' ASP . . . . . 0.503 ' N ' ' CD ' ' A' ' 167' ' ' PRO . 0.5 OUTLIER -40.3 -51.97 5.99 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 167' ' ' PRO . . . . . 0.503 ' CD ' ' N ' ' A' ' 166' ' ' ASP . 18.3 Cg_endo -74.99 -55.26 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.552 1.817 . . . . 0.0 111.003 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 168' ' ' ILE . . . . . 0.403 HG21 HD22 ' A' ' 155' ' ' LEU . 0.0 OUTLIER -41.56 -40.67 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 169' ' ' LEU . . . . . 0.516 HD22 ' OD1' ' A' ' 152' ' ' ASN . 68.2 tp -63.02 -55.86 21.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 8.4 mtm180 -57.97 -17.75 19.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.286 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 171' ' ' SER . . . . . 0.45 ' O ' ' CB ' ' A' ' 175' ' ' SER . 0.2 OUTLIER -87.49 -36.18 17.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 109.969 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.59 HD21 ' CE3' ' A' ' 133' ' ' TRP . 6.0 mt -78.74 -20.62 49.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.224 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 173' ' ' ALA . . . . . 0.55 ' O ' ' HB2' ' A' ' 177' ' ' ALA . . . -84.75 -33.99 22.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 174' ' ' TYR . . . . . 0.407 ' C ' ' N ' ' A' ' 176' ' ' ASN . 5.0 t80 -107.45 -73.27 0.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 175' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 171' ' ' SER . 0.1 OUTLIER -39.9 -31.55 0.12 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.055 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 176' ' ' ASN . . . . . 0.407 ' N ' ' C ' ' A' ' 174' ' ' TYR . 3.7 m-80 -117.26 60.31 0.76 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.419 1.074 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 177' ' ' ALA . . . . . 0.55 ' HB2' ' O ' ' A' ' 173' ' ' ALA . . . -126.31 140.0 52.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.554 1.159 . . . . 0.0 109.236 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 178' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 140' ' ' LEU . 0.7 OUTLIER -46.96 172.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.419 ' C ' ' N ' ' A' ' 181' ' ' CYS . 5.0 mtmm -61.13 -71.88 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 180' ' ' GLU . . . . . 0.403 ' HB2' HD21 ' A' ' 140' ' ' LEU . 0.1 OUTLIER -43.69 -26.4 0.24 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.261 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 181' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 184' ' ' LEU . 1.8 t -75.06 -65.09 0.92 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.558 1.161 . . . . 0.0 108.282 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -48.69 -33.98 11.09 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 110.314 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -71.35 -32.06 68.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.44 1.088 . . . . 0.0 109.218 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.631 HD11 ' HA ' ' A' ' 205' ' ' TRP . 2.8 tt -68.84 -56.2 8.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.249 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 185' ' ' LEU . . . . . 0.549 ' CD2' ' NE2' ' A' ' 190' ' ' HIS . 3.1 mt -49.19 -52.19 28.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.584 1.177 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 186' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 189' ' ' GLY . 0.1 OUTLIER -60.78 -57.77 11.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.233 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -51.01 -22.6 2.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.26 -28.86 26.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.082 . . . . 0.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 189' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 186' ' ' GLN . . . 64.76 61.26 6.04 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 190' ' ' HIS . . . . . 0.549 ' NE2' ' CD2' ' A' ' 185' ' ' LEU . 0.4 OUTLIER -154.86 29.45 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 0.732 . . . . 0.0 109.658 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 77.4 p -56.82 -61.74 2.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.425 1.078 . . . . 0.0 110.395 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -75.25 61.36 1.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.245 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 193' ' ' SER . . . . . 0.54 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER -140.78 -179.57 1.02 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.014 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 194' ' ' PRO . . . . . 0.54 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.1 Cg_endo -75.09 172.56 16.11 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.455 1.766 . . . . 0.0 110.981 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 195' ' ' LEU . . . . . 0.98 HD12 ' SD ' ' A' ' 198' ' ' MET . 9.8 tp -71.01 -40.01 72.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -45.92 -36.98 7.11 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.584 1.178 . . . . 0.0 110.936 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 197' ' ' ASP . . . . . 0.413 ' HB3' ' ND1' ' A' ' 190' ' ' HIS . 7.3 m-20 -75.08 -32.31 61.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 0.751 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 198' ' ' MET . . . . . 0.98 ' SD ' HD12 ' A' ' 195' ' ' LEU . 71.2 mtp -63.7 -37.56 87.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 199' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 145' ' ' HIS . 3.0 mm? -77.03 -24.03 52.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.19 -13.34 50.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.354 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -92.13 -29.82 16.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 202' ' ' CYS . . . . . 0.608 ' SG ' ' CD2' ' A' ' 144' ' ' TYR . 64.0 m -93.91 -21.07 19.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 108.282 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 203' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 202' ' ' CYS . 13.0 pt20 -38.15 -32.35 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 204' ' ' THR . . . . . 0.542 ' OG1' HG22 ' A' ' 206' ' ' THR . 4.6 t -114.47 -53.21 2.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.362 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 205' ' ' TRP . . . . . 0.631 ' HA ' HD11 ' A' ' 184' ' ' LEU . 5.1 t90 42.96 55.32 4.48 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 206' ' ' THR . . . . . 0.542 HG22 ' OG1' ' A' ' 204' ' ' THR . 5.8 t -169.46 138.7 1.65 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.405 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 207' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 206' ' ' THR . 18.2 Cg_endo -75.0 103.28 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.493 1.786 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 208' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.35 122.45 10.43 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.56 1.163 . . . . 0.0 109.286 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -117.93 126.52 52.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -178.94 146.1 0.3 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 109.269 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 66.3 p -134.86 98.11 3.94 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.495 1.122 . . . . 0.0 110.377 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.94 148.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 213' ' ' VAL . . . . . . . . . . . . . 7.1 p -109.65 150.54 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.321 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 214' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 24.4 p-80 -115.09 -55.52 2.46 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.477 1.111 . . . . 0.0 109.587 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 24.2 t60 71.7 -61.55 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.592 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -47.36 164.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.426 1.078 . . . . 0.0 109.546 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -138.32 -60.75 0.61 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.504 1.128 . . . . 0.0 109.627 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.44 161.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.4 168.72 9.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.588 1.18 . . . . 0.0 109.98 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -172.02 178.72 44.09 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.56 1.162 . . . . 0.0 110.959 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -154.87 167.42 30.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 0.753 . . . . 0.0 109.6 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.0 tp -166.19 153.71 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.332 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.79 -63.37 1.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.281 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 135.39 99.65 0.6 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.445 1.091 . . . . 0.0 110.943 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.445 ' HG2' ' CE1' ' A' ' 14' ' ' HIS . 16.3 ttt85 -156.96 85.13 0.95 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 0.758 . . . . 0.0 110.29 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.445 ' CE1' ' HG2' ' A' ' 13' ' ' ARG . 5.7 p80 39.46 47.22 1.53 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 0.0 109.593 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.594 ' SD ' ' CZ ' ' A' ' 48' ' ' PHE . 1.3 tpt 178.46 85.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -98.05 163.32 12.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 110.278 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -43.68 -29.77 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 111.037 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.08 -56.02 25.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -50.58 -52.02 42.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.609 HD21 ' HB2' ' A' ' 58' ' ' LEU . 14.2 mt -58.78 -38.06 77.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.9 -55.19 37.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.41 ' O ' ' CD ' ' A' ' 26' ' ' GLU . . . -54.56 -41.58 69.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.561 HD12 ' HA ' ' A' ' 20' ' ' LEU . 48.5 mt -60.74 -50.71 79.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.339 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.732 ' HA ' HD21 ' A' ' 62' ' ' LEU . 2.6 tttp -56.28 -30.3 62.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -72.83 -72.44 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.579 1.175 . . . . 0.0 110.3 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.46 ' HG3' ' CG2' ' A' ' 40' ' ' THR . 1.0 OUTLIER -45.04 -31.53 1.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.822 HG23 HG21 ' A' ' 40' ' ' THR . 3.3 t -71.83 -54.95 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.66 -48.02 2.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.981 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -54.89 -43.33 73.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.324 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 36' ' ' GLN . . . -52.61 170.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.664 ' HB3' ' HB2' ' A' ' 34' ' ' SER . . . -114.96 163.38 19.87 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.466 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.2 Cg_endo -75.02 74.71 3.93 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.498 1.789 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 142.79 -26.12 2.24 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.524 1.14 . . . . 0.0 110.958 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.664 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -65.14 141.22 98.22 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.472 0.748 . . . . 0.0 110.005 -179.899 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 51.82 2.89 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.455 1.766 . . . . 0.0 110.939 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.469 ' HB3' ' CB ' ' A' ' 30' ' ' ALA . 2.2 tp60 -120.94 -44.84 2.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 110.292 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.7 ' CD1' ' HB2' ' A' ' 128' ' ' ALA . 4.2 t80 -61.26 -61.63 2.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.604 ' HE1' HD22 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -52.14 -45.07 64.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.997 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -55.85 -44.13 77.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 110.275 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.822 HG21 HG23 ' A' ' 27' ' ' VAL . 1.1 m -57.64 -30.05 65.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 110.385 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.764 HG22 HD21 ' A' ' 118' ' ' LEU . 5.2 mm -68.47 -42.66 83.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.37 -29.21 66.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.79 -32.05 72.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.421 1.075 . . . . 0.0 109.293 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -83.16 -36.0 25.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -71.96 -25.0 23.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -95.44 -14.4 23.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 0.0 110.322 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -79.41 -76.13 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.274 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.594 ' CZ ' ' SD ' ' A' ' 15' ' ' MET . 5.2 p90 -110.24 -22.32 11.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.965 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 71.5 95.14 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.246 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.01 118.95 5.45 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.475 1.776 . . . . 0.0 110.989 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 31.5 p -56.01 164.94 1.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.416 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.455 ' HB3' ' HB2' ' A' ' 98' ' ' ARG . . . -46.36 -36.26 6.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.583 1.177 . . . . 0.0 109.31 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -62.24 -59.15 5.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.233 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -54.65 -27.8 42.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.999 HD13 ' CG ' ' A' ' 117' ' ' TRP . 12.6 mt -70.09 -46.98 63.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.076 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -52.07 -48.2 64.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.406 ' C ' ' N ' ' A' ' 59' ' ' LEU . 1.1 t70 -70.77 -53.89 13.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.259 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.609 ' HB2' HD21 ' A' ' 20' ' ' LEU . 17.1 tp -48.1 -24.43 1.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.406 ' N ' ' C ' ' A' ' 57' ' ' ASP . 34.1 tp -76.98 -50.02 14.13 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.509 1.131 . . . . 0.0 109.258 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -89.13 22.25 2.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.563 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 58.4 t80 -120.18 -36.14 3.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.732 HD21 ' HA ' ' A' ' 24' ' ' LYS . 4.2 mt -91.98 -61.96 1.52 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.437 ' SG ' HG12 ' A' ' 67' ' ' VAL . 13.7 p -86.59 179.1 6.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 108.246 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.76 -162.59 0.79 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.123 . . . . 0.0 110.029 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 64.4 m -81.8 -37.2 27.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.011 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.2 tp -55.98 -62.46 1.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.465 HG13 HD13 ' A' ' 124' ' ' LEU . 2.7 t -51.11 -52.4 18.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -49.69 -36.14 24.11 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 p -71.79 -41.68 68.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.007 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 52.6 mt -61.69 -49.0 78.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.589 1.181 . . . . 0.0 109.303 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.554 ' CD2' ' HB3' ' A' ' 120' ' ' ALA . 0.1 OUTLIER -61.9 -34.82 76.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.622 1.201 . . . . 0.0 109.565 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 8.6 m170 -56.97 -36.11 69.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.414 1.071 . . . . 0.0 109.64 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -69.84 -53.54 17.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.085 . . . . 0.0 110.328 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.421 ' OE1' ' HB1' ' A' ' 123' ' ' ALA . 0.5 OUTLIER -56.65 -45.15 81.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.762 HD11 HD21 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -58.07 -45.99 86.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -55.39 -57.59 11.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.92 -29.39 65.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.069 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.873 HD23 ' HG ' ' A' ' 116' ' ' LEU . 2.1 tp -64.58 -68.3 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.538 HD12 HD13 ' A' ' 75' ' ' LEU . 1.3 mp -50.11 -43.98 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.0 t -46.38 -40.12 11.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.436 1.085 . . . . 0.0 109.982 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -74.58 -29.27 61.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 110.301 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.91 ' HB1' HG12 ' A' ' 87' ' ' ILE . . . -65.75 -60.74 2.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -53.86 -38.86 65.14 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.4 m -65.09 -48.08 74.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 110.435 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.25 -0.02 23.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 110.265 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 73.4 93.01 0.11 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.441 1.088 . . . . 0.0 110.898 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.91 HG12 ' HB1' ' A' ' 82' ' ' ALA . 62.8 mt -57.89 151.6 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.561 0.801 . . . . 0.0 109.303 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.65 HG23 ' H ' ' A' ' 89' ' ' GLY . 0.1 OUTLIER -38.76 -84.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.432 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.65 ' H ' HG23 ' A' ' 88' ' ' THR . . . -129.2 60.26 0.68 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.512 1.132 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -82.12 148.46 28.52 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.472 0.748 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -112.6 96.24 35.82 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.413 1.071 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -28.46 9.16 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.511 1.795 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.87 HD13 ' H ' ' A' ' 94' ' ' ALA . 0.0 OUTLIER -56.59 -34.22 66.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 109.277 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.87 ' H ' HD13 ' A' ' 93' ' ' LEU . . . -65.38 -64.65 0.81 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.524 ' N ' ' CD ' ' A' ' 96' ' ' PRO . . . 124.14 -49.03 0.92 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.561 1.163 . . . . 0.0 110.948 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 95' ' ' GLY . 18.3 Cg_endo -75.04 160.7 39.71 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.412 1.743 . . . . 0.0 111.035 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.441 ' CD2' HG12 ' A' ' 79' ' ' ILE . 8.7 tp -120.77 -48.61 2.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.455 ' HB2' ' HB3' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -65.77 -16.63 63.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 110.323 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.481 ' CG2' ' HB2' ' A' ' 96' ' ' PRO . 81.8 t -73.75 -62.79 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -69.38 -6.78 32.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.273 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -83.16 -33.81 26.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.571 1.17 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.403 ' CG ' ' O ' ' A' ' 98' ' ' ARG . 1.7 m-20 -93.07 14.52 17.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.431 ' ND2' ' OE1' ' A' ' 105' ' ' GLN . 2.6 t30 -85.47 150.03 53.21 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -34.14 4.03 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.507 1.793 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.431 ' OE1' ' ND2' ' A' ' 103' ' ' ASN . 15.0 pt20 -71.35 -49.26 44.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.258 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.403 ' CD ' ' O ' ' A' ' 89' ' ' GLY . 7.0 mm100 -79.79 74.4 6.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.337 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -85.98 -16.66 37.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.227 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -69.37 -58.28 6.7 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.508 1.13 . . . . 0.0 111.049 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.867 HD11 HG21 ' A' ' 87' ' ' ILE . 0.5 OUTLIER -71.02 -18.53 62.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 0.739 . . . . 0.0 109.248 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 55.9 ttp180 -65.25 -56.32 13.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.304 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.418 ' HG3' ' N ' ' A' ' 112' ' ' GLU . 0.3 OUTLIER -69.01 -30.05 68.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.236 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.418 ' N ' ' HG3' ' A' ' 111' ' ' ARG . 27.6 tp10 -66.86 -42.61 85.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.261 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.655 ' HA ' HD22 ' A' ' 116' ' ' LEU . 2.4 t80 -64.11 -41.89 97.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -57.31 -40.52 78.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.289 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -76.63 -59.52 2.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 110.313 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.873 ' HG ' HD23 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -47.34 -33.69 6.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.568 1.167 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.999 ' CG ' HD13 ' A' ' 55' ' ' LEU . 84.6 t90 -66.54 -52.62 43.73 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.161 . . . . 0.0 108.023 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.764 HD21 HG22 ' A' ' 41' ' ' ILE . 87.0 mt -57.64 -26.11 61.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.112 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' A' ' 116' ' ' LEU . . . -62.93 -62.1 1.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.413 1.071 . . . . 0.0 109.254 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.664 ' HB3' HD23 ' A' ' 75' ' ' LEU . . . -59.42 -25.23 64.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.363 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.419 ' CZ ' ' CH2' ' A' ' 117' ' ' TRP . 0.2 OUTLIER -70.79 -38.49 73.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 0.0 110.97 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -94.66 0.15 54.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.113 . . . . 0.0 109.34 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.421 ' HB1' ' OE1' ' A' ' 74' ' ' GLN . . . -87.49 2.16 51.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.432 1.083 . . . . 0.0 109.302 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.556 HD12 ' HB2' ' A' ' 127' ' ' SER . 20.7 mt -81.02 157.45 71.28 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 53.71 3.43 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.515 1.797 . . . . 0.0 111.032 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 97.68 56.36 1.1 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.519 1.137 . . . . 0.0 111.023 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.635 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 30.0 t -44.76 148.48 0.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 0.766 . . . . 0.0 110.002 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.7 ' HB2' ' CD1' ' A' ' 37' ' ' PHE . . . 79.0 111.18 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 21.7 ttmt -166.38 144.24 5.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.451 1.094 . . . . 0.0 109.256 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 165.68 115.24 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.697 ' HG2' ' HB2' ' A' ' 134' ' ' ALA . 18.1 Cg_endo -75.02 149.87 37.22 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.451 1.764 . . . . 0.0 110.977 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.27 -29.39 57.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.978 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.808 ' HA ' HD12 ' A' ' 136' ' ' ILE . 15.7 p-90 -73.21 -11.61 60.58 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.697 ' HB2' ' HG2' ' A' ' 131' ' ' PRO . . . -66.7 -10.26 44.86 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.6 p -130.76 26.22 5.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.004 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.808 HD12 ' HA ' ' A' ' 133' ' ' TRP . 84.6 mt -114.52 116.19 51.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.217 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.405 ' HA ' ' CZ ' ' A' ' 147' ' ' PHE . 0.0 OUTLIER -143.1 160.86 39.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.275 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 138' ' ' GLN . . . . . 0.453 ' HB2' ' CD2' ' A' ' 147' ' ' PHE . 2.7 tt0 -90.65 114.08 26.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.581 1.176 . . . . 0.0 110.282 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -71.46 168.0 51.48 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.436 HD21 ' HB2' ' A' ' 180' ' ' GLU . 2.0 tm? -63.38 -35.69 81.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 0.795 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -112.21 40.52 2.18 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.565 1.166 . . . . 0.0 110.242 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.96 152.26 66.28 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.14 . . . . 0.0 110.277 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' PRO . . . . . 0.413 ' HB2' ' HB3' ' A' ' 146' ' ' ALA . 18.2 Cg_endo -74.95 119.92 5.87 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.504 1.792 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' TYR . . . . . 0.977 ' O ' HG23 ' A' ' 148' ' ' VAL . 63.8 t80 -74.72 -54.83 6.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.577 1.173 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -47.99 -49.31 31.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.592 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.413 ' HB3' ' HB2' ' A' ' 143' ' ' PRO . . . -66.5 -44.36 82.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 147' ' ' PHE . . . . . 0.511 ' CE1' HG22 ' A' ' 136' ' ' ILE . 36.5 t80 -57.21 -43.75 83.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.977 HG23 ' O ' ' A' ' 144' ' ' TYR . 14.8 t -60.49 -51.42 73.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 149' ' ' GLU . . . . . 0.454 ' O ' HD12 ' A' ' 153' ' ' ILE . 0.6 OUTLIER -54.52 -54.25 43.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 110.312 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 37.2 ttt85 -59.0 -33.89 71.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.12 . . . . 0.0 110.368 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.463 ' HB3' ' CD1' ' A' ' 169' ' ' LEU . 0.9 OUTLIER -57.29 -47.75 80.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.257 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -58.35 -46.95 85.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.454 HD12 ' O ' ' A' ' 149' ' ' GLU . 1.2 mp -60.85 -68.41 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.359 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 154' ' ' ALA . . . . . 0.404 ' N ' HG22 ' A' ' 153' ' ' ILE . . . -45.5 -28.93 1.01 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 0.461 HD21 ' CD1' ' A' ' 172' ' ' LEU . 4.2 mt -69.31 -60.01 2.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -52.78 -21.27 3.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.594 1.183 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.2 -22.92 61.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.578 1.174 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 158' ' ' GLY . . . . . 0.425 ' O ' HD22 ' A' ' 159' ' ' LEU . . . -141.52 38.39 1.52 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.746 HD12 ' HB2' ' A' ' 165' ' ' LYS . 0.5 OUTLIER -126.1 114.97 23.96 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.553 0.796 . . . . 0.0 109.349 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 166.06 30.01 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.524 1.802 . . . . 0.0 111.032 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -77.85 -6.95 55.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.317 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -112.99 34.55 5.03 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.481 1.113 . . . . 0.0 110.961 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 163' ' ' THR . . . . . 0.551 HG23 ' HD2' ' A' ' 164' ' ' PRO . 1.3 m -145.92 141.59 16.85 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.47 0.747 . . . . 0.0 110.442 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 164' ' ' PRO . . . . . 0.551 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.4 Cg_endo -74.96 131.83 14.79 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.397 1.735 . . . . 0.0 111.041 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 165' ' ' LYS . . . . . 0.746 ' HB2' HD12 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -116.1 -37.54 3.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.337 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 166' ' ' ASP . . . . . 0.496 ' N ' ' CD ' ' A' ' 167' ' ' PRO . 0.4 OUTLIER -40.54 -52.26 6.24 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 167' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 166' ' ' ASP . 18.1 Cg_endo -75.07 -49.27 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.517 1.798 . . . . 0.0 111.018 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -45.96 -47.56 5.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 169' ' ' LEU . . . . . 0.463 ' CD1' ' HB3' ' A' ' 151' ' ' LEU . 34.6 tp -59.98 -53.27 59.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.41 1.069 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 170' ' ' ARG . . . . . 0.415 ' HD2' ' N ' ' A' ' 195' ' ' LEU . 1.1 tpp180 -54.45 -19.66 6.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.3 -56.5 3.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.135 . . . . 0.0 110.0 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.547 HD21 ' CE3' ' A' ' 133' ' ' TRP . 1.4 mt -64.13 -15.01 58.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.258 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -88.68 -30.6 19.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.223 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 174' ' ' TYR . . . . . 0.446 ' O ' ' N ' ' A' ' 176' ' ' ASN . 29.8 t80 -110.47 -78.39 0.59 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 110.984 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 175' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 174' ' ' TYR . 22.9 t -37.05 -32.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.03 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 176' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 174' ' ' TYR . 13.9 m-20 -110.74 57.74 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 177' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 174' ' ' TYR . . . -134.01 142.11 47.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 178' ' ' ASN . . . . . 0.619 ' ND2' ' H ' ' A' ' 181' ' ' CYS . 7.7 p-10 -52.28 -175.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.359 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 33.6 mtmt -78.44 -49.9 12.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.341 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 180' ' ' GLU . . . . . 0.436 ' HB2' HD21 ' A' ' 140' ' ' LEU . 25.2 tt0 -54.05 -36.34 62.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.31 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 181' ' ' CYS . . . . . 0.619 ' H ' ' ND2' ' A' ' 178' ' ' ASN . 19.1 t -69.94 -67.41 0.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 108.267 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -46.15 -43.35 14.98 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.553 1.158 . . . . 0.0 110.289 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 183' ' ' LYS . . . . . 0.561 ' O ' ' HB2' ' A' ' 187' ' ' ALA . 29.3 ttpt -62.44 -34.52 76.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.774 HD11 ' HA ' ' A' ' 205' ' ' TRP . 3.1 tt -66.48 -46.83 74.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 185' ' ' LEU . . . . . 0.461 HD11 ' HE2' ' A' ' 198' ' ' MET . 9.8 mt -61.3 -65.6 0.67 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.487 1.117 . . . . 0.0 109.232 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 186' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.13 -40.48 32.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.4 1.063 . . . . 0.0 110.288 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 187' ' ' ALA . . . . . 0.561 ' HB2' ' O ' ' A' ' 183' ' ' LYS . . . -58.75 -37.43 76.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 188' ' ' ARG . . . . . 0.426 ' HD2' ' HB1' ' A' ' 201' ' ' ALA . 0.5 OUTLIER -75.31 -3.67 34.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.319 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 60.58 39.84 97.04 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.557 1.161 . . . . 0.0 111.034 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 190' ' ' HIS . . . . . 0.621 ' CG ' ' O ' ' A' ' 190' ' ' HIS . 0.1 OUTLIER -150.04 102.58 3.12 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.549 0.793 . . . . 0.0 109.591 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 1.8 p -121.09 -54.86 2.0 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 110.439 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 192' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 193' ' ' SER . 5.1 t-20 -61.37 -22.3 64.82 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.475 1.11 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 193' ' ' SER . . . . . 0.495 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER -49.27 178.21 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.972 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 194' ' ' PRO . . . . . 0.495 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.2 Cg_endo -75.0 -167.73 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.441 1.759 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 195' ' ' LEU . . . . . 0.51 HD21 ' CG1' ' A' ' 148' ' ' VAL . 9.9 tp -85.04 -50.59 7.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.428 1.08 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -44.83 -34.96 4.16 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.452 1.095 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 197' ' ' ASP . . . . . 0.503 ' HB3' ' CE1' ' A' ' 190' ' ' HIS . 0.2 OUTLIER -69.16 -39.74 78.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.746 . . . . 0.0 109.325 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 198' ' ' MET . . . . . 0.509 ' SD ' HD12 ' A' ' 195' ' ' LEU . 72.5 mtp -66.23 -35.22 79.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 199' ' ' LEU . . . . . 0.753 HD21 HG11 ' A' ' 148' ' ' VAL . 4.0 mm? -74.11 -20.49 60.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.0 -17.26 33.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ALA . . . . . 0.426 ' HB1' ' HD2' ' A' ' 188' ' ' ARG . . . -90.85 -34.59 15.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.163 . . . . 0.0 109.209 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 202' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 203' ' ' GLN . 0.0 OUTLIER -87.81 -19.09 27.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 108.266 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 203' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 202' ' ' CYS . 9.9 pt20 -37.41 -39.47 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.277 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 204' ' ' THR . . . . . 0.439 HG23 ' N ' ' A' ' 205' ' ' TRP . 5.9 t -107.66 -49.96 3.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.405 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 205' ' ' TRP . . . . . 0.774 ' HA ' HD11 ' A' ' 184' ' ' LEU . 5.5 t90 43.72 59.61 3.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 107.984 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 206' ' ' THR . . . . . 0.422 ' HA ' ' HD3' ' A' ' 207' ' ' PRO . 1.1 t -166.99 136.78 2.37 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.429 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 207' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 206' ' ' THR . 18.3 Cg_endo -74.99 162.09 37.73 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.586 1.835 . . . . 0.0 110.958 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 208' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.44 135.96 0.45 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . 19.1 t70 175.57 142.36 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.44 1.087 . . . . 0.0 109.322 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.0 169.38 15.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.236 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 9.3 t -153.3 131.15 11.66 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.585 1.178 . . . . 0.0 110.402 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 64.01 86.31 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.333 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 213' ' ' VAL . . . . . . . . . . . . . 5.3 m -90.01 -41.63 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 109.312 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 214' ' ' LEU . . . . . . . . . . . . . 11.7 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 179.983 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 7.2 p80 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 22.7 p-80 -175.33 150.08 1.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.632 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 178.57 147.42 0.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.627 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 179.82 142.27 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.585 1.178 . . . . 0.0 109.524 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -175.21 159.74 2.59 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.489 1.118 . . . . 0.0 109.571 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -176.2 143.93 0.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.044 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 54.4 p -177.17 162.25 1.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.023 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 163.75 144.72 4.13 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.541 1.151 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -175.88 117.99 0.15 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 0.776 . . . . 0.0 109.604 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.1 mp -143.46 149.54 18.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -62.86 173.98 1.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -101.33 148.27 17.95 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.534 1.146 . . . . 0.0 110.974 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.405 ' O ' ' CG ' ' A' ' 13' ' ' ARG . 1.0 OUTLIER 177.07 66.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 0.762 . . . . 0.0 110.294 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER 40.33 49.16 2.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.569 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.554 ' HE1' HD21 ' A' ' 20' ' ' LEU . 1.6 ttt 46.91 98.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.988 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.8 pm0 -80.08 154.97 27.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 110.32 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.5 tpt -45.41 -34.21 2.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.5 ttpt -59.3 -43.1 92.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -55.97 -56.57 19.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.554 HD21 ' HE1' ' A' ' 15' ' ' MET . 37.4 mt -55.09 -41.93 72.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.262 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -58.0 -57.06 14.47 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.507 1.13 . . . . 0.0 110.287 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.67 -47.88 76.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.579 ' O ' HG23 ' A' ' 27' ' ' VAL . 68.3 mt -52.14 -49.95 37.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.485 ' HG3' ' CE2' ' A' ' 61' ' ' TYR . 0.0 OUTLIER -50.21 -34.91 24.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -70.71 -72.12 0.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.162 . . . . 0.0 110.222 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.926 ' OE1' HG23 ' A' ' 40' ' ' THR . 8.4 pt-20 -44.23 -26.84 0.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 23' ' ' ILE . 34.9 t -75.55 -49.71 26.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.3 m -44.55 -41.86 6.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 110.017 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -60.04 -37.31 79.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 110.315 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' A' ' 27' ' ' VAL . . . -44.91 166.76 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.23 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.665 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -109.33 170.0 5.85 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.665 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.4 Cg_endo -74.97 115.79 4.39 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.505 1.792 . . . . 0.0 111.019 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.65 59.12 11.37 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.496 1.122 . . . . 0.0 110.979 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -139.56 158.95 67.34 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.497 0.763 . . . . 0.0 110.008 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 48.57 2.06 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.528 1.804 . . . . 0.0 110.94 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.7 tp60 -121.85 -52.49 2.0 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.451 ' CE1' HD11 ' A' ' 41' ' ' ILE . 1.7 t80 -60.62 -60.63 3.49 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.652 ' HE1' HD22 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -51.77 -49.1 63.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 110.974 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -49.4 -46.39 47.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.274 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.926 HG23 ' OE1' ' A' ' 26' ' ' GLU . 3.6 m -57.72 -31.19 66.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.422 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.835 HG22 HD21 ' A' ' 118' ' ' LEU . 15.5 mm -64.66 -53.06 46.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -29.68 69.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.595 1.184 . . . . 0.0 110.331 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.528 HD13 ' O ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -66.54 -43.24 85.68 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.09 -29.82 64.49 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.491 HG22 ' HD2' ' A' ' 50' ' ' PRO . 1.2 t -71.72 -42.54 70.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -78.33 -9.29 59.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 110.29 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.443 ' CA ' ' OE1' ' A' ' 47' ' ' GLN . 0.1 OUTLIER -80.64 -70.35 0.53 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 110.364 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.433 ' O ' ' CB ' ' A' ' 49' ' ' ASP . 14.2 p90 -114.18 -30.61 6.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 111.043 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.433 ' CB ' ' O ' ' A' ' 48' ' ' PHE . 2.4 m-20 77.56 94.54 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.491 ' HD2' HG22 ' A' ' 45' ' ' VAL . 18.4 Cg_endo -74.89 133.35 16.66 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.537 1.809 . . . . 0.0 111.064 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.1 p -66.47 -174.94 0.32 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.539 1.149 . . . . 0.0 110.483 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.33 -41.64 97.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.414 ' HD2' ' ND2' ' A' ' 102' ' ' ASN . 9.6 mttt -63.08 -62.64 1.57 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -46.85 -40.49 14.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.233 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 1.086 HD13 ' CG ' ' A' ' 117' ' ' TRP . 12.2 mt -61.43 -41.76 97.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.365 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.05 -54.57 33.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.264 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -64.73 -47.02 79.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.336 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.551 HD22 ' HE1' ' A' ' 15' ' ' MET . 17.8 tp -51.86 -31.68 28.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.679 HD12 ' CB ' ' A' ' 63' ' ' CYS . 33.4 tp -67.03 -58.12 5.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.65 -10.34 26.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.598 1.186 . . . . 0.0 110.372 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.485 ' CE2' ' HG3' ' A' ' 24' ' ' LYS . 1.4 t80 -78.13 -55.22 5.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.085 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 19.7 mt -106.36 -62.2 1.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.679 ' CB ' HD12 ' A' ' 59' ' ' LEU . 1.4 m -46.26 112.12 0.45 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.429 1.081 . . . . 0.0 108.295 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.52 -179.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.048 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.43 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 7.1 t -59.57 -63.62 1.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.029 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.415 ' HG ' HD12 ' A' ' 70' ' ' LEU . 24.0 tp -56.78 -55.19 37.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.3 t -46.4 -46.16 6.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 65' ' ' SER . . . -53.46 -46.7 70.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.4 t -60.23 -60.79 3.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 110.025 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.415 HD12 ' HG ' ' A' ' 66' ' ' LEU . 2.6 mt -46.82 -44.98 19.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.163 . . . . 0.0 109.343 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.463 ' CE1' ' HB3' ' A' ' 120' ' ' ALA . 5.8 t-80 -62.25 -48.53 79.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.577 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.87 -40.13 75.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.651 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.22 -62.11 2.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 110.34 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -55.25 -19.06 7.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.299 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.851 HD13 ' CD1' ' A' ' 79' ' ' ILE . 0.3 OUTLIER -77.09 -57.15 4.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -48.4 -45.9 36.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.7 t -67.13 -34.54 77.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.007 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.778 HD23 ' HG ' ' A' ' 116' ' ' LEU . 1.2 tp -58.09 -60.62 3.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.171 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.851 ' CD1' HD13 ' A' ' 75' ' ' LEU . 2.8 mp -48.05 -47.98 12.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.451 ' O ' ' CB ' ' A' ' 84' ' ' THR . 29.5 t -50.01 -30.54 10.84 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.549 1.156 . . . . 0.0 109.987 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -71.91 -48.71 43.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.53 ' HB1' ' CG1' ' A' ' 87' ' ' ILE . . . -57.78 -60.52 3.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.401 ' CG ' ' HA ' ' A' ' 80' ' ' SER . 0.0 OUTLIER -53.58 -43.0 68.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 110.301 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.451 ' CB ' ' O ' ' A' ' 80' ' ' SER . 2.1 m -57.76 -46.45 84.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.446 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.03 -0.97 20.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.36 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 62.38 75.58 0.31 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.426 1.078 . . . . 0.0 110.981 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.624 HD13 HD21 ' A' ' 109' ' ' LEU . 19.0 mt -40.95 155.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.531 0.783 . . . . 0.0 109.324 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.775 HG23 ' H ' ' A' ' 89' ' ' GLY . 0.0 OUTLIER -37.71 -70.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.4 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.775 ' H ' HG23 ' A' ' 88' ' ' THR . . . -140.52 60.97 0.56 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.467 1.104 . . . . 0.0 111.041 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.453 ' CB ' ' HB ' ' A' ' 87' ' ' ILE . 2.3 t80 -79.27 137.69 37.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 0.78 . . . . 0.0 111.01 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.559 ' CG ' HD12 ' A' ' 93' ' ' LEU . 3.6 t-20 -86.47 125.1 68.58 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 0.0 109.24 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -29.55 8.08 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.447 1.762 . . . . 0.0 111.016 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.975 HD13 ' N ' ' A' ' 94' ' ' ALA . 0.0 OUTLIER -63.84 -17.02 62.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.975 ' N ' HD13 ' A' ' 93' ' ' LEU . . . -97.94 52.39 1.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.255 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 94' ' ' ALA . . . -33.39 -54.62 0.59 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.55 1.156 . . . . 0.0 111.037 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.443 ' CD ' ' N ' ' A' ' 95' ' ' GLY . 18.2 Cg_endo -75.07 96.67 1.03 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.534 1.807 . . . . 0.0 110.984 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.811 HD22 ' CG1' ' A' ' 79' ' ' ILE . 6.4 tp -50.89 -36.98 40.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.445 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 10.9 ptt85 -58.61 -33.72 70.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.6 t -79.61 -32.51 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.62 ' HB2' ' HB1' ' A' ' 94' ' ' ALA . 0.0 OUTLIER -71.73 -54.78 9.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 110.287 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.647 ' HB2' ' CD2' ' A' ' 113' ' ' TYR . . . -49.17 -43.31 41.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 98' ' ' ARG . 90.5 m-20 -51.27 -25.57 5.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -79.68 131.7 63.57 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -23.74 13.48 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.461 1.769 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -59.61 -28.5 67.24 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.55 1.156 . . . . 0.0 110.339 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -96.29 50.99 1.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.71 -45.9 49.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.28 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -56.23 -55.74 27.85 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.624 HD21 HD13 ' A' ' 87' ' ' ILE . 0.6 OUTLIER -63.61 -41.95 98.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 0.788 . . . . 0.0 109.329 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 11.8 ttt-85 -50.1 -36.69 30.56 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.11 . . . . 0.0 110.299 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.44 -53.68 10.1 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.518 1.136 . . . . 0.0 110.311 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -53.07 -36.32 60.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.168 . . . . 0.0 110.271 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.647 ' CD2' ' HB2' ' A' ' 101' ' ' ALA . 4.5 t80 -65.8 -46.09 79.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.988 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -53.41 -49.47 67.21 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.46 1.1 . . . . 0.0 110.3 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.07 -30.95 67.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.34 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.778 ' HG ' HD23 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -65.2 -39.84 93.38 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.443 1.089 . . . . 0.0 109.307 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 1.086 ' CG ' HD13 ' A' ' 55' ' ' LEU . 47.7 t90 -63.5 -63.52 1.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 108.004 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.835 HD21 HG22 ' A' ' 41' ' ' ILE . 80.4 mt -50.93 -27.23 7.13 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.624 ' HB3' HD21 ' A' ' 78' ' ' LEU . . . -64.45 -62.63 1.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.41 1.068 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.463 ' HB3' ' CE1' ' A' ' 71' ' ' HIS . . . -57.74 -26.36 61.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.515 ' CZ ' ' SG ' ' A' ' 63' ' ' CYS . 0.8 OUTLIER -71.88 -51.02 24.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -74.89 -2.59 27.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.344 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -83.93 -3.0 57.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 64.1 mt -73.06 157.73 88.08 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.584 1.177 . . . . 0.0 109.328 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 141.26 26.48 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.508 1.794 . . . . 0.0 111.039 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 53.66 20.15 11.54 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.495 1.122 . . . . 0.0 110.963 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.05 98.51 8.33 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.555 0.797 . . . . 0.0 109.936 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 62.37 107.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.49 -65.22 0.98 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.565 1.166 . . . . 0.0 109.258 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.438 ' CB ' ' CD ' ' A' ' 131' ' ' PRO . 0.3 OUTLIER -151.78 174.48 3.57 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.606 ' HG2' ' HB2' ' A' ' 134' ' ' ALA . 18.3 Cg_endo -75.08 162.17 37.36 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.435 1.755 . . . . 0.0 110.997 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.3 -34.2 65.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.983 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.769 ' HA ' HD12 ' A' ' 136' ' ' ILE . 21.9 p-90 -72.41 -13.66 61.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 108.062 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.606 ' HB2' ' HG2' ' A' ' 131' ' ' PRO . . . -63.17 -12.89 31.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.443 1.089 . . . . 0.0 109.279 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 29.2 t -134.82 36.87 3.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.98 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.769 HD12 ' HA ' ' A' ' 133' ' ' TRP . 54.5 mt -117.02 118.03 57.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.352 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.578 ' O ' ' CE1' ' A' ' 147' ' ' PHE . 0.2 OUTLIER -136.97 151.36 48.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.573 1.17 . . . . 0.0 109.277 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 138' ' ' GLN . . . . . 0.561 ' HG3' ' CD2' ' A' ' 144' ' ' TYR . 0.0 OUTLIER -65.76 117.45 8.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.174 . . . . 0.0 110.295 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -71.21 149.8 46.29 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.538 1.149 . . . . 0.0 111.042 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.49 ' N ' ' ND2' ' A' ' 178' ' ' ASN . 1.7 tm? -61.53 -40.6 95.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.551 0.794 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -111.2 39.78 2.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -125.5 159.52 60.05 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 110.268 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' PRO . . . . . 0.58 ' HB2' ' HB3' ' A' ' 146' ' ' ALA . 18.5 Cg_endo -74.96 105.12 2.02 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.483 1.781 . . . . 0.0 111.045 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' TYR . . . . . 0.576 ' O ' HG23 ' A' ' 148' ' ' VAL . 5.0 t80 -55.74 -58.67 6.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 145' ' ' HIS . . . . . 0.485 ' HA ' ' CD1' ' A' ' 199' ' ' LEU . 0.0 OUTLIER -49.05 -51.44 31.21 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.498 1.124 . . . . 0.0 109.681 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.58 ' HB3' ' HB2' ' A' ' 143' ' ' PRO . . . -58.09 -39.78 79.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 147' ' ' PHE . . . . . 0.578 ' CE1' ' O ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -62.75 -43.61 98.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.613 1.195 . . . . 0.0 110.947 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.706 HG11 HD21 ' A' ' 199' ' ' LEU . 46.3 t -60.29 -51.06 77.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 149' ' ' GLU . . . . . 0.584 ' O ' HD12 ' A' ' 153' ' ' ILE . 25.4 tt0 -53.2 -54.39 36.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 110.258 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 7.8 ttt-85 -59.34 -41.13 88.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 110.34 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.775 ' O ' HD12 ' A' ' 155' ' ' LEU . 1.0 OUTLIER -50.89 -38.23 48.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -67.69 -45.82 74.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.584 HD12 ' O ' ' A' ' 149' ' ' GLU . 1.5 mp -62.83 -69.63 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.334 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -41.94 -28.97 0.19 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.52 1.138 . . . . 0.0 109.341 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 0.775 HD12 ' O ' ' A' ' 151' ' ' LEU . 6.9 mt -73.68 -59.23 2.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -46.11 -24.79 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 157' ' ' ASN . . . . . 0.417 ' N ' ' C ' ' A' ' 155' ' ' LEU . 3.1 m-80 -78.12 -42.77 30.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 158' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 155' ' ' LEU . . . -125.85 50.33 0.88 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.512 1.132 . . . . 0.0 111.013 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.738 HD21 HD13 ' A' ' 168' ' ' ILE . 0.2 OUTLIER -156.52 101.94 2.02 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.452 0.736 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 157.88 42.6 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.417 1.746 . . . . 0.0 110.956 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 163' ' ' THR . 0.0 OUTLIER -60.5 -53.94 51.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.34 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 162' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 161' ' ' GLU . . . -37.64 -30.41 0.06 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.433 1.083 . . . . 0.0 110.916 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 163' ' ' THR . . . . . 0.704 HG23 ' HD2' ' A' ' 164' ' ' PRO . 2.0 m -96.31 145.27 29.27 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.77 . . . . 0.0 110.41 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 164' ' ' PRO . . . . . 0.704 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.1 Cg_endo -75.03 130.95 13.71 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.522 1.801 . . . . 0.0 110.928 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 1.2 tmpt? -111.03 -29.91 7.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 166' ' ' ASP . . . . . 0.513 ' N ' ' CD ' ' A' ' 167' ' ' PRO . 0.3 OUTLIER -47.26 -52.09 37.76 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 167' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 166' ' ' ASP . 18.4 Cg_endo -74.99 -48.02 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.491 1.785 . . . . 0.0 110.987 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 168' ' ' ILE . . . . . 0.738 HD13 HD21 ' A' ' 159' ' ' LEU . 0.3 OUTLIER -51.12 -41.84 24.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 169' ' ' LEU . . . . . 0.484 ' CD1' ' HB3' ' A' ' 151' ' ' LEU . 13.6 tp -64.3 -55.3 22.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 109.348 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 77.6 mtm-85 -59.1 -15.35 13.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.591 1.182 . . . . 0.0 110.252 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.63 -48.66 8.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 110.01 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.606 HD12 HD11 ' A' ' 155' ' ' LEU . 5.0 mt -68.72 -16.51 63.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 173' ' ' ALA . . . . . 0.698 ' O ' ' HB2' ' A' ' 177' ' ' ALA . . . -86.08 -50.21 7.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 174' ' ' TYR . . . . . 0.531 ' CE1' ' HG2' ' A' ' 182' ' ' GLN . 6.1 t80 -96.02 -69.54 0.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 1.2 t -38.91 -38.04 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.421 1.076 . . . . 0.0 110.096 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 176' ' ' ASN . . . . . 0.524 ' CB ' HD23 ' A' ' 137' ' ' LEU . 2.3 m-80 -110.4 54.83 0.66 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.505 1.128 . . . . 0.0 109.25 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 177' ' ' ALA . . . . . 0.698 ' HB2' ' O ' ' A' ' 173' ' ' ALA . . . -120.3 148.32 43.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.218 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 178' ' ' ASN . . . . . 0.49 ' ND2' ' N ' ' A' ' 140' ' ' LEU . 0.9 OUTLIER -54.31 -171.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -75.62 -57.27 3.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -62.2 -14.98 43.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.269 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 181' ' ' CYS . . . . . 0.455 ' CB ' ' HB1' ' A' ' 177' ' ' ALA . 64.0 m -78.92 -61.1 2.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 108.342 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 182' ' ' GLN . . . . . 0.531 ' HG2' ' CE1' ' A' ' 174' ' ' TYR . 54.6 mt-30 -54.19 -37.21 64.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.295 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -31.16 70.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.659 HD11 ' HA ' ' A' ' 205' ' ' TRP . 2.0 tt -67.41 -52.43 39.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 185' ' ' LEU . . . . . 0.639 HD11 ' CE ' ' A' ' 198' ' ' MET . 12.7 mt -59.43 -50.78 72.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 186' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.71 -53.07 61.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.319 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -51.88 -39.82 59.62 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.452 1.095 . . . . 0.0 109.225 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.55 -14.09 60.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 68.91 16.59 70.59 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.523 1.139 . . . . 0.0 111.032 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 190' ' ' HIS . . . . . 0.573 ' CG ' ' O ' ' A' ' 190' ' ' HIS . 0.1 OUTLIER -126.53 106.41 9.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 0.758 . . . . 0.0 109.564 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 1.4 p -121.35 -51.26 2.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.351 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -88.36 49.16 1.74 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.265 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 193' ' ' SER . . . . . 0.516 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER -117.78 179.02 0.89 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.581 1.175 . . . . 0.0 109.981 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 194' ' ' PRO . . . . . 0.516 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.3 Cg_endo -74.99 164.62 33.02 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.522 1.801 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 195' ' ' LEU . . . . . 0.474 ' HG ' ' CD2' ' A' ' 199' ' ' LEU . 7.3 tp -60.43 -42.69 96.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.226 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -45.03 -44.23 8.99 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.522 1.139 . . . . 0.0 111.063 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 197' ' ' ASP . . . . . 0.536 ' HB3' ' CE1' ' A' ' 190' ' ' HIS . 0.1 OUTLIER -71.8 -31.2 66.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 0.0 109.317 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 198' ' ' MET . . . . . 0.639 ' CE ' HD11 ' A' ' 185' ' ' LEU . 36.4 mmm -68.42 -35.9 78.31 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 110.972 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 199' ' ' LEU . . . . . 0.706 HD21 HG11 ' A' ' 148' ' ' VAL . 3.8 mm? -78.37 -19.11 54.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.32 -20.12 32.58 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.453 1.096 . . . . 0.0 110.257 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -85.63 -45.52 11.64 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.567 1.167 . . . . 0.0 109.282 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 202' ' ' CYS . . . . . . . . . . . . . 16.9 p -75.85 -18.98 59.24 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.524 1.14 . . . . 0.0 108.316 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 203' ' ' GLN . . . . . 0.433 ' CG ' ' N ' ' A' ' 204' ' ' THR . 14.4 pt20 -39.42 -42.79 1.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.31 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 204' ' ' THR . . . . . 0.433 ' N ' ' CG ' ' A' ' 203' ' ' GLN . 3.2 t -107.55 -47.48 3.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.417 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 205' ' ' TRP . . . . . 0.659 ' HA ' HD11 ' A' ' 184' ' ' LEU . 4.8 t90 41.13 59.49 2.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 107.99 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 206' ' ' THR . . . . . 0.68 ' O ' HG23 ' A' ' 206' ' ' THR . 15.1 t -117.33 93.37 42.68 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.095 . . . . 0.0 110.44 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 73.94 4.13 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.473 1.775 . . . . 0.0 110.988 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 208' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.07 -178.84 3.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . 37.0 p-10 -138.38 135.23 35.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -120.81 178.23 4.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 15.3 t -99.02 -20.49 16.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.145 . . . . 0.0 110.4 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 4.5 mmtm 43.21 90.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.406 1.066 . . . . 0.0 109.284 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 213' ' ' VAL . . . . . . . . . . . . . 35.5 m -49.08 175.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.355 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 214' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 -179.975 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -123.14 149.2 44.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.622 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 36.2 m-70 -88.2 -63.13 1.35 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.596 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 66.08 105.47 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.566 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 53.8 m80 -92.45 134.48 34.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 109.63 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -172.16 94.34 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 110.024 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -153.18 159.79 42.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 109.926 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -169.04 166.2 39.52 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.448 1.093 . . . . 0.0 110.953 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -161.94 84.63 0.6 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 0.737 . . . . 0.0 109.559 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.5 mp -83.67 -64.02 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -136.14 132.74 36.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.275 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -122.16 168.99 14.77 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.417 1.073 . . . . 0.0 111.018 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.505 ' O ' ' CD2' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -130.3 137.21 49.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 110.273 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.505 ' CD2' ' O ' ' A' ' 13' ' ' ARG . 3.4 p-80 40.07 49.26 2.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.599 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.566 ' HG2' ' CZ ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER 175.21 77.35 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.603 1.19 . . . . 0.0 111.034 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.6 pm0 -79.92 155.24 27.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.257 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.76 -27.38 1.98 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 111.004 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -40.28 94.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -56.26 -55.87 27.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.148 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.823 ' HA ' HD12 ' A' ' 23' ' ' ILE . 4.3 mt -57.37 -39.37 75.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.399 1.062 . . . . 0.0 109.288 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.62 -48.39 79.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.332 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.62 -43.0 99.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.566 1.166 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.823 HD12 ' HA ' ' A' ' 20' ' ' LEU . 18.3 mt -57.41 -40.62 75.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.267 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -32.22 71.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.571 1.17 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.7 tm0? -71.22 -59.46 2.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 110.31 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.628 ' CD ' HG23 ' A' ' 40' ' ' THR . 4.1 pt-20 -60.6 -14.6 21.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 110.255 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.61 HG13 ' HD2' ' A' ' 37' ' ' PHE . 20.0 t -91.4 -26.99 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.247 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.5 t -70.8 -29.32 65.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.09 . . . . 0.0 109.969 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.33 -22.76 51.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 110.333 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.472 ' CB ' ' HB3' ' A' ' 36' ' ' GLN . . . -61.73 167.48 3.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.414 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -113.13 161.89 24.66 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.259 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.414 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.5 Cg_endo -74.93 112.07 3.47 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.467 1.772 . . . . 0.0 111.045 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.7 40.31 15.33 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.8 p -129.53 152.52 79.8 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.771 . . . . 0.0 109.982 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 51.31 2.72 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.49 1.784 . . . . 0.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.472 ' HB3' ' CB ' ' A' ' 30' ' ' ALA . 3.6 tp60 -121.16 -58.06 1.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 110.286 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.61 ' HD2' HG13 ' A' ' 27' ' ' VAL . 1.4 t80 -57.0 -54.34 47.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.414 1.071 . . . . 0.0 110.953 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.464 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 10.4 tpt -57.72 -54.15 50.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -46.86 -41.07 15.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.289 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.628 HG23 ' CD ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -60.64 -37.21 80.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 110.395 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.795 HG22 HD21 ' A' ' 118' ' ' LEU . 7.2 mm -60.83 -44.17 97.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -64.75 -31.78 73.16 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.46 1.1 . . . . 0.0 110.285 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.402 ' O ' HD13 ' A' ' 43' ' ' LEU . 0.4 OUTLIER -63.85 -41.11 97.88 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.486 1.116 . . . . 0.0 109.248 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.1 -42.83 65.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.342 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.506 HG11 HD11 ' A' ' 118' ' ' LEU . 0.9 OUTLIER -67.23 -18.35 23.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -102.61 -5.61 23.68 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 0.0 110.34 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -86.24 -70.43 0.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.566 ' CZ ' ' HG2' ' A' ' 15' ' ' MET . 0.3 OUTLIER -121.95 -4.78 9.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.998 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.7 t0 56.68 96.49 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.117 . . . . 0.0 109.24 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 128.78 11.77 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.459 1.768 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.9 p -56.96 -171.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.457 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.37 -51.97 25.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.585 1.178 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.454 ' CD ' ' OD1' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -50.48 -45.88 56.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.454 ' OD1' ' CD ' ' A' ' 53' ' ' LYS . 2.1 m-20 -58.21 -51.04 71.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.965 HD13 ' CG ' ' A' ' 117' ' ' TRP . 22.1 mt -53.14 -45.96 68.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -48.82 -48.19 41.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.238 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.4 ' C ' ' N ' ' A' ' 59' ' ' LEU . 5.1 t70 -70.62 -51.29 29.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.513 HD11 HD12 ' A' ' 62' ' ' LEU . 22.1 tp -50.19 -23.0 1.93 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.437 1.086 . . . . 0.0 109.275 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.4 ' N ' ' C ' ' A' ' 57' ' ' ASP . 53.9 tp -78.1 -51.71 9.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.613 1.195 . . . . 0.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -89.77 23.47 2.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.366 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.575 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 48.3 t80 -120.68 -41.53 2.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 110.969 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.515 ' HA ' HD23 ' A' ' 62' ' ' LEU . 3.5 mt -91.75 -51.78 5.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 95.8 m -93.01 -173.37 3.26 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.422 1.076 . . . . 0.0 108.334 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.85 179.27 4.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.973 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.512 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 31.3 t -60.37 -52.4 65.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 110.048 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 17.8 tp -44.55 -64.8 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.6 t -50.5 -45.07 25.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.239 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.512 ' HB3' ' O ' ' A' ' 65' ' ' SER . . . -52.43 -38.77 59.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.369 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.2 m -75.7 -45.26 37.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 110.05 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.413 ' O ' ' CB ' ' A' ' 73' ' ' GLN . 14.5 mt -53.67 -57.61 10.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.416 1.073 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.663 ' CE1' ' HB3' ' A' ' 120' ' ' ALA . 0.4 OUTLIER -52.15 -45.92 65.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.591 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -58.38 -17.17 18.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.577 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.413 ' CB ' ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -77.3 -67.22 0.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.467 ' OE1' ' CB ' ' A' ' 123' ' ' ALA . 0.3 OUTLIER -61.89 -27.86 69.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.423 1.077 . . . . 0.0 110.304 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.6 HD21 ' CD2' ' A' ' 116' ' ' LEU . 1.7 tm? -73.92 -53.14 10.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.387 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -45.32 -46.96 13.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.354 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.7 t -60.64 -43.0 98.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.989 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.905 HD23 ' HG ' ' A' ' 116' ' ' LEU . 13.3 tp -58.55 -39.71 81.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.915 HD12 ' CD2' ' A' ' 97' ' ' LEU . 50.6 mm -55.16 -55.26 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.75 -27.45 12.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.585 1.178 . . . . 0.0 109.995 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -66.79 -42.03 86.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.3 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.521 ' HB1' ' CG1' ' A' ' 87' ' ' ILE . . . -63.73 -55.73 21.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.546 ' HG2' ' CE2' ' A' ' 90' ' ' TYR . 6.3 mt-10 -58.8 -41.63 87.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.344 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.8 m -62.19 -45.63 92.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 110.391 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.5 -1.84 23.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.1 . . . . 0.0 110.316 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 64.6 84.37 0.08 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.483 1.114 . . . . 0.0 110.978 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.521 ' CG1' ' HB1' ' A' ' 82' ' ' ALA . 12.5 mt -51.28 166.34 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.533 0.784 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.504 ' N ' HG22 ' A' ' 87' ' ' ILE . 10.2 t -86.08 -49.46 7.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 0.0 110.388 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.44 ' N ' HG23 ' A' ' 88' ' ' THR . . . -119.82 66.48 0.41 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.564 1.165 . . . . 0.0 110.964 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.552 ' CD1' ' OE1' ' A' ' 100' ' ' GLN . 83.6 t80 -128.8 141.2 51.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.423 0.719 . . . . 0.0 110.951 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.507 ' OD1' HD12 ' A' ' 93' ' ' LEU . 3.0 m-20 -112.95 99.3 48.14 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -24.18 13.11 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.517 1.798 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.912 HD13 ' N ' ' A' ' 94' ' ' ALA . 0.0 OUTLIER -58.63 -34.8 71.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.158 . . . . 0.0 109.286 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.912 ' N ' HD13 ' A' ' 93' ' ' LEU . . . -65.95 -63.53 1.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.262 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.538 ' N ' ' CD ' ' A' ' 96' ' ' PRO . . . 124.64 -49.01 0.93 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.538 ' CD ' ' N ' ' A' ' 95' ' ' GLY . 18.2 Cg_endo -74.99 163.25 35.72 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.513 1.796 . . . . 0.0 111.034 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.915 ' CD2' HD12 ' A' ' 79' ' ' ILE . 18.4 tp -120.01 -47.09 2.4 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.41 -32.78 68.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.328 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 82.1 t -60.36 -39.78 81.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.441 1.088 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.552 ' OE1' ' CD1' ' A' ' 90' ' ' TYR . 41.6 mt-30 -72.59 -36.41 68.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.52 -16.91 58.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -71.1 -25.64 62.69 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.411 ' ND2' ' HA ' ' A' ' 100' ' ' GLN . 11.7 p30 -103.61 134.42 19.75 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.4 ' C ' ' N ' ' A' ' 106' ' ' GLN . 18.2 Cg_endo -75.1 -14.94 20.78 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.579 1.831 . . . . 0.0 110.968 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -41.66 -30.08 0.21 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.464 1.103 . . . . 0.0 110.234 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.518 ' NE2' ' HB3' ' A' ' 100' ' ' GLN . 1.0 OUTLIER -123.25 66.33 0.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.334 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.43 -20.55 2.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.249 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -58.52 -50.05 70.8 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.522 1.139 . . . . 0.0 111.022 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.789 HD23 ' CG ' ' A' ' 112' ' ' GLU . 1.3 mt -77.16 -41.4 41.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 0.739 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.7 ttm-85 -46.33 -43.24 15.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.584 1.178 . . . . 0.0 110.368 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 114' ' ' GLN . 0.0 OUTLIER -76.14 -63.08 1.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.357 179.899 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.789 ' CG ' HD23 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -42.5 -26.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.084 . . . . 0.0 110.296 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.415 ' N ' ' C ' ' A' ' 111' ' ' ARG . 22.5 t80 -79.2 -43.27 24.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.505 ' HG3' ' N ' ' A' ' 115' ' ' GLN . 0.0 OUTLIER -56.29 -26.93 53.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.244 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.505 ' N ' ' HG3' ' A' ' 114' ' ' GLN . 0.4 OUTLIER -88.11 -43.75 11.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.41 1.069 . . . . 0.0 110.267 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.905 ' HG ' HD23 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -60.43 -35.05 74.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.965 ' CG ' HD13 ' A' ' 55' ' ' LEU . 81.1 t90 -71.67 -55.78 7.06 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.795 HD21 HG22 ' A' ' 41' ' ' ILE . 85.0 mt -54.31 -22.19 11.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 116' ' ' LEU . . . -70.31 -52.0 26.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.663 ' HB3' ' CE1' ' A' ' 71' ' ' HIS . . . -63.9 -33.96 76.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.251 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.612 ' CE1' ' CH2' ' A' ' 117' ' ' TRP . 0.8 OUTLIER -65.97 -31.84 72.98 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.534 1.146 . . . . 0.0 110.954 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -96.53 0.26 49.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.467 ' CB ' ' OE1' ' A' ' 74' ' ' GLN . . . -91.01 0.61 57.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 109.353 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 56.5 mt -75.06 155.39 86.44 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.236 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 55.51 3.96 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.43 1.752 . . . . 0.0 111.061 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 133.62 -44.6 1.18 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.557 1.161 . . . . 0.0 111.008 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.562 ' O ' ' HB2' ' A' ' 128' ' ' ALA . 5.3 p 52.13 100.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.582 0.813 . . . . 0.0 110.011 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.562 ' HB2' ' O ' ' A' ' 127' ' ' SER . . . 171.59 -179.42 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -150.42 167.2 27.81 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -160.43 151.85 16.19 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.813 ' HG2' ' HB2' ' A' ' 134' ' ' ALA . 18.4 Cg_endo -74.98 163.23 35.78 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.491 1.785 . . . . 0.0 110.922 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 20.0 m -73.1 -36.8 66.84 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.452 1.095 . . . . 0.0 110.011 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.82 ' HA ' HD12 ' A' ' 136' ' ' ILE . 15.8 p-90 -70.32 -17.42 63.07 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.813 ' HB2' ' HG2' ' A' ' 131' ' ' PRO . . . -65.09 -11.0 34.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 97.2 p -123.06 21.4 9.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.055 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.82 HD12 ' HA ' ' A' ' 133' ' ' TRP . 28.0 mt -115.0 117.87 57.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.472 ' CB ' ' HB3' ' A' ' 176' ' ' ASN . 0.2 OUTLIER -137.59 162.08 34.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 138' ' ' GLN . . . . . 0.465 ' NE2' ' O ' ' A' ' 139' ' ' GLY . 0.2 OUTLIER -85.46 119.21 25.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.375 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 139' ' ' GLY . . . . . 0.465 ' O ' ' NE2' ' A' ' 138' ' ' GLN . . . -76.02 143.16 29.49 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.48 HD22 ' HA ' ' A' ' 140' ' ' LEU . 1.4 tm? -50.42 -39.67 48.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 0.761 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -111.7 40.41 2.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.427 1.08 . . . . 0.0 110.31 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.407 ' HB2' ' CA ' ' A' ' 139' ' ' GLY . 0.4 OUTLIER -120.89 170.46 7.24 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.288 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 143' ' ' PRO . . . . . 0.828 ' HB2' ' HB3' ' A' ' 146' ' ' ALA . 18.3 Cg_endo -74.95 127.74 10.96 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.476 1.777 . . . . 0.0 110.991 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' TYR . . . . . 0.81 ' O ' HG23 ' A' ' 148' ' ' VAL . 2.4 t80 -76.48 -57.47 3.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 111.026 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -57.85 11.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.632 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.828 ' HB3' ' HB2' ' A' ' 143' ' ' PRO . . . -47.86 -46.64 31.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 147' ' ' PHE . . . . . 0.743 ' CZ ' HD12 ' A' ' 151' ' ' LEU . 3.2 t80 -56.48 -43.14 79.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 111.079 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 144' ' ' TYR . 48.7 t -63.34 -58.17 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -46.79 -43.95 18.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 153' ' ' ILE . 95.5 mtt180 -67.64 -58.59 4.4 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.537 1.148 . . . . 0.0 110.326 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.804 ' O ' HD12 ' A' ' 155' ' ' LEU . 0.4 OUTLIER -40.65 -34.68 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 152' ' ' ASN . . . . . 0.464 ' C ' HD21 ' A' ' 152' ' ' ASN . 0.4 OUTLIER -71.29 -51.71 22.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.301 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.427 ' N ' ' O ' ' A' ' 150' ' ' ARG . 11.5 mt -59.2 -64.49 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.499 1.125 . . . . 0.0 109.327 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -45.69 -29.18 1.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 0.804 HD12 ' O ' ' A' ' 151' ' ' LEU . 3.5 mt -72.53 -59.7 2.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -51.39 -21.43 2.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -74.05 -28.33 61.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.103 . . . . 0.0 109.34 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 158' ' ' GLY . . . . . 0.541 ' O ' HD22 ' A' ' 159' ' ' LEU . . . -132.06 39.98 1.68 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.571 1.169 . . . . 0.0 110.991 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.541 HD22 ' O ' ' A' ' 158' ' ' GLY . 0.7 OUTLIER -131.76 119.26 17.01 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.467 0.745 . . . . 0.0 109.272 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -168.86 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.526 1.803 . . . . 0.0 111.046 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -102.0 -7.98 21.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.296 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -109.15 32.42 6.88 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.408 1.068 . . . . 0.0 111.004 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 163' ' ' THR . . . . . 0.645 HG23 ' HD2' ' A' ' 164' ' ' PRO . 1.7 m -146.08 143.53 19.58 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.51 0.771 . . . . 0.0 110.445 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 164' ' ' PRO . . . . . 0.645 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.2 Cg_endo -75.0 135.28 18.87 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.465 1.771 . . . . 0.0 111.006 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 165' ' ' LYS . . . . . 0.591 ' NZ ' HD22 ' A' ' 169' ' ' LEU . 0.0 OUTLIER -119.78 -40.2 2.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.348 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 166' ' ' ASP . . . . . 0.528 ' CB ' ' HD3' ' A' ' 167' ' ' PRO . 0.2 OUTLIER -39.5 -53.92 4.03 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 167' ' ' PRO . . . . . 0.528 ' HD3' ' CB ' ' A' ' 166' ' ' ASP . 18.4 Cg_endo -75.02 -49.55 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.43 1.753 . . . . 0.0 111.036 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -46.05 -38.36 3.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.267 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 169' ' ' LEU . . . . . 0.591 HD22 ' NZ ' ' A' ' 165' ' ' LYS . 14.0 tp -64.65 -63.84 1.02 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 170' ' ' ARG . . . . . 0.449 ' NH2' ' O ' ' A' ' 192' ' ' ASN . 27.2 mtp180 -49.42 -34.08 15.62 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.69 -28.47 64.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.024 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.731 ' CD1' HD11 ' A' ' 155' ' ' LEU . 18.2 mt -81.64 -50.62 9.11 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.476 1.11 . . . . 0.0 109.351 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 173' ' ' ALA . . . . . 0.628 ' O ' ' HB2' ' A' ' 177' ' ' ALA . . . -63.41 -14.93 55.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 174' ' ' TYR . . . . . 0.422 ' CB ' ' O ' ' A' ' 170' ' ' ARG . 71.6 t80 -100.4 -69.36 0.77 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 65.7 m -51.05 -40.82 59.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.044 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 176' ' ' ASN . . . . . 0.472 ' HB3' ' CB ' ' A' ' 137' ' ' LEU . 0.6 OUTLIER -99.3 55.72 1.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.082 . . . . 0.0 109.306 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 177' ' ' ALA . . . . . 0.7 ' HB1' ' HB3' ' A' ' 181' ' ' CYS . . . -129.43 122.81 30.14 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 178' ' ' ASN . . . . . 0.431 ' OD1' ' N ' ' A' ' 180' ' ' GLU . 4.2 p30 -46.58 171.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 181' ' ' CYS . 0.0 OUTLIER -51.62 -77.33 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.48 1.112 . . . . 0.0 109.243 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 180' ' ' GLU . . . . . 0.431 ' N ' ' OD1' ' A' ' 178' ' ' ASN . 0.1 OUTLIER -36.96 -32.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.078 . . . . 0.0 110.264 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 181' ' ' CYS . . . . . 0.7 ' HB3' ' HB1' ' A' ' 177' ' ' ALA . 0.5 OUTLIER -64.03 -68.03 0.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 108.333 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -53.72 -33.23 54.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.452 1.095 . . . . 0.0 110.303 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 183' ' ' LYS . . . . . 0.532 ' O ' ' HB2' ' A' ' 187' ' ' ALA . 4.1 ttpp -71.68 -19.9 62.01 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.445 1.091 . . . . 0.0 109.326 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.658 HD11 ' HA ' ' A' ' 205' ' ' TRP . 5.2 tt -80.46 -60.29 2.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 185' ' ' LEU . . . . . 0.827 HD21 ' HG3' ' A' ' 198' ' ' MET . 9.1 mt -52.17 -55.41 21.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.16 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 186' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -54.74 -55.04 34.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 187' ' ' ALA . . . . . 0.532 ' HB2' ' O ' ' A' ' 183' ' ' LYS . . . -49.28 -36.62 21.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.426 1.079 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 188' ' ' ARG . . . . . 0.486 ' HG3' HD23 ' A' ' 184' ' ' LEU . 0.2 OUTLIER -73.24 -39.03 65.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.596 1.185 . . . . 0.0 110.33 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 77.72 63.21 2.24 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.485 1.115 . . . . 0.0 111.031 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 190' ' ' HIS . . . . . 0.82 ' NE2' HD23 ' A' ' 185' ' ' LEU . 7.5 p80 -155.46 32.85 0.37 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.754 . . . . 0.0 109.533 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 2.0 p -58.6 -51.52 69.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.35 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 192' ' ' ASN . . . . . 0.449 ' O ' ' NH2' ' A' ' 170' ' ' ARG . 7.7 t-20 -62.36 -34.23 76.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 193' ' ' SER . . . . . 0.449 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.3 OUTLIER -48.51 175.08 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.039 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 194' ' ' PRO . . . . . 0.449 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.2 Cg_endo -74.99 -168.71 0.54 Allowed 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.534 1.808 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 195' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 198' ' ' MET . 4.2 tp -83.83 -36.11 23.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -47.87 -43.87 23.91 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.489 1.118 . . . . 0.0 110.926 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 197' ' ' ASP . . . . . 0.421 ' HB3' ' ND1' ' A' ' 190' ' ' HIS . 0.5 OUTLIER -63.31 -28.04 69.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 0.769 . . . . 0.0 109.301 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 198' ' ' MET . . . . . 0.827 ' HG3' HD21 ' A' ' 185' ' ' LEU . 41.8 ttm -64.39 -49.57 71.07 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.461 1.101 . . . . 0.0 111.056 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 199' ' ' LEU . . . . . 0.489 HD21 HG11 ' A' ' 148' ' ' VAL . 3.2 mm? -63.39 -23.55 67.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.169 . . . . 0.0 109.332 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.16 -14.46 46.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ALA . . . . . 0.46 ' CB ' ' HD2' ' A' ' 188' ' ' ARG . . . -94.78 -34.76 12.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 202' ' ' CYS . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 144' ' ' TYR . 12.5 p -83.73 -25.37 30.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 108.313 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 203' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 202' ' ' CYS . 8.4 pt20 -35.02 -35.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 204' ' ' THR . . . . . 0.522 HG23 ' N ' ' A' ' 205' ' ' TRP . 6.2 t -112.88 -55.09 2.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.351 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 205' ' ' TRP . . . . . 0.658 ' HA ' HD11 ' A' ' 184' ' ' LEU . 6.1 t90 53.93 49.74 18.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 107.995 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 206' ' ' THR . . . . . 0.614 HG23 ' O ' ' A' ' 205' ' ' TRP . 11.6 p -158.53 161.64 28.11 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.346 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 117.38 4.9 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.415 1.744 . . . . 0.0 111.019 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 208' ' ' LYS . . . . . . . . . . . . . 14.1 mttm -147.6 118.71 7.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -92.14 -53.6 4.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 109.331 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.79 162.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 13.7 m 61.13 140.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 0.0 110.401 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.45 148.39 42.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 213' ' ' VAL . . . . . . . . . . . . . 64.0 t -97.74 145.04 10.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 214' ' ' LEU . . . . . 0.606 HD13 ' O ' ' A' ' 214' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.567 1.167 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 34.9 m80 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.605 -0.516 . . . . 0.0 109.605 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -66.43 130.99 45.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.577 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.8 p80 -139.05 117.04 11.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.579 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 7.9 p-80 -161.52 162.39 30.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.645 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -144.45 157.27 44.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 0.0 109.622 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.1 122.07 23.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 109.996 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 80.1 p -153.92 148.93 26.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 110.029 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -113.11 -109.48 2.94 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.535 1.147 . . . . 0.0 111.003 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.8 p-80 -136.65 175.26 9.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 0.759 . . . . 0.0 109.558 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.0 tt -161.28 -49.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 0.0 109.268 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -146.35 156.8 43.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 110.331 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 124.42 -95.67 0.5 Allowed Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.461 1.1 . . . . 0.0 111.036 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? 54.9 102.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 0.727 . . . . 0.0 110.307 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.596 ' N ' ' CD2' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -155.28 46.31 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.623 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.576 ' HE3' ' CZ ' ' A' ' 48' ' ' PHE . 1.7 ttt 179.41 130.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 111.032 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 34.9 tp60 -84.87 131.21 34.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 110.271 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.79 -41.38 15.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.85 -31.87 29.57 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -61.73 -51.65 67.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.314 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.449 HD21 ' HE1' ' A' ' 15' ' ' MET . 11.9 mt -59.21 -33.36 70.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.69 -52.02 54.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.31 -44.86 95.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.892 HG22 HD11 ' A' ' 62' ' ' LEU . 56.1 mt -52.41 -54.85 13.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.877 ' HA ' HD21 ' A' ' 62' ' ' LEU . 6.8 tttm -49.44 -32.98 12.93 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.539 1.149 . . . . 0.0 109.209 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.87 -71.32 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.842 ' OE1' HG23 ' A' ' 40' ' ' THR . 9.2 pt-20 -46.67 -26.12 0.86 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 110.326 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.534 HG13 ' CD1' ' A' ' 37' ' ' PHE . 18.6 t -81.59 -43.14 19.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.9 t -48.42 -32.64 7.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.008 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.21 -35.58 66.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.585 1.178 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 27' ' ' VAL . . . -44.77 166.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.499 ' HB3' ' HB2' ' A' ' 34' ' ' SER . . . -105.13 162.62 19.19 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.203 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.435 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.4 Cg_endo -75.06 108.09 2.64 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.422 1.748 . . . . 0.0 110.96 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 71.07 53.9 10.01 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.443 1.089 . . . . 0.0 110.976 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.499 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 6.3 m -137.97 158.8 70.63 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 0.0 109.973 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 49.14 2.17 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.453 1.765 . . . . 0.0 111.05 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.0 tp60 -121.48 -55.25 1.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.256 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.541 ' CE1' HD11 ' A' ' 41' ' ' ILE . 8.9 t80 -59.46 -50.47 73.8 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.587 1.18 . . . . 0.0 110.893 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.811 ' HE1' HD22 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -52.4 -51.62 58.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 111.017 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -50.18 -48.38 54.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 110.271 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.842 HG23 ' OE1' ' A' ' 26' ' ' GLU . 86.5 m -52.0 -34.01 40.88 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.159 . . . . 0.0 110.363 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.786 HG22 HD21 ' A' ' 118' ' ' LEU . 2.8 mm -67.39 -47.71 80.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.58 1.175 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.75 ' HD2' HD13 ' A' ' 118' ' ' LEU . 40.0 mmm-85 -56.91 -32.79 66.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.17 -58.48 5.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.592 1.183 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.7 -37.14 67.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.648 HG22 ' HD2' ' A' ' 50' ' ' PRO . 1.4 t -71.12 -21.82 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.366 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -97.81 -0.58 44.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.269 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -94.34 -66.42 0.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.355 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.576 ' CZ ' ' HE3' ' A' ' 15' ' ' MET . 7.8 p90 -116.19 -31.64 5.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.976 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.532 ' OD1' ' NE2' ' A' ' 114' ' ' GLN . 2.6 t70 80.45 95.48 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.25 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.648 ' HD2' HG22 ' A' ' 45' ' ' VAL . 18.2 Cg_endo -74.95 144.15 30.07 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.456 1.766 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.866 HG21 ' HA ' ' A' ' 102' ' ' ASN . 1.4 m -93.22 -177.09 4.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.347 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.471 ' H ' HG22 ' A' ' 51' ' ' THR . . . -49.86 -37.37 30.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.405 ' HD3' ' ND2' ' A' ' 102' ' ' ASN . 0.4 OUTLIER -68.4 -71.0 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.279 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.446 ' HB2' ' CB ' ' A' ' 50' ' ' PRO . 0.1 OUTLIER -44.88 -37.33 3.83 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.449 1.093 . . . . 0.0 109.34 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 1.053 HD13 ' CG ' ' A' ' 117' ' ' TRP . 28.0 mt -68.37 -45.33 73.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.248 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 53' ' ' LYS . 1.5 tp-100 -52.11 -51.24 59.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.424 1.078 . . . . 0.0 110.254 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.456 ' O ' ' CB ' ' A' ' 61' ' ' TYR . 32.9 t70 -68.34 -45.73 72.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.621 HD11 HD12 ' A' ' 62' ' ' LEU . 16.8 tp -56.76 -19.36 16.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 33.4 tp -82.04 -50.33 9.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.585 1.178 . . . . 0.0 109.252 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.15 20.12 3.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.331 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.456 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 26.3 t80 -120.19 -43.2 2.54 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.432 1.082 . . . . 0.0 110.944 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.892 HD11 HG22 ' A' ' 23' ' ' ILE . 3.3 mt -98.14 -65.45 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.208 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.481 ' HB3' ' CG1' ' A' ' 67' ' ' VAL . 10.3 m -61.59 -175.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 108.258 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.66 -179.12 3.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.099 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.14 -54.81 12.97 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.529 1.143 . . . . 0.0 110.058 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.6 tp -52.36 -52.74 51.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.416 1.073 . . . . 0.0 109.28 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.481 ' CG1' ' HB3' ' A' ' 63' ' ' CYS . 1.4 t -54.63 -52.51 40.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -44.77 -41.73 7.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.296 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.2 t -68.74 -46.64 68.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.579 1.174 . . . . 0.0 109.995 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 31.2 mt -54.49 -53.89 48.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.488 ' CD2' ' HB3' ' A' ' 120' ' ' ALA . 0.6 OUTLIER -59.79 -45.71 91.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 109.607 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -49.04 -44.53 41.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.094 . . . . 0.0 109.608 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -64.41 -37.4 87.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.277 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.715 ' O ' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -71.62 -21.26 61.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.238 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.715 HD13 HD21 ' A' ' 116' ' ' LEU . 0.3 OUTLIER -83.68 -39.27 20.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.123 . . . . 0.0 109.26 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -60.2 -42.24 94.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.168 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.4 t -73.28 -45.79 53.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.573 1.17 . . . . 0.0 109.956 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.715 HD13 ' O ' ' A' ' 74' ' ' GLN . 5.4 mp -55.28 -56.47 19.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.59 HD12 HD11 ' A' ' 116' ' ' LEU . 1.1 mp -50.14 -46.54 24.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.429 1.08 . . . . 0.0 109.276 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.0 t -50.98 -30.73 15.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.591 1.182 . . . . 0.0 110.007 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -71.34 -38.38 71.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 110.314 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.586 ' HB1' ' CG1' ' A' ' 87' ' ' ILE . . . -66.59 -60.48 2.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.453 ' CD ' ' CE2' ' A' ' 90' ' ' TYR . 0.3 OUTLIER -50.68 -32.96 20.8 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.102 . . . . 0.0 110.318 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.1 m -63.39 -43.94 96.15 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.44 1.087 . . . . 0.0 110.407 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.01 -6.17 51.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.193 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 83.51 -11.69 54.8 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.457 1.098 . . . . 0.0 111.044 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.586 ' CG1' ' HB1' ' A' ' 82' ' ' ALA . 44.1 mt 57.12 163.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.589 0.817 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.609 HG23 ' H ' ' A' ' 89' ' ' GLY . 1.2 t -51.54 -59.87 3.78 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.442 1.089 . . . . 0.0 110.372 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.609 ' H ' HG23 ' A' ' 88' ' ' THR . . . -148.77 56.7 0.48 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.552 1.157 . . . . 0.0 110.989 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.471 ' CD1' ' C ' ' A' ' 90' ' ' TYR . 1.9 t80 -79.84 148.13 31.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 0.757 . . . . 0.0 111.009 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -118.79 129.47 25.38 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -27.48 10.05 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.477 1.778 . . . . 0.0 110.949 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.975 ' O ' HD22 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -60.93 -21.05 63.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 0.0 109.318 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.759 ' N ' HD13 ' A' ' 93' ' ' LEU . . . -95.0 53.68 1.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.239 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.523 ' C ' ' O ' ' A' ' 94' ' ' ALA . . . -26.31 -58.0 0.08 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.476 1.11 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.576 ' HB2' HG23 ' A' ' 99' ' ' VAL . 18.5 Cg_endo -75.0 80.59 2.4 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.525 1.803 . . . . 0.0 111.015 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.466 ' CD2' HG12 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -50.82 -28.99 10.56 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -64.83 -15.0 61.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.248 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.576 HG23 ' HB2' ' A' ' 96' ' ' PRO . 54.7 t -91.88 -43.14 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.587 ' NE2' ' HB3' ' A' ' 94' ' ' ALA . 3.6 pt20 -75.23 -13.36 60.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.49 ' O ' ' CG2' ' A' ' 51' ' ' THR . . . -79.72 -18.09 52.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.866 ' HA ' HG21 ' A' ' 51' ' ' THR . 14.3 m-80 -91.2 -4.85 55.69 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.443 1.089 . . . . 0.0 109.255 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.437 ' ND2' ' HA ' ' A' ' 100' ' ' GLN . 3.6 m-20 -80.4 128.71 71.83 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -24.83 12.39 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.429 1.752 . . . . 0.0 110.942 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -55.78 -35.78 66.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -115.01 73.12 0.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.346 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.485 ' HA ' ' CD ' ' A' ' 110' ' ' ARG . 3.2 pt20 -73.39 -5.28 38.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.343 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -75.18 -38.56 39.39 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.506 1.129 . . . . 0.0 110.977 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.549 HD23 ' CG ' ' A' ' 112' ' ' GLU . 1.2 mt -84.8 -41.61 15.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 0.771 . . . . 0.0 109.354 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.485 ' CD ' ' HA ' ' A' ' 107' ' ' GLN . 1.6 ptm180 -53.77 -37.0 62.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.421 ' N ' ' CG ' ' A' ' 110' ' ' ARG . 0.0 OUTLIER -78.04 -53.87 6.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.549 ' CG ' HD23 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -53.65 -25.48 18.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 110.335 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.443 ' HE2' HD23 ' A' ' 97' ' ' LEU . 2.5 t80 -80.97 -36.36 30.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 0.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.532 ' NE2' ' OD1' ' A' ' 49' ' ' ASP . 0.3 OUTLIER -61.51 -45.68 93.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.267 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.02 -38.1 75.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.717 ' C ' HD23 ' A' ' 116' ' ' LEU . 0.1 OUTLIER -67.68 -29.14 68.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 1.053 ' CG ' HD13 ' A' ' 55' ' ' LEU . 79.7 t90 -65.82 -49.55 67.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 108.029 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.811 HD22 ' HE1' ' A' ' 38' ' ' MET . 83.4 mt -60.66 -28.47 68.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 116' ' ' LEU . . . -59.99 -54.84 41.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.105 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.619 ' CB ' HD23 ' A' ' 75' ' ' LEU . . . -66.48 -34.47 78.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -66.26 -26.64 67.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 110.974 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -103.7 0.58 30.78 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -92.54 0.29 57.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.255 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 90.9 mt -65.07 150.0 96.02 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 109.347 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 55.63 3.96 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.53 1.805 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 127' ' ' SER . . . 172.62 -46.38 0.17 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.445 1.091 . . . . 0.0 110.986 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 126' ' ' GLY . 27.3 t -39.46 -58.77 1.2 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 0.737 . . . . 0.0 110.04 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -105.07 107.16 17.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.252 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 77.44 171.37 0.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.078 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 177.3 166.35 0.5 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 117.21 4.83 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.469 1.773 . . . . 0.0 110.956 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.08 -22.65 60.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.007 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.84 ' HA ' HD12 ' A' ' 136' ' ' ILE . 38.6 p-90 -74.88 -20.01 59.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 108.035 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.32 -12.96 33.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.392 1.058 . . . . 0.0 109.309 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 5.3 t -126.14 31.0 5.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.01 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.84 HD12 ' HA ' ' A' ' 133' ' ' TRP . 23.3 mt -118.49 119.06 60.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.254 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.48 HD23 ' CB ' ' A' ' 176' ' ' ASN . 0.2 OUTLIER -136.73 137.7 40.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 138' ' ' GLN . . . . . 0.573 ' HG3' ' CD2' ' A' ' 144' ' ' TYR . 2.4 tm0? -55.95 141.51 39.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 110.336 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -102.83 123.75 7.94 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.427 1.079 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.515 ' H ' HD23 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -48.81 -44.45 39.2 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 0.74 . . . . 0.0 109.377 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -98.13 38.43 1.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 110.361 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -140.74 171.45 7.64 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 110.329 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' PRO . . . . . 0.661 ' HB2' ' HB3' ' A' ' 146' ' ' ALA . 18.6 Cg_endo -75.0 108.51 2.74 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.477 1.778 . . . . 0.0 110.97 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' TYR . . . . . 0.818 ' O ' HG23 ' A' ' 148' ' ' VAL . 7.8 t80 -69.77 -43.72 71.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.58 -58.68 6.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.58 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.661 ' HB3' ' HB2' ' A' ' 143' ' ' PRO . . . -54.56 -32.24 58.05 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.47 1.106 . . . . 0.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 147' ' ' PHE . . . . . 0.709 ' CE1' HD12 ' A' ' 151' ' ' LEU . 7.4 t80 -70.91 -32.9 69.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.971 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.818 HG23 ' O ' ' A' ' 144' ' ' TYR . 75.4 t -68.0 -47.55 78.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -56.16 -44.74 79.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 110.264 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 153' ' ' ILE . 5.9 ttt180 -65.55 -55.33 18.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 110.299 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.762 ' O ' HD12 ' A' ' 155' ' ' LEU . 0.4 OUTLIER -41.37 -33.1 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.107 . . . . 0.0 109.232 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 152' ' ' ASN . . . . . 0.475 ' OD1' ' CE ' ' A' ' 165' ' ' LYS . 41.9 t-20 -73.98 -49.56 23.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.259 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.444 ' N ' ' O ' ' A' ' 150' ' ' ARG . 5.6 mt -60.02 -64.98 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -46.27 -30.73 2.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.269 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 0.857 HD11 HD12 ' A' ' 172' ' ' LEU . 5.5 mt -68.61 -60.98 2.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -50.29 -22.91 1.98 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.59 -33.69 69.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 158' ' ' GLY . . . . . 0.532 ' O ' HD22 ' A' ' 159' ' ' LEU . . . -126.36 39.99 1.9 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.531 1.144 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.728 HD12 ' HB2' ' A' ' 165' ' ' LYS . 0.6 OUTLIER -129.89 116.42 18.04 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.529 0.782 . . . . 0.0 109.305 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 165.93 30.29 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.55 1.816 . . . . 0.0 111.006 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.14 4.27 20.65 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -114.13 20.72 16.36 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.51 1.131 . . . . 0.0 111.025 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 163' ' ' THR . . . . . 0.551 HG23 ' HD2' ' A' ' 164' ' ' PRO . 1.2 m -145.91 142.05 17.38 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.498 0.764 . . . . 0.0 110.355 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 164' ' ' PRO . . . . . 0.551 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.2 Cg_endo -74.98 137.49 21.84 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.549 1.815 . . . . 0.0 111.023 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 165' ' ' LYS . . . . . 0.728 ' HB2' HD12 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -117.07 -38.16 3.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 166' ' ' ASP . . . . . 0.509 ' N ' ' CD ' ' A' ' 167' ' ' PRO . 0.2 OUTLIER -40.05 -52.27 5.48 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.329 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 167' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 166' ' ' ASP . 18.1 Cg_endo -75.04 -51.06 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.235 0 O-C-N 124.518 1.799 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -46.92 -35.52 2.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.258 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 169' ' ' LEU . . . . . 0.844 HD21 HD22 ' A' ' 195' ' ' LEU . 50.6 tp -64.91 -67.35 0.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.09 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 170' ' ' ARG . . . . . 0.493 ' O ' ' CB ' ' A' ' 174' ' ' TYR . 1.0 OUTLIER -45.99 -35.19 4.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.264 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.17 -37.55 83.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.049 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.857 HD12 HD11 ' A' ' 155' ' ' LEU . 22.1 mt -70.2 -46.97 63.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.343 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 173' ' ' ALA . . . . . 0.485 ' HB3' ' SD ' ' A' ' 198' ' ' MET . . . -75.88 -1.87 27.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.368 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 174' ' ' TYR . . . . . 0.493 ' CB ' ' O ' ' A' ' 170' ' ' ARG . 0.5 OUTLIER -99.72 -72.1 0.68 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 175' ' ' SER . . . . . 0.431 ' N ' ' CG ' ' A' ' 174' ' ' TYR . 0.2 OUTLIER -63.5 -56.56 15.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 0.0 110.011 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 176' ' ' ASN . . . . . 0.48 ' CB ' HD23 ' A' ' 137' ' ' LEU . 3.2 m-20 -79.45 58.34 2.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.559 1.162 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 177' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' A' ' 178' ' ' ASN . . . -139.62 88.55 2.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.474 1.109 . . . . 0.0 109.355 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 178' ' ' ASN . . . . . 0.615 HD21 ' N ' ' A' ' 178' ' ' ASN . 0.2 OUTLIER 40.38 -159.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.281 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.33 -7.37 10.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.534 1.146 . . . . 0.0 109.258 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 180' ' ' GLU . . . . . 0.427 ' HG2' ' N ' ' A' ' 181' ' ' CYS . 18.7 pm0 -113.1 -26.09 8.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.329 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 181' ' ' CYS . . . . . 0.539 ' SG ' ' CE2' ' A' ' 205' ' ' TRP . 1.1 m -65.65 -58.48 5.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 108.243 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 182' ' ' GLN . . . . . 0.466 ' HG3' ' CD1' ' A' ' 174' ' ' TYR . 6.9 tt0 -46.08 -37.2 6.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.229 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -37.37 83.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.662 HD23 ' O ' ' A' ' 184' ' ' LEU . 3.4 tt -59.51 -50.28 74.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 185' ' ' LEU . . . . . 0.455 HD23 ' NE2' ' A' ' 190' ' ' HIS . 5.3 mt -50.92 -53.41 32.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 186' ' ' GLN . . . . . 0.552 ' NE2' HG21 ' A' ' 191' ' ' THR . 23.1 mm-40 -58.78 -54.99 40.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.415 1.072 . . . . 0.0 110.294 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -45.79 -43.51 13.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 188' ' ' ARG . . . . . 0.406 ' HG3' ' CD2' ' A' ' 184' ' ' LEU . 0.1 OUTLIER -61.21 -34.45 75.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.344 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 189' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 186' ' ' GLN . . . 79.16 46.28 8.33 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.49 1.118 . . . . 0.0 110.969 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 190' ' ' HIS . . . . . 0.602 ' CG ' ' O ' ' A' ' 190' ' ' HIS . 1.8 p80 -149.7 45.8 0.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.771 . . . . 0.0 109.53 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 191' ' ' THR . . . . . 0.552 HG21 ' NE2' ' A' ' 186' ' ' GLN . 1.0 OUTLIER -65.8 -48.04 73.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.409 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -84.08 57.73 4.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 193' ' ' SER . . . . . 0.534 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER -129.21 179.65 1.25 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.005 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 194' ' ' PRO . . . . . 0.534 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.6 Cg_endo -74.9 -167.23 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.469 1.773 . . . . 0.0 111.001 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 195' ' ' LEU . . . . . 0.844 HD22 HD21 ' A' ' 169' ' ' LEU . 13.1 tp -86.36 -49.95 7.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.363 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -43.3 -40.99 4.86 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.528 1.143 . . . . 0.0 111.047 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 197' ' ' ASP . . . . . 0.459 ' HB3' ' CE1' ' A' ' 190' ' ' HIS . 2.0 t0 -67.48 -39.49 85.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.578 0.81 . . . . 0.0 109.223 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 198' ' ' MET . . . . . 0.485 ' SD ' ' HB3' ' A' ' 173' ' ' ALA . 52.5 ttm -60.74 -28.42 68.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.929 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 199' ' ' LEU . . . . . 0.639 HD21 HG11 ' A' ' 148' ' ' VAL . 2.0 mm? -80.36 -24.97 39.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.355 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 200' ' ' ARG . . . . . 0.4 ' O ' ' HG2' ' A' ' 203' ' ' GLN . 0.0 OUTLIER -84.9 -8.89 58.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.32 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -99.66 -30.47 12.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.394 1.059 . . . . 0.0 109.325 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 202' ' ' CYS . . . . . . . . . . . . . 14.0 p -87.77 -16.54 33.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.591 1.182 . . . . 0.0 108.308 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 203' ' ' GLN . . . . . 0.405 ' HB3' ' O ' ' A' ' 199' ' ' LEU . 8.4 pt20 -57.03 -16.75 7.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.251 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 204' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 206' ' ' THR . 0.1 OUTLIER -109.1 -4.87 16.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.347 -179.879 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 205' ' ' TRP . . . . . 0.539 ' CE2' ' SG ' ' A' ' 181' ' ' CYS . 33.7 t90 -70.55 60.97 0.23 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 108.034 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 206' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 204' ' ' THR . 59.6 p -129.8 95.39 29.16 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 110.441 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 88.86 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.474 1.776 . . . . 0.0 111.042 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 208' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.73 178.88 8.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.46 -56.33 4.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 60.99 98.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 3.7 m -88.65 85.16 6.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.396 1.06 . . . . 0.0 110.462 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.01 162.97 5.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.352 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 213' ' ' VAL . . . . . . . . . . . . . 8.0 p -139.1 140.01 39.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.163 . . . . 0.0 109.359 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 214' ' ' LEU . . . . . 0.661 HD23 ' H ' ' A' ' 214' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.577 1.173 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 5.3 p80 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -94.84 -62.34 1.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.618 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -159.23 147.44 17.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.095 . . . . 0.0 109.659 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -153.24 101.79 2.57 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.422 1.076 . . . . 0.0 109.645 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -163.04 103.58 1.0 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 0.0 109.602 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.5 m -105.25 164.3 11.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.01 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 68.1 m -117.91 122.27 42.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.976 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -170.62 118.92 0.78 Allowed Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.545 1.153 . . . . 0.0 110.998 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 59.7 m80 -110.17 131.73 54.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 0.773 . . . . 0.0 109.571 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.9 tp -99.52 143.11 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -80.61 -63.02 1.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 110.32 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -116.46 -167.41 14.72 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.441 1.088 . . . . 0.0 110.983 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.39 123.94 5.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 0.785 . . . . 0.0 110.282 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.402 ' O ' ' O ' ' A' ' 15' ' ' MET . 1.1 m170 -134.42 68.53 1.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.607 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.494 ' HE1' ' CD2' ' A' ' 20' ' ' LEU . 0.7 OUTLIER 49.13 100.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.8 pm0 -95.47 -176.0 3.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.092 . . . . 0.0 110.36 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -43.5 73.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.73 -50.13 73.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -52.57 -52.36 55.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.521 ' HB3' ' CE2' ' A' ' 61' ' ' TYR . 21.4 mt -61.09 -29.33 69.69 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -68.62 -54.9 13.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.34 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.39 -44.03 65.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.411 ' C ' ' N ' ' A' ' 25' ' ' GLN . 15.3 mt -57.62 -54.49 30.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.0 ttpp -46.13 -26.25 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.411 ' N ' ' C ' ' A' ' 23' ' ' ILE . 0.3 OUTLIER -75.24 -68.41 0.56 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.613 ' CD ' HG23 ' A' ' 40' ' ' THR . 3.9 pt-20 -51.34 -25.57 6.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.665 HG23 HG21 ' A' ' 40' ' ' THR . 43.7 t -78.77 -48.0 22.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.2 t -51.0 -24.07 3.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.049 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.49 -40.89 56.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.28 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.663 ' HB1' ' HB3' ' A' ' 36' ' ' GLN . . . -52.46 166.96 0.15 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 109.269 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.449 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -104.35 162.82 18.7 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.449 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.6 Cg_endo -75.01 118.9 5.43 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.446 1.761 . . . . 0.0 111.035 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 72.1 30.85 64.75 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.501 1.126 . . . . 0.0 111.033 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.425 ' OG ' ' HB3' ' A' ' 31' ' ' ALA . 63.8 m -117.96 152.81 50.7 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.555 0.797 . . . . 0.0 110.002 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 50.85 2.63 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.52 1.8 . . . . 0.0 110.974 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.663 ' HB3' ' HB1' ' A' ' 30' ' ' ALA . 31.0 tp60 -121.25 -49.91 2.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.326 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.895 ' CE1' HD11 ' A' ' 41' ' ' ILE . 5.7 t80 -62.28 -64.34 0.96 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 110.963 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 9.5 tpt -44.23 -35.5 2.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -63.7 -38.41 91.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 110.258 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.665 HG21 HG23 ' A' ' 27' ' ' VAL . 1.2 m -69.8 -16.68 63.32 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 110.364 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.895 HD11 ' CE1' ' A' ' 37' ' ' PHE . 10.1 mm -80.72 -40.66 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.347 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.51 -37.67 68.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.163 . . . . 0.0 110.337 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.05 -43.36 95.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.351 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.52 -36.76 83.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.468 HG22 ' HD2' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -70.66 -25.28 26.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.78 -0.94 47.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.32 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -92.47 -71.75 0.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -108.68 -26.47 10.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 0.0 111.059 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 72.2 94.98 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.468 ' HD2' HG22 ' A' ' 45' ' ' VAL . 18.4 Cg_endo -75.01 150.74 38.53 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.494 1.786 . . . . 0.0 110.996 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.0 p -88.81 -177.04 5.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.436 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.07 -51.3 58.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.358 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.412 ' HD3' ' ND2' ' A' ' 102' ' ' ASN . 0.0 OUTLIER -58.16 -59.98 4.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.39 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -44.33 -39.73 4.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 1.076 HD13 ' CG ' ' A' ' 117' ' ' TRP . 25.6 mt -67.69 -44.44 77.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 53' ' ' LYS . 16.9 tp60 -53.65 -53.23 54.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -66.28 -43.62 85.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.599 1.187 . . . . 0.0 109.352 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 21.1 tp -55.59 -28.12 53.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.624 HD23 ' HE1' ' A' ' 72' ' ' HIS . 26.3 tp -73.47 -38.48 65.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.66 4.59 46.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.27 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.521 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 1.3 t80 -96.7 -49.22 5.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 110.958 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.0 mt -112.69 -57.46 2.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.253 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.583 ' CB ' HD12 ' A' ' 59' ' ' LEU . 1.3 m -52.56 123.83 12.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 108.223 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.0 p -65.04 165.36 11.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.577 1.173 . . . . 0.0 110.025 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.468 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 1.7 m -50.32 -70.0 0.1 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.157 . . . . 0.0 109.958 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.2 tp -44.63 -57.47 3.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.451 HG13 HD13 ' A' ' 124' ' ' LEU . 1.4 t -49.16 -48.73 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.233 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 65' ' ' SER . . . -51.65 -54.25 30.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.5 p -53.7 -44.83 70.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.059 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.94 -44.65 87.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.751 ' NE2' ' HB3' ' A' ' 120' ' ' ALA . 53.3 t-80 -65.27 -37.89 88.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.532 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.624 ' HE1' HD23 ' A' ' 59' ' ' LEU . 27.1 m80 -54.99 -42.49 72.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.597 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -71.91 -52.62 16.35 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.434 1.084 . . . . 0.0 110.369 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.405 ' O ' HD13 ' A' ' 78' ' ' LEU . 2.2 mp0 -52.77 -23.63 7.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.556 HD23 ' CB ' ' A' ' 120' ' ' ALA . 0.2 OUTLIER -83.47 -58.95 2.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.256 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -42.34 -39.08 2.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 109.249 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.49 -48.31 49.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.018 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.86 ' HB3' HD11 ' A' ' 116' ' ' LEU . 0.8 OUTLIER -53.54 -53.32 53.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.568 1.167 . . . . 0.0 109.345 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.732 HG23 HD22 ' A' ' 97' ' ' LEU . 6.9 mm -49.41 -50.53 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.466 ' HA ' ' CG ' ' A' ' 83' ' ' GLU . 1.6 p -48.67 -35.02 12.96 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.549 1.156 . . . . 0.0 110.04 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -65.62 -36.45 83.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 110.224 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.684 ' HB1' HG12 ' A' ' 87' ' ' ILE . . . -72.01 -65.4 0.77 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.553 1.158 . . . . 0.0 109.346 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.466 ' CG ' ' HA ' ' A' ' 80' ' ' SER . 1.5 pt-20 -49.78 -23.11 1.67 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.402 ' CB ' ' O ' ' A' ' 80' ' ' SER . 1.2 m -73.65 -42.98 60.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 110.374 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.38 -1.57 37.68 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.581 1.176 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 83.36 -9.94 60.13 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.443 1.089 . . . . 0.0 110.993 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.847 HG21 HD11 ' A' ' 109' ' ' LEU . 67.7 mt 59.64 154.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 0.781 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.511 HG23 ' N ' ' A' ' 89' ' ' GLY . 3.2 t -52.85 -55.86 20.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.377 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.511 ' N ' HG23 ' A' ' 88' ' ' THR . . . -151.73 59.46 0.42 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.58 1.175 . . . . 0.0 110.938 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.544 ' CG ' ' N ' ' A' ' 91' ' ' ASN . 16.9 t80 -78.95 169.07 18.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 0.755 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.544 ' N ' ' CG ' ' A' ' 90' ' ' TYR . 2.1 t-20 -130.18 129.23 22.88 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 -23.83 13.4 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.479 1.778 . . . . 0.0 111.01 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.928 HD13 ' N ' ' A' ' 94' ' ' ALA . 0.0 OUTLIER -73.81 -15.6 61.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.928 ' N ' HD13 ' A' ' 93' ' ' LEU . . . -99.76 53.77 0.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 94' ' ' ALA . . . -34.57 -54.32 0.79 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.544 ' HB2' HG23 ' A' ' 99' ' ' VAL . 18.3 Cg_endo -75.0 85.09 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.567 1.825 . . . . 0.0 111.044 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.732 HD22 HG23 ' A' ' 79' ' ' ILE . 7.1 tp -53.89 -20.68 6.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 9.8 ptt180 -74.32 -8.37 56.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.276 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.544 HG23 ' HB2' ' A' ' 96' ' ' PRO . 53.5 t -99.62 -59.63 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.56 ' CD ' HD12 ' A' ' 97' ' ' LEU . 4.8 pt20 -56.83 -17.95 11.15 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.551 1.157 . . . . 0.0 110.274 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.33 -38.09 56.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.412 ' ND2' ' HD3' ' A' ' 53' ' ' LYS . 29.2 p30 -101.26 33.19 2.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -107.08 140.28 21.26 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.219 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 48.79 2.07 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.523 1.801 . . . . 0.0 111.033 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -144.69 -47.14 0.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.285 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -89.36 113.92 25.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.312 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -106.58 -34.49 7.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -65.96 -58.67 8.58 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.454 1.096 . . . . 0.0 110.985 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.847 HD11 HG21 ' A' ' 87' ' ' ILE . 0.4 OUTLIER -60.78 -51.69 68.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 0.767 . . . . 0.0 109.317 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -43.04 -35.43 1.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 110.377 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.7 -53.91 7.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.535 1.147 . . . . 0.0 110.279 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -17.22 9.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -84.91 -39.19 18.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -63.44 -48.95 75.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.57 1.169 . . . . 0.0 110.35 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -68.32 -35.78 78.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.436 1.085 . . . . 0.0 110.265 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.86 HD11 ' HB3' ' A' ' 78' ' ' LEU . 8.2 tt -66.72 -36.71 83.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 1.076 ' CG ' HD13 ' A' ' 55' ' ' LEU . 86.5 t90 -62.61 -43.34 99.05 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.766 HD21 HG22 ' A' ' 41' ' ' ILE . 65.7 mt -65.63 -31.8 73.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.484 ' HB3' ' O ' ' A' ' 116' ' ' LEU . . . -57.65 -60.6 3.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.751 ' HB3' ' NE2' ' A' ' 71' ' ' HIS . . . -58.23 -37.24 74.49 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.789 ' CE1' ' CZ2' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -60.38 -31.91 70.8 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 110.918 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -97.18 0.75 48.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -92.98 -0.15 57.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.451 HD13 HG13 ' A' ' 67' ' ' VAL . 60.1 mt -74.65 154.32 87.41 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -6.32 17.93 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.562 1.822 . . . . 0.0 110.978 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -135.61 47.68 0.97 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.534 1.146 . . . . 0.0 111.049 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.41 48.61 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 0.795 . . . . 0.0 109.954 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -159.48 -68.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.41 1.069 . . . . 0.0 109.34 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -143.97 -174.11 4.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.554 1.159 . . . . 0.0 109.241 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -110.29 160.19 29.27 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.661 ' HG2' ' HB2' ' A' ' 134' ' ' ALA . 18.5 Cg_endo -74.94 162.19 37.66 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.428 1.752 . . . . 0.0 111.057 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.51 -31.96 63.98 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.616 1.197 . . . . 0.0 109.935 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.782 ' HA ' HD12 ' A' ' 136' ' ' ILE . 20.8 p-90 -73.67 -15.41 61.24 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.661 ' HB2' ' HG2' ' A' ' 131' ' ' PRO . . . -65.34 -11.08 38.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 3.4 t -133.4 33.27 3.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.782 HD12 ' HA ' ' A' ' 133' ' ' TRP . 65.1 mt -115.59 117.22 54.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.81 162.61 35.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.079 . . . . 0.0 109.302 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' GLN . . . . . 0.568 ' OE1' ' CD1' ' A' ' 144' ' ' TYR . 4.9 tt0 -87.97 103.06 15.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 110.268 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -59.18 159.43 19.2 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.585 1.178 . . . . 0.0 110.974 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.766 HD13 ' O ' ' A' ' 140' ' ' LEU . 3.3 tm? -67.1 -25.03 66.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 0.748 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -116.65 40.07 3.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 110.236 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -138.97 159.64 66.08 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.442 1.089 . . . . 0.0 110.272 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 150.82 38.59 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.483 1.78 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' TYR . . . . . 1.045 ' O ' HG23 ' A' ' 148' ' ' VAL . 6.5 t80 -105.04 -40.04 6.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 111.04 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' HIS . . . . . 0.487 ' HA ' ' CD1' ' A' ' 199' ' ' LEU . 0.0 OUTLIER -60.63 -53.78 53.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.575 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.0 -26.91 68.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.358 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' PHE . . . . . 0.703 ' CE2' HD12 ' A' ' 151' ' ' LEU . 60.3 t80 -73.5 -42.8 61.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.137 . . . . 0.0 111.0 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 1.045 HG23 ' O ' ' A' ' 144' ' ' TYR . 46.7 t -58.03 -46.57 87.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 109.258 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 149' ' ' GLU . . . . . 0.498 ' O ' HD12 ' A' ' 153' ' ' ILE . 5.6 tt0 -56.78 -56.13 25.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.264 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 153' ' ' ILE . 4.6 mmt180 -56.59 -47.86 78.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.703 HD12 ' CE2' ' A' ' 147' ' ' PHE . 0.7 OUTLIER -44.76 -41.63 7.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -66.48 -40.9 89.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.498 HD12 ' O ' ' A' ' 149' ' ' GLU . 1.2 mp -65.09 -69.22 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 154' ' ' ALA . . . . . 0.432 ' N ' HG22 ' A' ' 153' ' ' ILE . . . -41.87 -29.06 0.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 0.819 HD11 HD12 ' A' ' 172' ' ' LEU . 6.4 mt -76.67 -50.47 13.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 153' ' ' ILE . 12.9 t70 -52.78 -20.46 3.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -92.1 -25.47 18.73 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.57 1.169 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 158' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 155' ' ' LEU . . . -136.73 53.88 0.73 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.513 1.133 . . . . 0.0 111.039 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.652 ' HG ' HD22 ' A' ' 155' ' ' LEU . 0.2 OUTLIER -166.07 103.63 0.71 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.75 . . . . 0.0 109.281 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 157.19 43.08 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.419 1.747 . . . . 0.0 111.022 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 163' ' ' THR . 6.4 mt-10 -61.49 -51.07 70.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.275 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -40.06 -28.43 0.16 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.469 1.106 . . . . 0.0 111.015 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 163' ' ' THR . . . . . 0.716 HG23 ' HD2' ' A' ' 164' ' ' PRO . 1.9 m -100.23 145.67 30.64 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.444 0.732 . . . . 0.0 110.417 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 164' ' ' PRO . . . . . 0.716 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.5 Cg_endo -75.03 128.48 11.5 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.465 1.771 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 165' ' ' LYS . . . . . 0.407 ' HB2' HD12 ' A' ' 159' ' ' LEU . 1.1 tmpt? -110.13 -24.54 10.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 166' ' ' ASP . . . . . 0.493 ' CB ' ' HD3' ' A' ' 167' ' ' PRO . 0.4 OUTLIER -52.6 -52.59 62.45 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 167' ' ' PRO . . . . . 0.493 ' HD3' ' CB ' ' A' ' 166' ' ' ASP . 18.1 Cg_endo -75.01 -37.19 2.13 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.553 1.817 . . . . 0.0 110.966 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 168' ' ' ILE . . . . . 0.435 ' CD1' HD21 ' A' ' 159' ' ' LEU . 0.0 OUTLIER -61.51 -34.7 62.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.571 1.17 . . . . 0.0 109.319 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 169' ' ' LEU . . . . . 0.414 HD11 ' HB3' ' A' ' 151' ' ' LEU . 12.5 tp -71.24 -58.99 3.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 7.5 mtm105 -47.39 -25.41 1.02 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 110.28 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.17 -57.68 3.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 109.922 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.819 HD12 HD11 ' A' ' 155' ' ' LEU . 27.6 mt -51.97 -21.04 2.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 173' ' ' ALA . . . . . 0.969 ' O ' ' HB2' ' A' ' 177' ' ' ALA . . . -91.41 -68.05 0.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.102 . . . . 0.0 109.271 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 174' ' ' TYR . . . . . 0.558 ' CD2' HD13 ' A' ' 185' ' ' LEU . 3.0 t80 -73.81 -65.68 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 110.949 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 8.1 t -43.49 -27.99 0.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.944 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 176' ' ' ASN . . . . . 0.401 ' N ' ' C ' ' A' ' 174' ' ' TYR . 54.9 m-20 -126.27 56.39 1.45 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 177' ' ' ALA . . . . . 0.969 ' HB2' ' O ' ' A' ' 173' ' ' ALA . . . -121.53 136.94 54.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 178' ' ' ASN . . . . . 0.447 ' OD1' ' N ' ' A' ' 178' ' ' ASN . 2.8 p-10 -52.58 -175.67 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.33 -47.63 22.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 180' ' ' GLU . . . . . 0.473 ' HB2' ' CD2' ' A' ' 140' ' ' LEU . 1.1 tp10 -56.58 -27.31 57.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.595 1.185 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 181' ' ' CYS . . . . . 0.545 ' SG ' ' CE2' ' A' ' 144' ' ' TYR . 54.0 t -84.51 -68.98 0.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 108.259 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 182' ' ' GLN . . . . . 0.408 ' HG3' ' N ' ' A' ' 183' ' ' LYS . 3.1 pp0? -44.13 -33.53 1.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.362 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 183' ' ' LYS . . . . . 0.408 ' N ' ' HG3' ' A' ' 182' ' ' GLN . 11.5 ttpp -73.43 -42.32 62.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.591 1.182 . . . . 0.0 109.316 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.672 HD23 ' O ' ' A' ' 184' ' ' LEU . 2.1 tt -57.79 -50.46 73.18 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 185' ' ' LEU . . . . . 0.961 HD11 ' SD ' ' A' ' 198' ' ' MET . 6.7 mt -52.37 -55.6 20.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 186' ' ' GLN . . . . . 0.422 ' NE2' ' OH ' ' A' ' 174' ' ' TYR . 20.5 mm-40 -55.59 -47.3 76.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.329 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -58.08 -21.64 46.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 188' ' ' ARG . . . . . 0.472 ' HG3' ' CD2' ' A' ' 184' ' ' LEU . 0.0 OUTLIER -91.9 -22.04 20.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.536 1.147 . . . . 0.0 110.296 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 65.93 55.51 19.06 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 190' ' ' HIS . . . . . 0.79 ' NE2' HD23 ' A' ' 185' ' ' LEU . 1.5 p80 -155.02 36.92 0.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 0.741 . . . . 0.0 109.619 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 191' ' ' THR . . . . . 0.41 ' HB ' ' CE2' ' A' ' 174' ' ' TYR . 43.4 p -60.84 -60.22 4.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.402 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -77.16 59.99 1.83 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 193' ' ' SER . . . . . 0.539 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER -134.64 -179.47 1.08 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.974 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 194' ' ' PRO . . . . . 0.539 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.4 Cg_endo -74.96 -168.6 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.495 1.787 . . . . 0.0 110.962 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 195' ' ' LEU . . . . . 0.808 HD21 ' CG1' ' A' ' 148' ' ' VAL . 4.7 tp -86.05 -36.36 19.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -45.54 -40.43 8.52 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.544 1.153 . . . . 0.0 110.976 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 197' ' ' ASP . . . . . 0.403 ' HB3' ' ND1' ' A' ' 190' ' ' HIS . 13.6 m-20 -77.3 -29.17 53.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 0.741 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 198' ' ' MET . . . . . 0.961 ' SD ' HD11 ' A' ' 185' ' ' LEU . 32.7 tpp -60.28 -50.17 74.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 111.011 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 199' ' ' LEU . . . . . 0.512 HD21 HG11 ' A' ' 148' ' ' VAL . 2.7 mm? -73.3 -22.6 60.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.259 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -79.73 -17.52 53.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.261 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -93.01 -37.33 12.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.652 1.22 . . . . 0.0 109.308 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 202' ' ' CYS . . . . . 0.41 ' O ' ' C ' ' A' ' 203' ' ' GLN . 43.4 t -81.08 -21.39 40.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.149 . . . . 0.0 108.33 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 203' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 202' ' ' CYS . 12.8 pt20 -38.16 -36.54 0.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 110.288 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 204' ' ' THR . . . . . 0.555 ' O ' HG23 ' A' ' 206' ' ' THR . 6.6 t -113.28 -50.81 2.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.346 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 205' ' ' TRP . . . . . 0.66 ' HA ' HD11 ' A' ' 184' ' ' LEU . 4.7 t90 43.48 60.17 2.73 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.119 . . . . 0.0 108.003 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 206' ' ' THR . . . . . 0.555 HG23 ' O ' ' A' ' 204' ' ' THR . 1.9 p -122.68 151.11 59.81 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 0.0 110.344 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 169.42 22.66 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.439 1.757 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 208' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.43 154.49 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . 4.8 p30 178.05 156.33 0.39 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 210' ' ' LYS . . . . . 0.403 ' HG2' ' N ' ' A' ' 211' ' ' THR . 9.9 tttt -147.3 153.44 39.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 211' ' ' THR . . . . . 0.403 ' N ' ' HG2' ' A' ' 210' ' ' LYS . 41.7 p -149.81 162.45 40.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 110.401 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.67 142.77 1.23 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.586 1.179 . . . . 0.0 109.272 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 213' ' ' VAL . . . . . . . . . . . . . 64.6 t -77.92 -64.62 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 214' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.112 . . . . 0.0 109.311 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 52.3 m80 -113.57 176.25 5.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.65 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -155.77 173.16 17.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.167 . . . . 0.0 109.549 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 8.2 p-80 -142.06 174.79 10.28 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.424 1.077 . . . . 0.0 109.607 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 10.4 p80 -99.34 174.82 6.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.607 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.5 m -161.78 170.73 19.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.956 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.2 p -99.94 170.78 8.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.0 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 170.96 179.51 42.2 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.485 1.116 . . . . 0.0 111.047 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.93 148.89 38.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 0.781 . . . . 0.0 109.581 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 pp -144.55 135.99 21.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.422 1.076 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -75.56 165.38 25.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.54 1.15 . . . . 0.0 110.255 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 41.27 -160.69 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.449 1.093 . . . . 0.0 110.962 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 ptt180 -178.13 60.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 110.292 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.45 ' NE2' ' O ' ' A' ' 49' ' ' ASP . 1.0 OUTLIER -120.38 46.4 1.99 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 1.168 . . . . 0.0 109.566 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.569 ' HG3' ' CZ ' ' A' ' 48' ' ' PHE . 2.8 ttt -178.99 85.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 19' ' ' ASP . 0.0 OUTLIER -80.02 153.92 28.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.52 -25.6 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.908 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.44 -41.39 96.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 109.347 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 16' ' ' GLN . 0.6 OUTLIER -59.05 -58.77 7.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.092 . . . . 0.0 109.287 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.772 ' HA ' HD12 ' A' ' 23' ' ' ILE . 4.6 mt -54.72 -27.03 37.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -71.55 -53.4 13.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.277 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.08 -30.59 68.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.098 . . . . 0.0 109.343 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.772 HD12 ' HA ' ' A' ' 20' ' ' LEU . 55.0 mt -66.39 -51.27 60.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.628 ' HA ' HD21 ' A' ' 62' ' ' LEU . 4.1 ttpp -51.59 -28.34 13.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.596 1.185 . . . . 0.0 109.374 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -72.17 -69.82 0.37 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.553 1.158 . . . . 0.0 110.297 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.767 ' CD ' HG23 ' A' ' 40' ' ' THR . 2.6 pt-20 -51.96 -23.74 5.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.267 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.869 HG23 HG21 ' A' ' 40' ' ' THR . 5.3 t -79.06 -47.6 22.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.353 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.2 t -48.18 -35.15 11.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 109.961 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -67.9 -32.34 72.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.273 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 27' ' ' VAL . . . -47.64 168.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.687 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -109.45 172.36 3.7 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.687 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.4 Cg_endo -75.03 115.82 4.4 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.508 1.794 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 57.8 43.72 94.53 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.552 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 2.9 m -118.81 157.28 50.56 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.581 0.812 . . . . 0.0 109.962 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 48.48 2.01 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.401 1.738 . . . . 0.0 111.025 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -121.64 -58.8 1.73 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.642 ' HD2' HG13 ' A' ' 27' ' ' VAL . 3.0 t80 -54.91 -52.95 61.31 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.549 1.155 . . . . 0.0 110.985 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.563 ' HE1' ' HB3' ' A' ' 118' ' ' LEU . 0.0 OUTLIER -57.83 -41.95 83.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 42.2 tp60 -56.46 -36.16 68.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.869 HG21 HG23 ' A' ' 27' ' ' VAL . 1.3 m -68.32 -31.18 70.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.412 1.07 . . . . 0.0 110.417 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.693 HG22 HD21 ' A' ' 118' ' ' LEU . 16.8 mm -63.98 -47.67 89.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.2 tpp180 -66.04 -28.68 69.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.369 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.3 tp -67.29 -34.39 77.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.248 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.27 -42.96 22.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.113 . . . . 0.0 109.286 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.834 HG11 HD11 ' A' ' 118' ' ' LEU . 0.5 OUTLIER -68.53 -18.52 23.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -99.55 -24.22 14.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 110.26 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -67.42 -68.49 0.38 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 110.259 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.569 ' CZ ' ' HG3' ' A' ' 15' ' ' MET . 12.3 p90 -115.31 -28.18 6.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.45 ' O ' ' NE2' ' A' ' 14' ' ' HIS . 6.9 t70 75.4 94.79 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.431 ' CD ' ' HA ' ' A' ' 45' ' ' VAL . 18.1 Cg_endo -75.0 160.5 40.08 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.498 1.789 . . . . 0.0 110.955 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.6 p -90.41 -179.36 5.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 110.37 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.77 -51.99 66.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -51.74 -52.13 50.92 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.558 1.161 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -55.0 -49.63 71.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.253 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.939 HD13 ' CG ' ' A' ' 117' ' ' TRP . 20.0 mt -54.33 -47.76 72.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -48.38 -48.36 36.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.321 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.413 ' C ' ' N ' ' A' ' 59' ' ' LEU . 2.1 m-20 -69.79 -53.47 18.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.513 HD11 HD12 ' A' ' 62' ' ' LEU . 18.4 tp -48.21 -24.31 1.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.412 1.07 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.497 HD13 ' HE1' ' A' ' 121' ' ' PHE . 50.6 tp -76.9 -52.22 9.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.23 25.01 2.32 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.519 1.137 . . . . 0.0 110.237 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.461 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 36.0 t80 -120.69 -49.78 2.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.173 . . . . 0.0 111.007 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.628 HD21 ' HA ' ' A' ' 24' ' ' LYS . 3.5 mt -88.54 -53.27 4.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.536 ' SG ' HG11 ' A' ' 67' ' ' VAL . 60.4 m -82.12 -173.92 4.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 108.227 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.8 m -104.89 175.9 5.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.998 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.0 m -59.34 -44.28 92.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.047 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.7 tp -52.78 -60.33 3.4 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.45 1.094 . . . . 0.0 109.413 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.536 HG11 ' SG ' ' A' ' 63' ' ' CYS . 2.4 t -49.58 -49.02 19.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.147 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.405 ' HA ' HD21 ' A' ' 59' ' ' LEU . . . -51.19 -47.11 62.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.8 p -60.08 -54.03 50.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.985 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.444 ' O ' ' NE2' ' A' ' 74' ' ' GLN . 63.5 mt -50.84 -51.91 46.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.473 ' CE1' HD23 ' A' ' 75' ' ' LEU . 2.5 t60 -57.44 -44.23 84.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.608 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -52.96 -23.55 7.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.633 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -80.9 -70.89 0.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.258 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.82 ' O ' HD13 ' A' ' 78' ' ' LEU . 0.4 OUTLIER -47.2 -44.84 22.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.257 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.509 HD21 HD23 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -58.44 -52.59 64.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -47.6 -51.47 21.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.1 t -62.7 -40.29 96.67 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.494 1.121 . . . . 0.0 109.96 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.82 HD13 ' O ' ' A' ' 74' ' ' GLN . 5.9 mp -54.58 -45.52 73.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.618 HD12 HD21 ' A' ' 97' ' ' LEU . 12.2 mm -56.45 -54.62 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.427 ' HA ' ' CG ' ' A' ' 83' ' ' GLU . 0.5 OUTLIER -46.57 -28.81 1.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.409 1.068 . . . . 0.0 110.034 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -71.79 -39.42 69.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.33 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.808 ' HB1' HG12 ' A' ' 87' ' ' ILE . . . -65.53 -58.69 5.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.427 ' CG ' ' HA ' ' A' ' 80' ' ' SER . 0.0 OUTLIER -55.15 -35.27 64.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.309 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.7 m -67.38 -47.22 71.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.592 1.183 . . . . 0.0 110.448 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.87 0.06 22.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 110.282 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 71.78 88.06 0.14 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.525 1.141 . . . . 0.0 110.966 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.808 HG12 ' HB1' ' A' ' 82' ' ' ALA . 82.2 mt -52.41 156.41 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.459 0.74 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.727 HG23 ' H ' ' A' ' 89' ' ' GLY . 0.0 OUTLIER -42.75 -73.8 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.382 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.727 ' H ' HG23 ' A' ' 88' ' ' THR . . . -140.35 54.69 0.65 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.482 1.114 . . . . 0.0 111.026 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.466 ' HB2' ' CG2' ' A' ' 87' ' ' ILE . 60.4 t80 -80.26 142.34 34.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 0.733 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.55 ' OD1' HD12 ' A' ' 93' ' ' LEU . 2.2 m-20 -109.61 100.54 42.64 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 -23.62 13.73 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.881 HD13 ' N ' ' A' ' 94' ' ' ALA . 0.0 OUTLIER -56.58 -34.25 66.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.881 ' N ' HD13 ' A' ' 93' ' ' LEU . . . -63.59 -64.45 0.9 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.529 ' N ' ' CD ' ' A' ' 96' ' ' PRO . . . 125.4 -48.9 0.94 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.585 1.178 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.529 ' CD ' ' N ' ' A' ' 95' ' ' GLY . 18.2 Cg_endo -75.08 158.49 41.85 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.502 1.791 . . . . 0.0 110.931 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.618 HD21 HD12 ' A' ' 79' ' ' ILE . 19.0 tp -120.27 -48.79 2.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.439 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 0.1 OUTLIER -60.95 -27.4 68.21 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.439 1.087 . . . . 0.0 110.334 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.471 ' CG2' ' HB2' ' A' ' 96' ' ' PRO . 92.6 t -61.39 -47.12 94.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -71.35 -28.71 64.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.308 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.52 -37.98 71.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.375 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 98' ' ' ARG . 25.3 p30 -102.17 35.68 2.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -109.86 134.9 20.51 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.419 1.074 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 48.58 2.02 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.405 1.739 . . . . 0.0 110.973 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 20.7 mm-40 -147.72 -48.61 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.337 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -85.3 116.39 23.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.26 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 13.4 tm0? -106.41 -33.89 7.59 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -61.06 -56.89 21.42 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.868 HD23 ' HG2' ' A' ' 112' ' ' GLU . 1.3 mt -62.24 -44.91 95.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 0.734 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.45 -38.75 4.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 110.248 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.403 ' C ' ' N ' ' A' ' 113' ' ' TYR . 0.3 OUTLIER -75.75 -61.14 2.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.275 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.868 ' HG2' HD23 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -46.47 -24.71 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 0.0 110.256 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.426 ' N ' ' HG3' ' A' ' 112' ' ' GLU . 7.1 t80 -79.65 -40.89 28.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 111.017 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.423 ' NE2' ' OD1' ' A' ' 49' ' ' ASP . 26.5 mt-30 -59.36 -46.46 88.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.8 -49.82 23.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.708 HD11 ' HB3' ' A' ' 78' ' ' LEU . 7.6 tt -51.84 -42.44 62.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.939 ' CG ' HD13 ' A' ' 55' ' ' LEU . 74.4 t90 -59.27 -51.52 69.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.567 1.167 . . . . 0.0 107.975 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.834 HD11 HG11 ' A' ' 45' ' ' VAL . 64.9 mt -54.99 -36.08 65.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 116' ' ' LEU . . . -55.59 -58.58 7.19 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.435 1.084 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.503 ' HB1' ' HG3' ' A' ' 74' ' ' GLN . . . -51.45 -47.21 63.16 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.799 ' CE1' ' CZ2' ' A' ' 117' ' ' TRP . 0.3 OUTLIER -55.16 -50.03 70.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.59 -2.77 30.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.466 ' HB3' ' OE1' ' A' ' 74' ' ' GLN . . . -95.35 8.09 44.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.349 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 24.9 mt -86.84 157.55 54.56 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.115 . . . . 0.0 109.343 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 52.7 3.14 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.479 1.778 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.507 ' O ' ' N ' ' A' ' 128' ' ' ALA . . . 129.5 -42.16 1.45 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.453 ' OG ' ' N ' ' A' ' 128' ' ' ALA . 1.2 p 66.67 -62.05 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.77 . . . . 0.0 109.915 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.618 ' HB2' ' HB3' ' A' ' 37' ' ' PHE . . . -78.3 154.54 30.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 9.9 ttmt -151.9 167.59 27.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -159.96 161.06 26.84 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.793 ' HG2' ' HB2' ' A' ' 134' ' ' ALA . 17.9 Cg_endo -75.08 158.26 41.97 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.491 1.785 . . . . 0.0 110.95 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.97 -31.18 58.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.965 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.773 ' HA ' HD12 ' A' ' 136' ' ' ILE . 25.5 p-90 -75.06 -10.08 59.14 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.571 1.17 . . . . 0.0 107.936 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.793 ' HB2' ' HG2' ' A' ' 131' ' ' PRO . . . -69.38 -8.29 45.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.236 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.04 30.6 4.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.03 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.773 HD12 ' HA ' ' A' ' 133' ' ' TRP . 44.4 mt -119.9 118.64 57.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.641 HD23 ' OD1' ' A' ' 176' ' ' ASN . 0.3 OUTLIER -135.5 -178.5 5.14 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 138' ' ' GLN . . . . . 0.44 ' HG3' ' CG ' ' A' ' 144' ' ' TYR . 0.0 OUTLIER -99.04 113.58 25.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.274 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 139' ' ' GLY . . . . . 0.423 ' O ' ' NE2' ' A' ' 138' ' ' GLN . . . -70.08 144.99 40.54 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.7 HD21 ' HB2' ' A' ' 180' ' ' GLU . 2.1 tm? -57.56 -41.81 81.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.767 . . . . 0.0 109.212 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -114.27 41.38 2.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 110.287 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -125.96 160.38 57.1 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' PRO . . . . . 0.479 ' HB2' ' HB3' ' A' ' 146' ' ' ALA . 18.3 Cg_endo -74.98 99.55 1.26 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.579 1.831 . . . . 0.0 110.967 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' TYR . . . . . 0.625 ' O ' HG23 ' A' ' 148' ' ' VAL . 1.3 t80 -62.24 -48.08 81.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' HIS . . . . . 0.5 ' HA ' ' CD1' ' A' ' 199' ' ' LEU . 0.2 OUTLIER -53.03 -55.58 22.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.61 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.479 ' HB3' ' HB2' ' A' ' 143' ' ' PRO . . . -59.88 -24.39 64.23 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.539 1.149 . . . . 0.0 109.341 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 147' ' ' PHE . . . . . 0.538 ' CZ ' ' O ' ' A' ' 137' ' ' LEU . 0.1 OUTLIER -75.39 -41.79 55.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.437 1.086 . . . . 0.0 110.996 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 144' ' ' TYR . 46.2 t -60.18 -46.28 94.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.248 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.23 -53.3 59.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 110.237 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -44.65 93.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.294 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.693 ' O ' HD12 ' A' ' 155' ' ' LEU . 0.8 OUTLIER -49.1 -38.21 23.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.34 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -65.78 -47.85 73.78 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.561 1.163 . . . . 0.0 109.346 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.404 ' C ' ' N ' ' A' ' 155' ' ' LEU . 2.8 mt -62.33 -67.93 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -43.76 -29.84 0.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.583 1.177 . . . . 0.0 109.265 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 0.693 HD12 ' O ' ' A' ' 151' ' ' LEU . 5.8 mt -69.0 -60.66 2.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -50.11 -22.74 1.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 157' ' ' ASN . . . . . 0.404 ' N ' ' C ' ' A' ' 155' ' ' LEU . 0.9 OUTLIER -70.31 -30.07 66.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 158' ' ' GLY . . . . . 0.577 ' O ' HD22 ' A' ' 159' ' ' LEU . . . -137.27 44.46 1.14 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.493 1.12 . . . . 0.0 110.959 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.577 HD22 ' O ' ' A' ' 158' ' ' GLY . 0.5 OUTLIER -132.3 116.18 15.26 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.468 0.746 . . . . 0.0 109.319 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 161.74 38.27 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.448 1.762 . . . . 0.0 111.062 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -77.07 -3.99 42.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.327 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -111.39 23.96 16.9 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.52 1.137 . . . . 0.0 111.036 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 163' ' ' THR . . . . . 0.537 HG23 ' HD2' ' A' ' 164' ' ' PRO . 2.5 m -137.33 141.01 32.4 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.471 0.748 . . . . 0.0 110.385 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 164' ' ' PRO . . . . . 0.537 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.3 Cg_endo -75.0 134.23 17.55 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.488 1.783 . . . . 0.0 110.96 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 165' ' ' LYS . . . . . 0.551 ' HB2' HD12 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -113.77 -33.05 5.93 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 166' ' ' ASP . . . . . 0.509 ' N ' ' CD ' ' A' ' 167' ' ' PRO . 0.1 OUTLIER -41.02 -51.91 7.19 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 167' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 166' ' ' ASP . 18.3 Cg_endo -74.98 -52.71 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.538 1.81 . . . . 0.0 110.988 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -45.92 -47.34 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.228 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 169' ' ' LEU . . . . . 0.47 HD13 HD12 ' A' ' 155' ' ' LEU . 28.0 tp -61.48 -53.91 50.26 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 20.6 ttp85 -64.16 -12.04 36.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.273 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 171' ' ' SER . . . . . 0.494 ' O ' ' CB ' ' A' ' 175' ' ' SER . 0.3 OUTLIER -91.14 -33.74 15.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.967 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.504 HD21 ' CE3' ' A' ' 133' ' ' TRP . 7.0 mt -81.58 -16.27 52.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 173' ' ' ALA . . . . . 0.808 ' O ' ' HB2' ' A' ' 177' ' ' ALA . . . -92.91 -32.56 14.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.245 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 174' ' ' TYR . . . . . 0.404 ' C ' ' N ' ' A' ' 176' ' ' ASN . 81.1 t80 -107.28 -68.47 0.89 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 110.971 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 175' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 171' ' ' SER . 0.1 OUTLIER -44.92 -26.87 0.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.102 . . . . 0.0 109.99 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 176' ' ' ASN . . . . . 0.641 ' OD1' HD23 ' A' ' 137' ' ' LEU . 27.6 m-20 -125.04 61.68 1.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.258 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 177' ' ' ALA . . . . . 0.808 ' HB2' ' O ' ' A' ' 173' ' ' ALA . . . -132.98 147.19 52.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 178' ' ' ASN . . . . . 0.549 ' OD1' HD23 ' A' ' 140' ' ' LEU . 0.4 OUTLIER -50.92 179.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.11 -36.53 47.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.221 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 180' ' ' GLU . . . . . 0.7 ' HB2' HD21 ' A' ' 140' ' ' LEU . 0.2 OUTLIER -73.53 -29.73 62.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 110.338 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 181' ' ' CYS . . . . . 0.576 ' SG ' ' CD2' ' A' ' 144' ' ' TYR . 23.3 t -72.03 -59.86 2.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 108.32 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 182' ' ' GLN . . . . . 0.689 ' HG3' ' HB3' ' A' ' 177' ' ' ALA . 27.8 mt-30 -55.78 -43.46 76.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 0.0 110.266 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 9.3 ttpp -60.1 -35.89 76.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.685 ' C ' HD23 ' A' ' 184' ' ' LEU . 3.3 tt -64.21 -56.96 11.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 185' ' ' LEU . . . . . 0.719 HD11 ' HE2' ' A' ' 198' ' ' MET . 4.9 mt -47.27 -50.44 21.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 186' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 189' ' ' GLY . 0.0 OUTLIER -61.32 -60.95 2.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.344 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -44.62 -27.04 0.43 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.138 . . . . 0.0 109.337 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 188' ' ' ARG . . . . . 0.601 ' HD2' ' HB1' ' A' ' 201' ' ' ALA . 0.2 OUTLIER -78.04 -44.89 25.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 189' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 186' ' ' GLN . . . 82.53 72.52 1.26 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.494 1.121 . . . . 0.0 111.043 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 190' ' ' HIS . . . . . 0.688 ' NE2' HD23 ' A' ' 185' ' ' LEU . 4.5 p80 -166.71 29.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 0.733 . . . . 0.0 109.588 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 1.9 p -58.43 -50.26 74.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.336 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -63.97 -32.23 73.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 109.317 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 193' ' ' SER . . . . . 0.497 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.2 OUTLIER -49.46 178.03 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 109.983 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 194' ' ' PRO . . . . . 0.497 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.5 Cg_endo -74.92 -166.69 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.529 1.805 . . . . 0.0 111.065 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 195' ' ' LEU . . . . . 0.998 HD12 ' SD ' ' A' ' 198' ' ' MET . 4.4 tp -86.65 -40.28 15.27 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -47.23 -34.41 8.41 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.468 1.105 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 197' ' ' ASP . . . . . 0.423 ' HB3' ' ND1' ' A' ' 190' ' ' HIS . 46.4 t0 -69.42 -32.3 71.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 0.736 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 198' ' ' MET . . . . . 0.998 ' SD ' HD12 ' A' ' 195' ' ' LEU . 59.1 mtp -62.96 -31.52 72.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 199' ' ' LEU . . . . . 0.505 HD11 ' HB ' ' A' ' 148' ' ' VAL . 2.9 mm? -83.34 -21.69 33.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -91.22 -8.14 49.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ALA . . . . . 0.601 ' HB1' ' HD2' ' A' ' 188' ' ' ARG . . . -97.21 -38.65 9.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 202' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 203' ' ' GLN . 14.5 p -82.43 -24.22 34.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 108.28 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 203' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 202' ' ' CYS . 17.6 pt20 -35.53 -42.22 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 204' ' ' THR . . . . . 0.542 ' OG1' HG22 ' A' ' 206' ' ' THR . 4.4 t -99.83 -50.5 4.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.406 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 205' ' ' TRP . . . . . 0.639 ' HA ' HD11 ' A' ' 184' ' ' LEU . 4.6 t90 40.94 60.24 2.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 107.975 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 206' ' ' THR . . . . . 0.789 ' O ' HG23 ' A' ' 206' ' ' THR . 9.9 t -141.55 69.44 25.89 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 110.402 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 87.07 1.36 Allowed 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.518 1.799 . . . . 0.0 110.987 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 208' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -121.66 -57.67 1.8 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.398 1.061 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . 19.0 t70 178.3 -50.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.582 1.176 . . . . 0.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -55.68 118.17 4.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 109.297 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 211' ' ' THR . . . . . 0.63 HG22 HG23 ' A' ' 213' ' ' VAL . 3.4 m -144.68 94.48 2.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.433 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.38 113.47 0.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 213' ' ' VAL . . . . . 0.63 HG23 HG22 ' A' ' 211' ' ' THR . 48.8 t -138.67 94.91 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.326 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 214' ' ' LEU . . . . . . . . . . . . . 1.2 tt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.582 1.176 . . . . 0.0 109.282 -179.964 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -63.9 -178.01 0.29 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.62 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -78.09 146.59 35.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.568 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -56.52 130.62 45.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.414 1.071 . . . . 0.0 109.562 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -99.53 166.67 11.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 109.604 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.3 t -161.31 113.84 1.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.958 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.6 t -80.14 -57.75 3.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -124.25 153.19 17.5 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.471 1.107 . . . . 0.0 110.957 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.422 ' CE1' ' O ' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -158.16 174.61 14.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.403 0.707 . . . . 0.0 109.675 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.422 ' O ' ' CE1' ' A' ' 9' ' ' HIS . 7.1 pt -74.42 166.67 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.589 1.181 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -115.94 170.83 8.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 0.0 110.273 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -110.37 -164.83 19.2 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.521 1.138 . . . . 0.0 110.968 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -144.06 82.39 1.71 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 0.748 . . . . 0.0 110.331 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -142.7 65.07 1.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.65 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.556 ' HG3' ' CE1' ' A' ' 48' ' ' PHE . 3.0 ttt 62.04 108.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.978 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 43.3 tp60 -80.99 145.72 31.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.323 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.43 -36.97 7.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.6 pttt -64.59 -40.1 94.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -52.97 -47.13 68.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.478 ' CD2' ' CE ' ' A' ' 15' ' ' MET . 17.0 mt -62.69 -36.82 84.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -63.16 -57.26 11.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.424 1.078 . . . . 0.0 110.295 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.32 -45.47 69.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.455 ' HA ' ' CG ' ' A' ' 26' ' ' GLU . 57.7 mt -51.97 -50.81 32.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.581 1.175 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -50.64 -31.52 16.36 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.518 1.137 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.26 -71.06 0.36 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.661 ' CD ' HG23 ' A' ' 40' ' ' THR . 7.3 pt-20 -46.46 -24.53 0.52 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.517 1.136 . . . . 0.0 110.328 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.575 HG23 HG21 ' A' ' 40' ' ' THR . 14.1 t -80.6 -47.96 20.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.1 t -46.5 -37.46 7.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.024 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -59.16 -42.37 90.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.472 ' CB ' ' HB3' ' A' ' 36' ' ' GLN . . . -62.92 179.27 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.47 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -130.56 163.21 49.94 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.47 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.1 Cg_endo -75.04 63.29 6.02 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.516 1.798 . . . . 0.0 110.965 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 161.7 -34.28 0.37 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.2 t -68.42 141.65 93.6 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.464 0.744 . . . . 0.0 109.988 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 52.07 2.96 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.521 1.801 . . . . 0.0 111.063 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.472 ' HB3' ' CB ' ' A' ' 30' ' ' ALA . 9.5 tp60 -120.93 -41.83 2.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.34 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.422 ' HD1' HG13 ' A' ' 27' ' ' VAL . 3.6 t80 -64.21 -63.0 1.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 9.5 tpt -47.56 -47.09 28.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.937 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -51.17 -48.18 61.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.544 1.152 . . . . 0.0 110.323 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.661 HG23 ' CD ' ' A' ' 26' ' ' GLU . 5.1 m -56.46 -27.71 57.68 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.478 1.111 . . . . 0.0 110.435 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.672 HG22 HD21 ' A' ' 118' ' ' LEU . 4.6 mm -74.81 -39.67 45.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.888 ' HD2' HD13 ' A' ' 118' ' ' LEU . 5.8 mmm180 -74.63 -22.48 58.89 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.6 tp -78.17 -48.3 16.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.53 -49.47 73.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.977 HG11 HD11 ' A' ' 118' ' ' LEU . 0.3 OUTLIER -60.75 -26.61 38.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.328 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -95.29 0.07 53.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.271 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -89.26 -72.11 0.57 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.388 1.055 . . . . 0.0 110.246 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.556 ' CE1' ' HG3' ' A' ' 15' ' ' MET . 8.0 p90 -110.42 -26.4 9.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.427 ' CB ' ' O ' ' A' ' 48' ' ' PHE . 1.9 m-20 76.75 92.58 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.352 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.436 ' HB2' ' CB ' ' A' ' 54' ' ' ASP . 18.1 Cg_endo -75.02 143.39 28.94 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.524 1.802 . . . . 0.0 110.984 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.8 p -65.69 -173.62 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.381 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 98' ' ' ARG . . . -65.83 -52.44 50.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.429 ' HD3' ' N ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -55.7 -39.86 71.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.436 ' CB ' ' HB2' ' A' ' 50' ' ' PRO . 96.3 m-20 -59.12 -40.0 84.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 109.351 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 1.012 HD13 ' CG ' ' A' ' 117' ' ' TRP . 26.0 mt -64.61 -44.63 89.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.438 ' CA ' ' OE1' ' A' ' 56' ' ' GLN . 4.0 tp60 -55.34 -51.6 66.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.298 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -64.92 -45.03 87.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.335 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 20.7 tp -56.19 -31.95 63.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.498 HD12 ' HB2' ' A' ' 63' ' ' CYS . 46.0 tp -64.23 -58.11 7.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.533 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 0.7 OUTLIER -63.46 -23.1 67.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.531 1.145 . . . . 0.0 110.316 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -63.22 -59.44 4.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.7 mt -96.06 -69.28 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.498 ' HB2' HD12 ' A' ' 59' ' ' LEU . 68.4 m -51.97 137.88 25.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.559 1.162 . . . . 0.0 108.245 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.9 t -75.59 -177.59 3.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 109.988 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 36.5 m -61.24 -51.29 69.59 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.491 1.119 . . . . 0.0 109.974 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.1 tp -53.37 -61.21 2.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.523 ' CG1' HD13 ' A' ' 124' ' ' LEU . 18.4 t -54.41 -56.52 9.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.475 ' HA ' HD21 ' A' ' 59' ' ' LEU . . . -43.97 -37.45 2.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.2 p -75.99 -38.75 57.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.976 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 67' ' ' VAL . 20.2 mt -59.88 -54.57 44.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.558 ' CE1' ' CD1' ' A' ' 117' ' ' TRP . 2.0 t60 -60.28 -38.82 84.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.556 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -50.31 -35.71 28.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.576 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -74.07 -63.65 1.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.364 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -47.96 -28.21 2.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 110.383 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.826 HD13 ' CD1' ' A' ' 79' ' ' ILE . 0.4 OUTLIER -79.91 -49.01 12.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -52.05 -46.8 65.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.395 1.059 . . . . 0.0 109.277 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.27 -33.57 75.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.125 . . . . 0.0 110.046 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.912 HD23 ' HG ' ' A' ' 116' ' ' LEU . 4.2 tp -56.74 -56.59 19.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.404 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.826 ' CD1' HD13 ' A' ' 75' ' ' LEU . 2.3 mp -53.19 -46.69 56.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.466 ' HA ' ' CG ' ' A' ' 83' ' ' GLU . 33.4 t -47.93 -31.74 5.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.95 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -72.03 -50.4 28.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.344 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.964 ' HB1' HD11 ' A' ' 87' ' ' ILE . . . -58.08 -60.13 4.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -51.45 -43.36 62.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.249 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.3 m -57.22 -44.84 84.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.326 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.79 -0.18 49.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.576 1.172 . . . . 0.0 110.315 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 55.52 81.7 0.06 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.485 1.115 . . . . 0.0 110.97 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 1.089 HD13 HD21 ' A' ' 109' ' ' LEU . 3.6 mt -40.26 140.24 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.763 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 87' ' ' ILE . 1.6 t -38.09 -30.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 110.348 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.706 ' H ' HG22 ' A' ' 87' ' ' ILE . . . -142.63 58.07 0.55 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.475 1.109 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 83' ' ' GLU . 23.0 t80 -79.41 174.5 11.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 0.793 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.507 ' HB2' ' NE2' ' A' ' 100' ' ' GLN . 0.6 OUTLIER -160.18 115.3 1.45 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -35.44 3.16 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.536 1.809 . . . . 0.0 110.992 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.996 ' O ' HD22 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -55.34 -22.04 17.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.117 . . . . 0.0 109.288 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.831 ' N ' HD13 ' A' ' 93' ' ' LEU . . . -101.38 54.33 0.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.467 ' C ' ' O ' ' A' ' 94' ' ' ALA . . . -31.88 -55.29 0.38 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.499 1.124 . . . . 0.0 111.045 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.415 ' CD ' ' N ' ' A' ' 95' ' ' GLY . 18.3 Cg_endo -75.0 85.42 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.486 1.782 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.878 HD11 HD22 ' A' ' 109' ' ' LEU . 6.2 tp -42.81 -41.43 3.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 109.345 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.432 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 3.4 ptt180 -46.93 -38.99 11.43 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.467 1.105 . . . . 0.0 110.294 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 70.1 t -73.05 -49.25 40.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.163 . . . . 0.0 109.302 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.507 ' NE2' ' HB2' ' A' ' 91' ' ' ASN . 1.5 tt0 -55.71 -20.33 14.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.254 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -102.54 15.79 28.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 109.287 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -120.88 -2.45 9.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.392 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -92.44 138.14 24.21 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 48.63 2.06 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.501 1.79 . . . . 0.0 111.046 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -140.3 -48.31 0.44 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.493 1.121 . . . . 0.0 110.251 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 -80.96 90.68 5.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -89.87 -29.34 18.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.132 . . . . 0.0 110.276 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -68.19 -58.99 6.69 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 1.089 HD21 HD13 ' A' ' 87' ' ' ILE . 0.5 OUTLIER -65.88 -12.46 54.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 0.777 . . . . 0.0 109.26 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -72.36 -56.78 4.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 110.228 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -46.86 85.8 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 113' ' ' TYR . 0.0 OUTLIER -52.17 -33.99 42.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 110.264 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.491 ' HA ' HD22 ' A' ' 116' ' ' LEU . 3.5 t80 -68.96 -45.31 71.04 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.547 1.154 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -50.22 -43.6 52.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.297 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -77.16 -45.81 25.48 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.446 1.091 . . . . 0.0 110.319 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.912 ' HG ' HD23 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -53.22 -35.48 59.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.274 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 1.012 ' CG ' HD13 ' A' ' 55' ' ' LEU . 32.0 t90 -68.68 -63.77 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 107.964 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.977 HD11 HG11 ' A' ' 45' ' ' VAL . 97.8 mt -45.41 -28.53 0.89 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.113 . . . . 0.0 109.368 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.539 ' HB3' ' O ' ' A' ' 116' ' ' LEU . . . -63.25 -66.36 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.424 ' HB3' ' ND1' ' A' ' 71' ' ' HIS . . . -56.74 -25.2 54.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.639 ' CE1' ' CZ2' ' A' ' 117' ' ' TRP . 0.4 OUTLIER -71.71 -47.93 50.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.555 1.159 . . . . 0.0 111.009 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.426 ' HB1' ' HB3' ' A' ' 128' ' ' ALA . . . -80.19 -0.2 35.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 109.253 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -88.89 1.51 55.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.604 1.19 . . . . 0.0 109.23 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.523 HD13 ' CG1' ' A' ' 67' ' ' VAL . 53.8 mt -74.75 156.53 86.52 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.102 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -6.36 17.98 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.438 1.757 . . . . 0.0 110.981 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -140.52 58.04 0.59 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.548 1.155 . . . . 0.0 110.937 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 22.7 t -148.57 -53.75 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 0.728 . . . . 0.0 110.03 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.426 ' HB3' ' HB1' ' A' ' 122' ' ' ALA . . . -161.13 120.11 2.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.243 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.68 146.22 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -176.97 91.09 0.25 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 112.04 3.47 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.461 1.769 . . . . 0.0 111.045 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.59 -24.52 56.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.978 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.591 ' CE3' HD11 ' A' ' 172' ' ' LEU . 43.0 p-90 -76.49 -21.59 55.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 108.005 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.6 -9.01 47.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 57.0 p -125.78 30.35 5.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.96 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.533 HD12 ' HA ' ' A' ' 133' ' ' TRP . 18.0 mt -123.39 120.63 60.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.573 1.171 . . . . 0.0 109.235 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.564 HD23 ' CG ' ' A' ' 176' ' ' ASN . 0.3 OUTLIER -137.17 149.12 47.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 109.242 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 138' ' ' GLN . . . . . 0.608 ' OE1' ' CD2' ' A' ' 144' ' ' TYR . 0.8 OUTLIER -73.67 127.22 32.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -92.28 134.68 12.34 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.465 1.103 . . . . 0.0 110.943 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.511 ' O ' ' CH2' ' A' ' 205' ' ' TRP . 0.0 OUTLIER -49.51 -42.78 44.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 0.754 . . . . 0.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -100.61 38.8 1.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -128.54 161.26 58.11 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 110.258 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' PRO . . . . . 0.558 ' HB2' ' HB3' ' A' ' 146' ' ' ALA . 18.4 Cg_endo -74.99 104.48 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.562 1.822 . . . . 0.0 111.043 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 144' ' ' TYR . . . . . 0.626 ' O ' HG23 ' A' ' 148' ' ' VAL . 0.5 OUTLIER -55.75 -62.99 1.32 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 111.032 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -45.26 -44.95 11.7 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.57 1.169 . . . . 0.0 109.64 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.558 ' HB3' ' HB2' ' A' ' 143' ' ' PRO . . . -63.32 -50.88 68.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 147' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 138' ' ' GLN . 9.8 t80 -53.38 -38.75 63.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 110.928 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.884 ' CG1' HD21 ' A' ' 195' ' ' LEU . 47.0 t -64.6 -58.46 7.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -48.13 -41.69 27.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 153' ' ' ILE . 0.4 OUTLIER -68.42 -58.64 4.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.277 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.826 ' O ' HD12 ' A' ' 155' ' ' LEU . 0.2 OUTLIER -39.37 -32.76 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 152' ' ' ASN . . . . . 0.413 ' N ' ' C ' ' A' ' 150' ' ' ARG . 2.5 t30 -72.79 -53.99 10.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.436 ' N ' ' O ' ' A' ' 150' ' ' ARG . 4.2 mt -59.74 -64.72 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.345 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -42.18 -37.19 1.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 0.826 HD12 ' O ' ' A' ' 151' ' ' LEU . 4.1 mt -64.2 -65.58 0.66 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -49.06 -23.48 1.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.284 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.39 -25.99 68.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -148.52 43.34 0.81 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.483 1.115 . . . . 0.0 111.029 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.708 HD12 ' HB2' ' A' ' 165' ' ' LYS . 0.4 OUTLIER -126.05 103.67 26.67 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.497 0.763 . . . . 0.0 109.348 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 141.31 26.29 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.483 1.781 . . . . 0.0 110.993 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -50.29 -28.11 7.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.363 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -60.95 -22.82 60.7 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.457 1.098 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 163' ' ' THR . . . . . 0.424 HG23 ' HD2' ' A' ' 164' ' ' PRO . 0.9 OUTLIER -118.71 141.84 30.66 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.513 0.772 . . . . 0.0 110.409 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 164' ' ' PRO . . . . . 0.424 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.6 Cg_endo -74.95 143.8 29.68 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.468 1.773 . . . . 0.0 110.975 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 165' ' ' LYS . . . . . 0.708 ' HB2' HD12 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -117.44 -37.38 3.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 166' ' ' ASP . . . . . 0.51 ' N ' ' CD ' ' A' ' 167' ' ' PRO . 0.3 OUTLIER -41.54 -51.5 8.82 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.345 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 167' ' ' PRO . . . . . 0.51 ' CD ' ' N ' ' A' ' 166' ' ' ASP . 18.3 Cg_endo -75.03 -48.58 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.543 1.812 . . . . 0.0 110.995 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 168' ' ' ILE . . . . . 0.728 HG23 HD12 ' A' ' 172' ' ' LEU . 0.0 OUTLIER -50.52 -33.38 11.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 169' ' ' LEU . . . . . 0.842 ' CD2' HD22 ' A' ' 195' ' ' LEU . 34.5 tp -62.24 -66.51 0.53 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 24.2 ptt85 -54.83 -36.15 64.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.347 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 171' ' ' SER . . . . . 0.4 ' O ' ' OG ' ' A' ' 175' ' ' SER . 0.2 OUTLIER -69.79 -23.65 63.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.999 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.741 ' HB3' HD11 ' A' ' 151' ' ' LEU . 3.9 mt -84.29 -48.91 9.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 173' ' ' ALA . . . . . 0.907 ' O ' ' HB2' ' A' ' 177' ' ' ALA . . . -63.68 -13.14 40.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -103.7 -51.41 3.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 175' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 171' ' ' SER . 93.7 p -66.05 -36.3 82.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.018 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 176' ' ' ASN . . . . . 0.564 ' CG ' HD23 ' A' ' 137' ' ' LEU . 69.5 m-20 -113.15 61.09 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.359 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 177' ' ' ALA . . . . . 0.907 ' HB2' ' O ' ' A' ' 173' ' ' ALA . . . -129.23 138.69 51.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 178' ' ' ASN . . . . . 0.442 ' OD1' ' NE2' ' A' ' 138' ' ' GLN . 2.6 p-10 -52.14 -176.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.35 -55.32 5.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -52.7 -27.84 19.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.162 . . . . 0.0 110.291 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 181' ' ' CYS . . . . . 0.73 ' SG ' ' HB1' ' A' ' 177' ' ' ALA . 9.0 t -77.85 -65.53 0.96 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.55 1.156 . . . . 0.0 108.273 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 182' ' ' GLN . . . . . 0.455 ' O ' ' CG ' ' A' ' 186' ' ' GLN . 0.0 OUTLIER -47.79 -35.3 9.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.101 . . . . 0.0 110.254 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 183' ' ' LYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 187' ' ' ALA . 6.4 ttpt -70.53 -33.55 71.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.373 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.61 HD23 ' HG3' ' A' ' 188' ' ' ARG . 4.2 tt -68.04 -56.42 8.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 185' ' ' LEU . . . . . 0.711 HD23 ' NE2' ' A' ' 190' ' ' HIS . 9.7 mt -53.87 -58.16 8.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 186' ' ' GLN . . . . . 0.942 ' OE1' HG21 ' A' ' 191' ' ' THR . 4.5 mm100 -53.41 -53.41 51.59 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.479 1.112 . . . . 0.0 110.341 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 187' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 183' ' ' LYS . . . -53.04 -46.96 68.7 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.633 1.208 . . . . 0.0 109.309 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 188' ' ' ARG . . . . . 0.61 ' HG3' HD23 ' A' ' 184' ' ' LEU . 0.0 OUTLIER -59.87 -28.12 67.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 110.338 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 71.62 54.41 8.62 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.472 1.107 . . . . 0.0 111.032 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 190' ' ' HIS . . . . . 0.711 ' NE2' HD23 ' A' ' 185' ' ' LEU . 2.2 p80 -153.89 36.0 0.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 0.764 . . . . 0.0 109.584 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 191' ' ' THR . . . . . 0.942 HG21 ' OE1' ' A' ' 186' ' ' GLN . 1.3 p -61.58 -49.98 74.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 110.432 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -83.08 58.41 4.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 193' ' ' SER . . . . . 0.535 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER -136.32 179.99 1.22 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.003 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 194' ' ' PRO . . . . . 0.535 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.1 Cg_endo -75.06 -174.96 2.14 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.494 1.786 . . . . 0.0 110.982 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 195' ' ' LEU . . . . . 0.884 HD21 ' CG1' ' A' ' 148' ' ' VAL . 14.5 tp -79.62 -40.61 28.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.416 1.072 . . . . 0.0 109.373 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -45.68 -43.92 11.83 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.467 1.105 . . . . 0.0 110.988 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 197' ' ' ASP . . . . . 0.493 ' HB3' ' CE1' ' A' ' 190' ' ' HIS . 5.8 t0 -66.38 -32.75 74.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 0.8 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 198' ' ' MET . . . . . 0.584 ' HG3' HD21 ' A' ' 185' ' ' LEU . 42.1 ttm -61.36 -45.52 94.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.96 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 199' ' ' LEU . . . . . 0.599 HD21 HG11 ' A' ' 148' ' ' VAL . 2.7 mm? -67.23 -23.59 65.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.346 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 200' ' ' ARG . . . . . 0.408 ' O ' ' CD ' ' A' ' 203' ' ' GLN . 7.3 mtp180 -84.02 -12.92 54.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.344 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -96.45 -43.21 7.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 202' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 205' ' ' TRP . 14.0 p -77.54 -15.56 59.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 108.385 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 203' ' ' GLN . . . . . 0.448 ' HG3' ' N ' ' A' ' 204' ' ' THR . 15.6 pt20 -41.72 -46.65 3.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.266 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 204' ' ' THR . . . . . 0.448 ' N ' ' HG3' ' A' ' 203' ' ' GLN . 0.0 OUTLIER -71.73 -33.43 68.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.385 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 205' ' ' TRP . . . . . 0.511 ' CH2' ' O ' ' A' ' 140' ' ' LEU . 1.9 t90 -71.26 61.07 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 206' ' ' THR . . . . . 0.418 ' N ' ' O ' ' A' ' 204' ' ' THR . 11.6 t -146.37 118.6 4.96 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.401 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 77.72 3.05 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.55 1.816 . . . . 0.0 110.974 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 208' ' ' LYS . . . . . . . . . . . . . 3.7 mttp -176.4 103.57 0.06 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.572 1.17 . . . . 0.0 109.348 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -179.55 96.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.77 67.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.596 1.185 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 33.1 p -133.14 128.12 35.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.556 1.16 . . . . 0.0 110.382 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -150.75 -66.14 0.19 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 213' ' ' VAL . . . . . . . . . . . . . 62.7 t 48.64 92.49 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 214' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -152.66 149.49 28.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.552 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -126.52 175.05 8.2 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.451 1.094 . . . . 0.0 109.571 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -155.75 174.81 14.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.584 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -162.22 174.77 12.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.416 1.072 . . . . 0.0 109.607 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.0 p -170.28 -57.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.115 . . . . 0.0 110.003 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.8 m 62.71 106.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 110.008 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -86.8 -156.42 28.99 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.491 1.12 . . . . 0.0 110.968 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.402 ' O ' HD13 ' A' ' 10' ' ' ILE . 3.7 p80 -153.11 175.3 13.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 0.782 . . . . 0.0 109.576 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.402 HD13 ' O ' ' A' ' 9' ' ' HIS . 25.2 mm -115.72 131.6 67.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -85.99 164.77 17.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 57.59 157.5 0.02 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.528 1.142 . . . . 0.0 110.986 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.53 85.87 1.73 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 0.734 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.6 m170 -112.94 66.17 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.579 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.433 ' HE3' ' HE1' ' A' ' 48' ' ' PHE . 2.8 ttt 53.22 102.02 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.484 1.115 . . . . 0.0 110.967 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' A' ' 19' ' ' ASP . 4.3 pm0 -81.17 148.26 29.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.9 tpt -46.29 -30.71 2.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 0.0 110.94 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.41 -37.21 82.64 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.567 1.167 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 16' ' ' GLN . 54.4 m-20 -63.14 -54.88 30.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.582 ' HA ' HD12 ' A' ' 23' ' ' ILE . 8.4 mt -56.7 -33.3 66.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -64.66 -53.1 52.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.03 -41.32 87.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.237 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.582 HD12 ' HA ' ' A' ' 20' ' ' LEU . 61.4 mt -56.2 -53.89 34.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.356 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.623 ' HA ' HD21 ' A' ' 62' ' ' LEU . 7.0 ttpp -54.01 -23.24 12.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.593 1.183 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -78.87 -69.96 0.53 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.608 1.193 . . . . 0.0 110.225 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.767 ' CD ' HG23 ' A' ' 40' ' ' THR . 2.7 pt-20 -48.69 -23.17 0.94 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.503 1.127 . . . . 0.0 110.249 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.851 HG23 HG21 ' A' ' 40' ' ' THR . 2.9 t -79.83 -52.83 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.566 1.166 . . . . 0.0 109.352 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.28 -31.18 8.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.956 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -63.11 -45.59 91.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 110.289 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.708 ' HB1' ' HB2' ' A' ' 36' ' ' GLN . . . -53.33 174.76 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.461 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -95.93 162.73 23.02 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.461 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.0 Cg_endo -75.05 81.54 2.2 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.488 1.783 . . . . 0.0 110.934 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 106.93 61.47 0.58 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.545 1.153 . . . . 0.0 110.967 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.69 161.09 51.17 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.403 0.708 . . . . 0.0 110.037 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 48.19 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.563 1.823 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.708 ' HB2' ' HB1' ' A' ' 30' ' ' ALA . 63.2 mm-40 -121.58 -64.77 1.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.754 ' HE1' HD13 ' A' ' 62' ' ' LEU . 2.6 t80 -47.85 -48.72 30.82 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.507 1.13 . . . . 0.0 110.934 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 10.6 tpt -55.1 -48.44 73.57 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.437 1.085 . . . . 0.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -55.06 -45.5 75.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 110.272 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.851 HG21 HG23 ' A' ' 27' ' ' VAL . 1.2 m -54.02 -32.29 53.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.361 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.776 HG22 HD21 ' A' ' 118' ' ' LEU . 3.1 mm -66.53 -56.18 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.431 ' CD ' HD13 ' A' ' 118' ' ' LEU . 0.1 OUTLIER -55.76 -34.85 65.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.327 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.22 -51.58 67.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.402 1.063 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.88 -36.57 83.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.458 HG22 ' HD2' ' A' ' 50' ' ' PRO . 1.4 t -67.85 -30.87 49.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -88.64 -6.64 57.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -84.4 -74.73 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.322 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.433 ' HE1' ' HE3' ' A' ' 15' ' ' MET . 1.2 p90 -114.94 -18.95 11.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 68.85 97.87 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.42 1.075 . . . . 0.0 109.395 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.458 ' HD2' HG22 ' A' ' 45' ' ' VAL . 18.2 Cg_endo -74.97 123.66 8.06 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.499 1.789 . . . . 0.0 111.014 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 42.3 p -55.27 -169.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.396 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.42 -44.64 74.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.431 ' HD3' ' N ' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -60.21 -40.91 91.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.353 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.431 ' N ' ' HD3' ' A' ' 53' ' ' LYS . 87.0 m-20 -65.22 -36.43 84.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.354 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 1.106 HD13 ' CG ' ' A' ' 117' ' ' TRP . 22.1 mt -69.43 -46.32 67.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -51.25 -50.35 59.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.589 1.18 . . . . 0.0 110.339 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.418 ' C ' ' N ' ' A' ' 59' ' ' LEU . 0.3 OUTLIER -70.56 -55.18 9.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.446 HD13 HD23 ' A' ' 20' ' ' LEU . 20.1 tp -45.42 -26.04 0.5 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.42 HD11 ' HA ' ' A' ' 68' ' ' ALA . 30.6 tp -75.89 -53.04 9.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -87.58 22.36 2.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 110.32 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.501 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 28.1 t80 -120.58 -34.97 3.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 110.986 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.754 HD13 ' HE1' ' A' ' 37' ' ' PHE . 2.1 mt -95.45 -63.16 1.19 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.333 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.498 ' SG ' HG12 ' A' ' 67' ' ' VAL . 16.5 p -86.46 170.75 11.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.564 1.165 . . . . 0.0 108.355 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.5 m -81.54 -177.94 6.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.018 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 32.7 t -66.54 -37.7 85.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 110.017 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.46 ' C ' HD12 ' A' ' 66' ' ' LEU . 1.6 tp -51.62 -68.18 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.511 ' HA ' HD12 ' A' ' 70' ' ' LEU . 2.4 t -52.05 -52.33 24.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.4 1.063 . . . . 0.0 109.281 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.42 ' HA ' HD11 ' A' ' 59' ' ' LEU . . . -44.32 -41.41 6.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.3 t -71.01 -41.33 71.04 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.461 1.1 . . . . 0.0 109.947 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 67' ' ' VAL . 52.6 mt -58.39 -50.03 75.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.229 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.591 ' CD2' ' HB3' ' A' ' 120' ' ' ALA . 0.4 OUTLIER -61.59 -42.83 99.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.598 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.31 -23.85 25.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.56 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -80.02 -71.23 0.47 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.352 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.796 ' OE1' ' HB3' ' A' ' 123' ' ' ALA . 1.7 pt20 -49.03 -41.09 33.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.337 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.567 HD23 ' HB2' ' A' ' 120' ' ' ALA . 1.3 tm? -62.89 -52.15 64.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -44.93 -35.54 2.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.16 . . . . 0.0 109.317 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.7 t -66.49 -45.32 80.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 110.024 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.732 ' HB3' HD12 ' A' ' 116' ' ' LEU . 11.0 mp -49.91 -51.77 38.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.684 HD12 HD11 ' A' ' 116' ' ' LEU . 1.2 mp -52.2 -54.76 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.086 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.408 ' O ' ' CB ' ' A' ' 84' ' ' THR . 0.2 OUTLIER -41.6 -31.9 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.0 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -76.61 -46.42 26.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.291 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.888 ' HB1' HG12 ' A' ' 87' ' ' ILE . . . -62.24 -66.05 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -46.07 -38.28 7.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.337 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.408 ' CB ' ' O ' ' A' ' 80' ' ' SER . 1.4 m -62.55 -48.72 78.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.431 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.94 -3.9 28.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 84.02 -11.75 56.23 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.502 1.126 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.888 HG12 ' HB1' ' A' ' 82' ' ' ALA . 66.1 mt 63.9 157.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.552 0.795 . . . . 0.0 109.256 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.2 t -42.32 -47.93 4.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 110.372 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -169.97 53.73 0.2 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.432 1.082 . . . . 0.0 111.034 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.637 ' CG ' HD12 ' A' ' 87' ' ' ILE . 30.4 t80 -78.42 154.43 30.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 0.786 . . . . 0.0 110.982 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -112.87 95.53 34.09 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -26.89 10.54 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.492 1.786 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.878 HD13 ' N ' ' A' ' 94' ' ' ALA . 0.0 OUTLIER -57.66 -34.05 68.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.878 ' N ' HD13 ' A' ' 93' ' ' LEU . . . -63.27 -64.48 0.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.526 ' N ' ' CD ' ' A' ' 96' ' ' PRO . . . 125.41 -48.99 0.93 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.48 1.112 . . . . 0.0 111.012 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.526 ' CD ' ' N ' ' A' ' 95' ' ' GLY . 18.5 Cg_endo -74.98 158.74 42.1 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.506 1.793 . . . . 0.0 110.982 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.476 ' CD2' HG12 ' A' ' 79' ' ' ILE . 47.6 tp -120.04 -52.46 2.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.248 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.96 -25.18 27.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.221 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.473 ' CG2' ' HB2' ' A' ' 96' ' ' PRO . 84.0 t -65.83 -43.66 93.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.425 ' HA ' ' ND2' ' A' ' 103' ' ' ASN . 23.5 mp0 -74.99 -9.98 59.04 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.494 1.121 . . . . 0.0 110.351 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -114.89 15.21 17.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 56.3 m-20 -121.83 -0.75 9.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.449 1.093 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.425 ' ND2' ' HA ' ' A' ' 100' ' ' GLN . 10.8 p30 -105.23 124.22 37.19 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.358 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 48.92 2.11 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.437 1.756 . . . . 0.0 110.961 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -121.78 -56.71 1.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -98.11 95.83 7.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 110.358 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -75.2 -7.68 54.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.257 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -59.95 -57.97 16.58 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.53 1.144 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.3 mt -81.19 -31.58 33.92 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 0.767 . . . . 0.0 109.338 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.2 ttp85 -56.42 -50.6 71.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -70.37 -44.15 68.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 110.277 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -54.29 -44.83 72.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.236 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.455 ' CD1' HD12 ' A' ' 55' ' ' LEU . 7.4 t80 -61.78 -43.64 98.45 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.563 1.165 . . . . 0.0 111.039 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.56 -44.37 62.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.271 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 118' ' ' LEU . 0.8 OUTLIER -78.01 -62.59 1.62 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 0.0 110.36 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.732 HD12 ' HB3' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -40.4 -33.5 0.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.366 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 1.106 ' CG ' HD13 ' A' ' 55' ' ' LEU . 65.7 t90 -72.31 -55.58 6.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 107.975 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.776 HD21 HG22 ' A' ' 41' ' ' ILE . 52.6 mt -51.0 -31.92 19.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.406 1.066 . . . . 0.0 109.238 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.69 -60.87 3.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.243 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.591 ' HB3' ' CD2' ' A' ' 71' ' ' HIS . . . -56.52 -29.37 61.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -76.58 -18.3 58.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.153 . . . . 0.0 111.088 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -109.14 3.95 22.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.28 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.796 ' HB3' ' OE1' ' A' ' 74' ' ' GLN . . . -95.8 -1.87 48.76 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.258 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 83.6 mt -69.02 147.72 97.75 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.368 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -7.48 19.22 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.467 1.772 . . . . 0.0 111.006 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -106.13 -52.32 0.79 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.47 1.106 . . . . 0.0 111.05 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 46.7 t -40.62 -60.57 1.11 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.447 0.733 . . . . 0.0 109.992 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -104.82 118.38 36.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -173.58 176.99 2.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.4 t70 177.15 96.97 0.12 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.605 ' HG2' ' HB2' ' A' ' 134' ' ' ALA . 18.2 Cg_endo -74.96 160.73 39.92 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.5 1.789 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.41 -32.18 64.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.976 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.767 ' HA ' HD12 ' A' ' 136' ' ' ILE . 18.1 p-90 -74.63 -10.58 59.68 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.605 ' HB2' ' HG2' ' A' ' 131' ' ' PRO . . . -66.18 -11.06 47.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 109.238 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 26.4 t -133.59 33.51 3.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.005 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.767 HD12 ' HA ' ' A' ' 133' ' ' TRP . 60.7 mt -118.42 118.17 57.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.573 1.171 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.23 166.28 23.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' GLN . . . . . 0.548 ' HG3' ' CD1' ' A' ' 144' ' ' TYR . 10.7 tm0? -87.8 113.27 23.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -70.46 154.13 52.21 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.557 HD21 ' HB2' ' A' ' 180' ' ' GLU . 2.0 tm? -61.82 -39.48 91.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 0.763 . . . . 0.0 109.355 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -112.02 40.19 2.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 110.283 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -125.29 158.04 65.36 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.32 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 143' ' ' PRO . . . . . 0.4 ' HB2' ' HB3' ' A' ' 146' ' ' ALA . 18.1 Cg_endo -75.1 96.19 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.502 1.79 . . . . 0.0 110.972 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' TYR . . . . . 0.959 ' O ' HG23 ' A' ' 148' ' ' VAL . 4.1 t80 -60.63 -44.39 96.41 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.444 1.09 . . . . 0.0 111.002 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' HIS . . . . . 0.494 ' HA ' ' CD1' ' A' ' 199' ' ' LEU . 0.0 OUTLIER -55.08 -57.82 10.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 109.501 -179.915 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.4 ' HB3' ' HB2' ' A' ' 143' ' ' PRO . . . -56.01 -47.42 77.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.58 -43.56 62.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 111.062 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.959 HG23 ' O ' ' A' ' 144' ' ' TYR . 47.8 t -57.25 -44.31 83.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.616 1.197 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -56.79 -58.34 8.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.327 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.88 -47.87 79.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.36 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.602 ' O ' HD12 ' A' ' 155' ' ' LEU . 1.1 mt -43.71 -42.31 5.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -63.63 -47.98 79.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 4.4 mt -62.64 -69.36 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.446 1.091 . . . . 0.0 109.335 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -41.31 -31.71 0.25 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 0.602 HD12 ' O ' ' A' ' 151' ' ' LEU . 7.1 mt -69.69 -60.77 2.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -50.15 -22.65 1.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -75.07 -29.81 60.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 158' ' ' GLY . . . . . 0.591 ' O ' HD22 ' A' ' 159' ' ' LEU . . . -129.76 41.09 1.59 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.538 1.148 . . . . 0.0 111.05 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.591 HD22 ' O ' ' A' ' 158' ' ' GLY . 0.6 OUTLIER -133.49 119.73 15.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.428 0.722 . . . . 0.0 109.295 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -170.38 0.77 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.593 1.838 . . . . 0.0 111.059 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -91.0 -30.45 16.8 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.459 1.099 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -99.15 48.92 1.26 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.536 1.147 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 163' ' ' THR . . . . . 0.496 HG23 ' HD2' ' A' ' 164' ' ' PRO . 1.3 m -149.23 140.23 14.05 Favored Pre-proline 0 C--N 1.324 -0.541 0 O-C-N 124.489 0.758 . . . . 0.0 110.427 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 164' ' ' PRO . . . . . 0.496 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.2 Cg_endo -75.04 131.69 14.53 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 165' ' ' LYS . . . . . 0.585 ' HB2' HD12 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -120.67 -39.97 2.7 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.575 1.172 . . . . 0.0 109.326 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 166' ' ' ASP . . . . . 0.52 ' CB ' ' HD3' ' A' ' 167' ' ' PRO . 0.4 OUTLIER -40.99 -53.64 6.07 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.259 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 167' ' ' PRO . . . . . 0.52 ' HD3' ' CB ' ' A' ' 166' ' ' ASP . 18.2 Cg_endo -74.97 -45.9 0.26 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.584 1.833 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 168' ' ' ILE . . . . . 0.485 HG22 ' N ' ' A' ' 169' ' ' LEU . 0.0 OUTLIER -49.61 -52.83 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 169' ' ' LEU . . . . . 0.485 ' N ' HG22 ' A' ' 168' ' ' ILE . 47.9 tp -52.36 -54.24 34.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 170' ' ' ARG . . . . . 0.49 ' HG3' HD13 ' A' ' 195' ' ' LEU . 0.6 OUTLIER -61.96 -14.62 36.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.3 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 171' ' ' SER . . . . . 0.52 ' O ' ' CB ' ' A' ' 175' ' ' SER . 0.3 OUTLIER -83.46 -35.24 25.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.58 1.175 . . . . 0.0 110.013 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.575 HD21 ' CE3' ' A' ' 133' ' ' TRP . 1.5 mt -84.51 -16.02 43.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 173' ' ' ALA . . . . . 0.539 ' O ' ' HB2' ' A' ' 177' ' ' ALA . . . -94.22 -29.35 15.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 174' ' ' TYR . . . . . 0.732 ' CD2' HD13 ' A' ' 185' ' ' LEU . 12.0 t80 -110.54 -64.49 1.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.986 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 175' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 171' ' ' SER . 0.1 OUTLIER -52.7 -20.74 3.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 110.029 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -126.06 60.59 1.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 177' ' ' ALA . . . . . 0.539 ' HB2' ' O ' ' A' ' 173' ' ' ALA . . . -132.53 143.14 49.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 178' ' ' ASN . . . . . 0.516 ' OD1' HD23 ' A' ' 140' ' ' LEU . 0.3 OUTLIER -54.15 -172.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.087 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -72.82 -68.52 0.48 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 180' ' ' GLU . . . . . 0.557 ' HB2' HD21 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -43.09 -34.91 1.15 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.338 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 181' ' ' CYS . . . . . 0.471 ' SG ' ' HB1' ' A' ' 177' ' ' ALA . 15.6 t -65.92 -67.03 0.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 108.328 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -53.28 -41.34 65.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.338 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.69 -37.13 85.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.252 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.697 ' C ' HD23 ' A' ' 184' ' ' LEU . 3.6 tt -61.09 -60.86 3.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.59 1.181 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 185' ' ' LEU . . . . . 0.732 HD13 ' CD2' ' A' ' 174' ' ' TYR . 6.5 mt -42.79 -42.2 3.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 186' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.37 -59.55 3.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.273 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -50.2 -39.5 44.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 188' ' ' ARG . . . . . 0.425 ' NH1' ' HA ' ' A' ' 188' ' ' ARG . 0.0 OUTLIER -54.46 -53.66 51.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.219 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 114.12 34.33 1.66 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.498 1.123 . . . . 0.0 110.984 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 190' ' ' HIS . . . . . 0.488 ' O ' ' ND1' ' A' ' 190' ' ' HIS . 0.0 OUTLIER -167.54 118.3 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 0.798 . . . . 0.0 109.56 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 1.9 p -120.97 -52.04 2.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 110.386 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -88.6 45.94 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 193' ' ' SER . . . . . 0.514 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER -109.44 178.93 0.92 Allowed Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.46 1.1 . . . . 0.0 110.03 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 194' ' ' PRO . . . . . 0.514 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.1 Cg_endo -75.06 154.75 42.43 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.581 1.832 . . . . 0.0 110.935 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 195' ' ' LEU . . . . . 0.49 HD13 ' HG3' ' A' ' 170' ' ' ARG . 3.3 tp -50.58 -48.3 57.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.538 1.149 . . . . 0.0 109.357 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -43.51 -35.81 3.02 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.525 1.141 . . . . 0.0 111.021 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.19 -38.44 27.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 0.79 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 198' ' ' MET . . . . . 0.556 ' SD ' HD21 ' A' ' 185' ' ' LEU . 17.1 mmm -61.22 -39.17 89.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 110.96 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 199' ' ' LEU . . . . . 0.849 HD21 HG11 ' A' ' 148' ' ' VAL . 3.5 mm? -75.28 -30.14 60.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.404 1.065 . . . . 0.0 109.352 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 33.8 ttm180 -79.77 -6.54 57.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -95.99 -33.77 12.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.137 . . . . 0.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 202' ' ' CYS . . . . . . . . . . . . . 29.7 p -90.76 -16.78 27.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.165 . . . . 0.0 108.323 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -48.42 -23.19 0.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.427 1.079 . . . . 0.0 110.325 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 204' ' ' THR . . . . . 0.475 ' OG1' HG22 ' A' ' 206' ' ' THR . 0.1 OUTLIER -116.91 -48.96 2.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.457 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 205' ' ' TRP . . . . . 0.519 ' HA ' HD11 ' A' ' 184' ' ' LEU . 4.7 t90 39.73 58.04 2.13 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 206' ' ' THR . . . . . 0.475 HG22 ' OG1' ' A' ' 204' ' ' THR . 6.4 t -174.83 143.0 0.77 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.434 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 207' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 206' ' ' THR . 18.3 Cg_endo -75.05 167.2 27.51 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.386 1.73 . . . . 0.0 111.028 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 208' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.98 74.1 1.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.347 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.63 168.71 9.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.57 122.85 48.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 22.8 m -57.45 132.83 54.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.41 1.069 . . . . 0.0 110.416 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.39 158.1 16.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 213' ' ' VAL . . . . . . . . . . . . . 7.1 p -130.89 124.96 57.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.533 1.146 . . . . 0.0 109.35 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 214' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -137.5 156.86 47.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.575 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 16.6 p80 -87.95 129.03 35.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 109.623 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 19.6 m-70 -98.57 168.98 9.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.152 . . . . 0.0 109.603 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -66.32 132.46 48.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.63 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 76.1 p -108.1 146.29 32.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.052 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 73.5 m -131.59 123.25 27.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.009 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -53.74 -95.89 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.518 1.136 . . . . 0.0 111.024 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -134.35 102.28 5.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 0.753 . . . . 0.0 109.591 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.633 HG22 ' O ' ' A' ' 10' ' ' ILE . 68.8 mt -128.87 67.33 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 60.41 121.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 110.276 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -66.62 -154.05 0.28 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.472 1.107 . . . . 0.0 111.026 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -177.93 46.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 0.766 . . . . 0.0 110.306 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.3 m170 47.84 49.47 16.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.55 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.59 ' HE3' HD23 ' A' ' 20' ' ' LEU . 1.8 tpt 58.39 95.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -96.01 170.37 9.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 110.33 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.8 tpt -54.12 -39.32 66.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 111.014 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.7 ttpt -59.34 -45.35 91.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -57.18 -55.94 28.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.772 ' HA ' HD12 ' A' ' 23' ' ' ILE . 26.0 mt -51.67 -40.12 59.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.245 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -60.99 -54.92 39.05 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.47 1.106 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.34 -39.83 64.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.772 HD12 ' HA ' ' A' ' 20' ' ' LEU . 66.9 mt -57.37 -62.46 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.4 tttm -42.07 -32.33 0.45 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -72.38 -72.3 0.24 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 110.327 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.641 ' HG3' HG21 ' A' ' 40' ' ' THR . 8.8 pt-20 -45.5 -25.62 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 110.325 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.1 t -76.82 -46.86 29.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.575 1.172 . . . . 0.0 109.334 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.5 t -46.86 -39.75 12.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.933 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -59.66 -38.39 81.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.472 ' CB ' ' HB3' ' A' ' 36' ' ' GLN . . . -68.96 177.37 2.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.436 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -129.22 162.04 54.8 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.436 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.3 Cg_endo -75.06 63.27 6.03 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.452 1.764 . . . . 0.0 110.97 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 162.87 -33.04 0.3 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.17 142.23 92.54 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.464 0.743 . . . . 0.0 110.005 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 50.96 2.67 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.497 1.788 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.472 ' HB3' ' CB ' ' A' ' 30' ' ' ALA . 13.2 tp60 -120.89 -38.91 2.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.52 ' CE1' HD11 ' A' ' 41' ' ' ILE . 2.7 t80 -64.47 -64.72 0.81 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.449 1.093 . . . . 0.0 110.973 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 10.1 tpt -49.13 -46.4 44.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.102 . . . . 0.0 110.993 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -52.15 -43.71 64.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.108 . . . . 0.0 110.295 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.641 HG21 ' HG3' ' A' ' 26' ' ' GLU . 1.2 m -61.6 -27.17 68.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.357 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.697 HG22 HD21 ' A' ' 118' ' ' LEU . 5.7 mm -74.77 -33.07 29.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.533 ' HD2' HD13 ' A' ' 118' ' ' LEU . 17.9 mmm-85 -79.23 -25.3 42.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.375 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.25 -38.62 35.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.426 1.079 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.81 -41.04 79.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.426 1.079 . . . . 0.0 109.314 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.573 HG11 HD11 ' A' ' 118' ' ' LEU . 0.5 OUTLIER -68.86 -33.59 60.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.425 1.078 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -89.04 -0.45 57.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.592 1.183 . . . . 0.0 110.312 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -89.87 -70.33 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 0.0 110.334 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.579 ' CE1' ' SD ' ' A' ' 15' ' ' MET . 3.9 p90 -114.52 -23.8 9.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.603 1.189 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 72.61 93.21 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.402 ' HB2' ' CB ' ' A' ' 54' ' ' ASP . 18.4 Cg_endo -75.03 131.11 13.89 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.533 1.807 . . . . 0.0 111.048 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.444 ' N ' ' OD2' ' A' ' 54' ' ' ASP . 7.2 p -57.32 -168.23 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 110.48 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.01 -47.46 51.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.419 ' HG2' ' N ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -61.53 -31.38 71.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.113 . . . . 0.0 109.252 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.444 ' OD2' ' N ' ' A' ' 51' ' ' THR . 93.8 m-20 -66.96 -41.77 86.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 1.007 HD13 ' CG ' ' A' ' 117' ' ' TRP . 37.4 mt -61.65 -40.72 95.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.37 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.413 ' HG3' ' N ' ' A' ' 57' ' ' ASP . 0.1 OUTLIER -57.23 -53.19 60.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.413 ' N ' ' HG3' ' A' ' 56' ' ' GLN . 66.6 t0 -64.51 -38.49 91.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.485 ' HB2' HD21 ' A' ' 20' ' ' LEU . 16.4 tp -64.57 -24.39 67.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.255 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.507 HD12 ' HB2' ' A' ' 63' ' ' CYS . 19.8 tp -70.98 -54.45 11.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.224 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -6.92 32.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 110.305 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -81.5 -54.21 5.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.972 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.8 mt -106.83 -61.56 1.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.507 ' HB2' HD12 ' A' ' 59' ' ' LEU . 4.0 m -52.23 117.0 2.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 108.28 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.43 ' O ' ' CB ' ' A' ' 68' ' ' ALA . 0.5 OUTLIER -57.46 -179.82 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 110.003 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.46 -50.96 67.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 109.995 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.598 HD11 HD11 ' A' ' 70' ' ' LEU . 3.7 tp -64.74 -55.89 17.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.561 HG13 HD13 ' A' ' 124' ' ' LEU . 2.4 t -51.57 -47.32 37.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 64' ' ' SER . . . -54.46 -39.59 67.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.352 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.0 m -63.16 -60.33 3.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.998 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.598 HD11 HD11 ' A' ' 66' ' ' LEU . 6.6 mt -51.08 -43.04 60.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.596 1.185 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.738 ' CE1' ' HB3' ' A' ' 120' ' ' ALA . 8.7 t-80 -60.49 -39.0 86.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.614 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -25.28 68.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.552 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -74.41 -54.68 7.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.271 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.493 ' O ' HD13 ' A' ' 78' ' ' LEU . 2.9 mt-30 -53.72 -22.38 9.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.427 1.08 . . . . 0.0 110.27 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.981 ' CD1' HD21 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -82.09 -60.28 2.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.376 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -40.51 -37.08 0.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.02 -45.53 26.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.008 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.703 ' HB3' HD12 ' A' ' 116' ' ' LEU . 1.3 mp -56.37 -59.91 4.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.363 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.588 HG12 HD22 ' A' ' 97' ' ' LEU . 1.4 mt -48.26 -50.58 11.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.415 1.072 . . . . 0.0 109.33 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.421 ' HA ' ' CG ' ' A' ' 83' ' ' GLU . 3.9 t -46.75 -32.14 3.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.96 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -69.55 -42.68 74.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.439 1.087 . . . . 0.0 110.271 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.905 ' HB1' HG12 ' A' ' 87' ' ' ILE . . . -67.0 -64.65 0.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.264 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.421 ' CG ' ' HA ' ' A' ' 80' ' ' SER . 0.0 OUTLIER -48.3 -27.37 2.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.341 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.2 m -69.39 -40.96 77.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.429 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -83.45 0.1 47.75 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.5 1.125 . . . . 0.0 110.267 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 84.58 -8.15 70.05 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.905 HG12 ' HB1' ' A' ' 82' ' ' ALA . 84.7 mt 60.14 152.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 109.34 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.725 HG23 ' H ' ' A' ' 89' ' ' GLY . 0.0 OUTLIER -43.1 -65.96 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.373 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.725 ' H ' HG23 ' A' ' 88' ' ' THR . . . -146.25 57.46 0.51 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.497 ' CE1' HD12 ' A' ' 97' ' ' LEU . 58.2 t80 -79.35 158.91 27.35 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.505 0.768 . . . . 0.0 111.027 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -113.72 93.91 30.58 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.26 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.419 ' HA ' ' CE2' ' A' ' 90' ' ' TYR . 18.2 Cg_endo -75.04 -30.06 7.5 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.563 1.823 . . . . 0.0 110.963 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.803 HD22 ' C ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -56.71 -29.0 61.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.729 ' N ' HD13 ' A' ' 93' ' ' LEU . . . -72.67 -63.36 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.238 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.525 ' N ' ' CD ' ' A' ' 96' ' ' PRO . . . 122.21 -49.93 0.86 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.509 1.131 . . . . 0.0 110.954 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.525 ' CD ' ' N ' ' A' ' 95' ' ' GLY . 18.3 Cg_endo -75.0 163.14 35.92 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.478 1.778 . . . . 0.0 110.978 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.588 HD22 HG12 ' A' ' 79' ' ' ILE . 2.5 tp -121.04 -50.29 2.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -22.62 66.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.143 . . . . 0.0 110.335 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.492 ' CG2' ' HB2' ' A' ' 96' ' ' PRO . 61.4 t -69.87 -58.62 5.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.474 ' OE1' ' CD1' ' A' ' 90' ' ' TYR . 7.5 pt20 -70.17 -21.84 63.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.259 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -75.85 -4.41 40.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -97.55 -1.54 43.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.389 1.055 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.417 ' OD1' ' N ' ' A' ' 103' ' ' ASN . 0.7 OUTLIER -94.67 142.55 24.89 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -28.46 9.11 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.471 1.774 . . . . 0.0 111.022 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -50.72 -49.14 58.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.581 1.176 . . . . 0.0 110.316 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.4 ' O ' ' OE1' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -94.03 40.2 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 110.284 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -47.76 -23.71 0.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.332 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.04 -58.13 13.06 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.894 HD11 HG21 ' A' ' 87' ' ' ILE . 0.5 OUTLIER -58.55 -43.88 89.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 0.748 . . . . 0.0 109.335 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -45.34 -43.93 11.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.452 ' O ' ' CG ' ' A' ' 114' ' ' GLN . 0.5 OUTLIER -65.46 -52.58 52.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 110.379 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -45.22 -31.15 1.4 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.451 ' CD1' HD12 ' A' ' 55' ' ' LEU . 1.1 t80 -74.52 -41.46 60.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.494 ' HG3' ' N ' ' A' ' 115' ' ' GLN . 0.9 OUTLIER -61.04 -24.6 66.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.494 ' N ' ' HG3' ' A' ' 114' ' ' GLN . 0.0 OUTLIER -90.06 -59.05 2.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.354 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 1.037 HD23 ' N ' ' A' ' 117' ' ' TRP . 0.0 OUTLIER -52.08 -32.58 35.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.596 1.185 . . . . 0.0 109.318 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 1.037 ' N ' HD23 ' A' ' 116' ' ' LEU . 73.8 t90 -73.34 -66.67 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 108.05 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.697 HD21 HG22 ' A' ' 41' ' ' ILE . 21.0 mt -42.51 -34.5 0.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.59 -63.93 1.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.738 ' HB3' ' CE1' ' A' ' 71' ' ' HIS . . . -55.11 -24.89 28.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.713 ' CE2' ' CH2' ' A' ' 117' ' ' TRP . 2.1 t80 -75.13 -19.5 59.87 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -112.36 3.29 16.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.226 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -92.03 -3.33 55.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.561 HD13 HG13 ' A' ' 67' ' ' VAL . 76.6 mt -72.94 152.74 90.98 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -9.24 20.6 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.43 1.753 . . . . 0.0 111.0 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -104.39 -38.8 2.54 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.546 1.154 . . . . 0.0 110.97 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.541 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 46.7 t -63.32 103.78 0.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 0.783 . . . . 0.0 109.956 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.541 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 74.07 97.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.213 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.33 -176.56 5.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -123.73 165.24 24.31 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.829 ' HG2' ' HB2' ' A' ' 134' ' ' ALA . 18.4 Cg_endo -74.99 142.82 28.34 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.456 1.766 . . . . 0.0 110.998 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.74 -23.01 56.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.036 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.615 ' HA ' HD12 ' A' ' 136' ' ' ILE . 38.2 p-90 -76.38 -20.93 56.68 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.559 1.162 . . . . 0.0 107.993 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.829 ' HB2' ' HG2' ' A' ' 131' ' ' PRO . . . -68.28 -9.21 45.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.385 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.36 27.4 8.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 0.0 109.956 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.615 HD12 ' HA ' ' A' ' 133' ' ' TRP . 5.3 mt -121.73 120.67 62.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 109.255 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.547 HD23 ' CB ' ' A' ' 176' ' ' ASN . 0.8 OUTLIER -135.77 165.9 24.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 109.363 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 138' ' ' GLN . . . . . 0.497 ' NE2' ' CH2' ' A' ' 205' ' ' TRP . 1.5 tt0 -104.07 114.21 28.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.319 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -72.44 166.96 53.71 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.449 1.093 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.743 HD13 ' O ' ' A' ' 140' ' ' LEU . 1.7 tm? -62.48 -40.82 97.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 0.75 . . . . 0.0 109.326 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -109.81 39.96 2.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -115.02 150.51 44.33 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 110.358 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' PRO . . . . . 0.622 ' HB2' ' HB3' ' A' ' 146' ' ' ALA . 18.4 Cg_endo -75.02 92.76 0.97 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.568 1.825 . . . . 0.0 111.024 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 144' ' ' TYR . . . . . 0.648 ' O ' HG23 ' A' ' 148' ' ' VAL . 15.3 t80 -57.66 -54.64 44.63 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.409 1.068 . . . . 0.0 110.986 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -48.3 -49.55 33.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.603 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.622 ' HB3' ' HB2' ' A' ' 143' ' ' PRO . . . -65.11 -36.41 84.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 147' ' ' PHE . . . . . 0.406 ' CZ ' ' O ' ' A' ' 137' ' ' LEU . 0.1 OUTLIER -67.66 -41.86 83.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.73 HG11 HD21 ' A' ' 199' ' ' LEU . 91.5 t -55.55 -45.75 78.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.362 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.09 -56.77 17.51 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 153' ' ' ILE . 1.0 OUTLIER -55.89 -56.37 21.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.265 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.821 ' O ' HD12 ' A' ' 155' ' ' LEU . 0.3 OUTLIER -39.87 -36.86 0.49 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.42 1.075 . . . . 0.0 109.338 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 152' ' ' ASN . . . . . 0.493 ' OD1' HD22 ' A' ' 169' ' ' LEU . 1.7 t30 -65.88 -52.46 49.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.442 ' N ' ' O ' ' A' ' 150' ' ' ARG . 3.2 mt -64.4 -66.88 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 O-C-N 124.593 1.183 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 154' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 153' ' ' ILE . . . -38.47 -31.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 0.821 HD12 ' O ' ' A' ' 151' ' ' LEU . 1.8 mt -68.22 -61.81 1.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.408 1.068 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -50.96 -22.23 2.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.343 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -67.12 -24.37 65.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.595 1.184 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -145.41 39.08 1.19 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.476 1.11 . . . . 0.0 110.944 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.708 HD12 ' HB2' ' A' ' 165' ' ' LYS . 0.5 OUTLIER -123.48 109.95 30.57 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.52 0.776 . . . . 0.0 109.31 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 147.94 34.48 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.502 1.79 . . . . 0.0 111.021 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -12.84 24.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.355 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -81.24 -8.34 87.36 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.472 1.108 . . . . 0.0 110.959 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 163' ' ' THR . . . . . 0.516 HG23 ' HD2' ' A' ' 164' ' ' PRO . 1.2 m -129.23 141.42 41.74 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.468 0.746 . . . . 0.0 110.343 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 164' ' ' PRO . . . . . 0.516 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.1 Cg_endo -75.01 138.02 22.47 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.496 1.787 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 165' ' ' LYS . . . . . 0.708 ' HB2' HD12 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -113.04 -32.37 6.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 166' ' ' ASP . . . . . 0.52 ' N ' ' CD ' ' A' ' 167' ' ' PRO . 0.4 OUTLIER -43.74 -51.21 17.15 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 167' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 166' ' ' ASP . 18.2 Cg_endo -75.01 -54.45 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.446 1.761 . . . . 0.0 110.986 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 168' ' ' ILE . . . . . 0.759 HG23 HD12 ' A' ' 172' ' ' LEU . 0.0 OUTLIER -41.41 -34.67 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 169' ' ' LEU . . . . . 0.493 HD22 ' OD1' ' A' ' 152' ' ' ASN . 15.8 tp -62.25 -65.17 0.73 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.155 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 170' ' ' ARG . . . . . 0.591 ' HG3' HD13 ' A' ' 195' ' ' LEU . 5.6 mtp180 -55.09 -33.15 62.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.324 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 171' ' ' SER . . . . . 0.421 ' O ' ' CB ' ' A' ' 175' ' ' SER . 0.1 OUTLIER -74.8 -19.66 60.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.034 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.759 HD12 HG23 ' A' ' 168' ' ' ILE . 3.1 mt -87.8 -68.58 0.75 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.463 1.102 . . . . 0.0 109.354 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 173' ' ' ALA . . . . . 0.965 ' O ' ' HB2' ' A' ' 177' ' ' ALA . . . -42.71 -32.99 0.65 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -81.5 -59.43 2.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.598 1.186 . . . . 0.0 110.981 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 175' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 171' ' ' SER . 36.8 m -50.42 -22.32 1.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.977 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 176' ' ' ASN . . . . . 0.547 ' CB ' HD23 ' A' ' 137' ' ' LEU . 25.4 p30 -133.51 56.46 1.85 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 177' ' ' ALA . . . . . 0.965 ' HB2' ' O ' ' A' ' 173' ' ' ALA . . . -114.07 61.43 0.66 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 178' ' ' ASN . . . . . 0.511 ' OD1' ' CD2' ' A' ' 140' ' ' LEU . 1.5 t-20 39.3 -158.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.8 -15.4 14.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 0.0 109.362 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 180' ' ' GLU . . . . . 0.413 ' HB2' ' CD2' ' A' ' 140' ' ' LEU . 0.1 OUTLIER -96.04 -41.43 8.75 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.509 1.13 . . . . 0.0 110.347 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 181' ' ' CYS . . . . . 0.537 ' SG ' ' HB1' ' A' ' 177' ' ' ALA . 29.2 t -64.66 -55.62 18.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.392 1.058 . . . . 0.0 108.295 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -49.99 -41.79 47.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.277 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 2.9 tmmm? -64.73 -53.13 51.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.82 HD23 ' O ' ' A' ' 184' ' ' LEU . 4.3 tt -44.49 -38.72 4.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.351 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 3.0 mt -61.51 -63.79 1.16 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.542 1.151 . . . . 0.0 109.34 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 186' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.7 -51.78 46.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 110.311 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -57.99 -47.13 83.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 188' ' ' ARG . . . . . 0.408 ' HD2' ' HB1' ' A' ' 201' ' ' ALA . 1.3 tpm_? -51.24 -39.8 57.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.4 1.062 . . . . 0.0 110.267 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 100.97 48.17 1.5 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 190' ' ' HIS . . . . . 0.575 ' CE1' ' HB3' ' A' ' 197' ' ' ASP . 0.0 OUTLIER -179.52 114.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 0.739 . . . . 0.0 109.542 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 1.2 p -121.23 -50.26 2.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.427 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 192' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 193' ' ' SER . 0.7 OUTLIER -72.98 -21.75 60.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.356 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 193' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 192' ' ' ASN . 0.1 OUTLIER -42.74 165.15 0.11 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.929 -179.884 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 163.98 34.13 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.492 1.785 . . . . 0.0 110.918 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 195' ' ' LEU . . . . . 0.891 HD12 ' SD ' ' A' ' 198' ' ' MET . 1.9 tp -51.02 -44.61 61.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -42.53 -41.63 4.25 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 197' ' ' ASP . . . . . 0.575 ' HB3' ' CE1' ' A' ' 190' ' ' HIS . 0.3 OUTLIER -78.25 -41.25 34.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 0.741 . . . . 0.0 109.398 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 198' ' ' MET . . . . . 0.891 ' SD ' HD12 ' A' ' 195' ' ' LEU . 75.1 mtp -52.99 -51.57 61.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 199' ' ' LEU . . . . . 0.73 HD21 HG11 ' A' ' 148' ' ' VAL . 2.1 mm? -66.07 -32.23 73.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.94 -9.04 58.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ALA . . . . . 0.408 ' HB1' ' HD2' ' A' ' 188' ' ' ARG . . . -99.82 -43.77 6.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.112 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 202' ' ' CYS . . . . . . . . . . . . . 12.5 p -78.06 -9.52 59.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 108.277 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 203' ' ' GLN . . . . . 0.431 ' HG3' ' N ' ' A' ' 204' ' ' THR . 15.0 pt20 -53.03 -44.94 67.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.468 1.105 . . . . 0.0 110.27 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 204' ' ' THR . . . . . 0.431 ' N ' ' HG3' ' A' ' 203' ' ' GLN . 0.1 OUTLIER -79.74 -9.9 59.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.55 1.156 . . . . 0.0 110.431 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 205' ' ' TRP . . . . . 0.497 ' CH2' ' NE2' ' A' ' 138' ' ' GLN . 7.6 t90 -71.5 60.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.592 1.182 . . . . 0.0 107.915 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 206' ' ' THR . . . . . 0.459 ' O ' HG23 ' A' ' 206' ' ' THR . 14.9 t -173.76 114.06 0.33 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 110.371 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 136.73 20.7 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.522 1.801 . . . . 0.0 110.97 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 208' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 56.1 172.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 109.313 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . 1.1 t70 56.84 100.57 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 109.355 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 8.2 mttm -120.98 144.26 48.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 5.4 m -97.03 99.8 11.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.38 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.9 91.72 0.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 213' ' ' VAL . . . . . . . . . . . . . 3.0 p -106.66 -24.87 3.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 214' ' ' LEU . . . . . . . . . . . . . 4.1 tp . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 179.956 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -129.74 -56.93 1.13 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 109.565 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -45.14 -62.66 1.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.594 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.7 t60 74.65 -62.49 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.715 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 75.6 -62.57 0.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.56 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.4 t 62.1 145.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.98 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -161.03 131.59 5.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.963 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 157.64 95.41 0.11 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.507 1.129 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.412 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.4 OUTLIER -129.55 68.15 1.43 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.587 0.816 . . . . 0.0 109.566 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.412 ' C ' ' O ' ' A' ' 9' ' ' HIS . 2.8 pt 39.43 -154.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.436 1.085 . . . . 0.0 109.252 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -158.58 136.08 10.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 0.0 110.311 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -155.55 67.97 0.3 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.528 1.142 . . . . 0.0 111.043 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -147.25 142.27 27.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 0.777 . . . . 0.0 110.272 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.485 ' CE1' ' O ' ' A' ' 49' ' ' ASP . 2.1 p80 -120.16 46.9 1.86 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.467 1.105 . . . . 0.0 109.549 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.596 ' SD ' ' CZ ' ' A' ' 48' ' ' PHE . 1.2 tpt 177.62 84.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 111.055 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.7 pm0 -96.56 166.45 11.67 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.385 1.053 . . . . 0.0 110.281 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.408 ' O ' ' N ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -48.15 -40.02 22.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.969 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.8 ttpt -50.93 -48.04 60.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.25 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.437 ' OD2' ' CE2' ' A' ' 48' ' ' PHE . 4.5 m-20 -60.17 -57.13 14.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.666 ' HA ' HD12 ' A' ' 23' ' ' ILE . 11.3 mt -55.98 -25.55 44.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.313 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 17' ' ' MET . 0.3 OUTLIER -74.47 -54.59 7.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.421 1.076 . . . . 0.0 110.258 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.03 -36.58 70.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.255 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.707 HG22 HD11 ' A' ' 62' ' ' LEU . 43.0 mt -60.87 -47.63 92.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.8 ttpp -54.02 -29.85 45.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -73.2 -68.53 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.638 ' CD ' HG23 ' A' ' 40' ' ' THR . 4.0 pt-20 -50.19 -24.57 2.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.342 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.912 HG23 HG21 ' A' ' 40' ' ' THR . 5.0 t -81.12 -47.8 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.1 t -47.1 -26.33 1.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.928 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.83 -40.08 66.05 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.578 1.174 . . . . 0.0 110.343 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.465 ' CB ' ' HB3' ' A' ' 36' ' ' GLN . . . -46.46 167.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.351 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.58 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -109.86 168.0 8.29 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.58 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.3 Cg_endo -75.0 110.24 3.08 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.501 1.79 . . . . 0.0 111.067 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 72.71 49.08 19.55 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.562 1.164 . . . . 0.0 110.991 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 35.6 m -134.6 154.22 79.47 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.588 0.816 . . . . 0.0 110.042 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 51.05 2.69 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.576 1.83 . . . . 0.0 111.025 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.465 ' HB3' ' CB ' ' A' ' 30' ' ' ALA . 1.0 OUTLIER -121.25 -52.61 2.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.41 1.069 . . . . 0.0 110.333 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.472 ' CE1' HD11 ' A' ' 41' ' ' ILE . 2.2 t80 -62.47 -60.59 3.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.405 ' CE ' HD22 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -49.35 -39.54 32.18 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.479 1.112 . . . . 0.0 111.023 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -57.55 -43.45 84.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.087 . . . . 0.0 110.304 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.912 HG21 HG23 ' A' ' 27' ' ' VAL . 1.1 m -62.81 -26.26 68.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.15 . . . . 0.0 110.391 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.708 HG22 HD21 ' A' ' 118' ' ' LEU . 18.8 mm -68.45 -53.0 31.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.417 1.073 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.474 ' HD2' HD13 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -61.34 -27.73 68.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.316 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.405 ' O ' ' CG ' ' A' ' 47' ' ' GLN . 0.2 OUTLIER -67.82 -43.39 79.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.76 -38.38 83.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -67.59 -32.86 58.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 109.356 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -89.18 -5.61 57.57 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.462 1.101 . . . . 0.0 110.299 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.405 ' CG ' ' O ' ' A' ' 43' ' ' LEU . 3.2 mm-40 -85.04 -75.33 0.36 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.596 ' CZ ' ' SD ' ' A' ' 15' ' ' MET . 3.5 p90 -114.34 -10.45 12.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 111.021 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.485 ' O ' ' CE1' ' A' ' 14' ' ' HIS . 10.9 t0 59.91 94.29 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.09 . . . . 0.0 109.285 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 159.6 41.37 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.502 1.791 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 61.2 p -94.58 -174.93 3.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.581 1.175 . . . . 0.0 110.406 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.81 -50.56 73.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.429 ' HD3' ' N ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -57.68 -37.31 73.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.429 ' N ' ' HD3' ' A' ' 53' ' ' LYS . 79.9 m-20 -70.24 -38.4 75.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.423 1.077 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.998 HD13 ' CG ' ' A' ' 117' ' ' TRP . 21.8 mt -66.63 -41.25 88.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.33 -55.85 28.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.095 . . . . 0.0 110.314 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -62.37 -39.74 94.16 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.4 HD12 ' O ' ' A' ' 58' ' ' LEU . 13.0 tp -59.31 -36.18 75.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.527 HD13 ' HE1' ' A' ' 121' ' ' PHE . 24.9 tp -65.94 -32.43 73.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.46 2.29 56.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.599 1.187 . . . . 0.0 110.255 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.595 ' CE1' ' O ' ' A' ' 20' ' ' LEU . 1.6 t80 -98.06 -49.98 4.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 111.055 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.707 HD11 HG22 ' A' ' 23' ' ' ILE . 42.9 mt -105.18 -59.8 1.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.454 ' CB ' HD12 ' A' ' 59' ' ' LEU . 1.7 m -55.68 137.01 50.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.105 . . . . 0.0 108.314 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.55 176.51 9.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 110.048 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 9.8 m -60.49 -61.03 2.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.999 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.463 ' O ' HD12 ' A' ' 66' ' ' LEU . 5.5 tp -51.94 -44.91 64.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.343 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.3 t -61.94 -58.19 8.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -45.27 -35.68 3.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.3 m -69.9 -50.87 38.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.021 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.44 ' O ' ' NE2' ' A' ' 74' ' ' GLN . 19.6 mt -55.77 -48.36 75.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -38.14 81.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 109.606 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -57.68 -34.5 69.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.647 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -67.54 -46.52 72.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.274 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.476 ' OE1' ' HB3' ' A' ' 123' ' ' ALA . 3.9 mt-30 -65.19 -51.16 62.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 110.231 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.716 HD23 ' HB2' ' A' ' 120' ' ' ALA . 0.2 OUTLIER -53.03 -34.68 57.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.359 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -60.26 -62.44 1.87 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.67 -33.47 68.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.069 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.932 HD23 ' HG ' ' A' ' 116' ' ' LEU . 1.4 tp -62.57 -52.04 64.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.395 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.546 ' CD1' HD13 ' A' ' 75' ' ' LEU . 0.9 OUTLIER -57.46 -61.33 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.28 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.439 ' O ' ' CB ' ' A' ' 84' ' ' THR . 5.5 m -45.36 -27.11 0.63 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.957 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -73.31 -43.06 61.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.374 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.887 ' HB1' HG12 ' A' ' 87' ' ' ILE . . . -62.71 -58.75 6.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.578 1.173 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -55.44 -39.47 70.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.276 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.439 ' CB ' ' O ' ' A' ' 80' ' ' SER . 3.2 m -64.4 -48.72 74.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 110.418 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.63 0.22 21.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 110.27 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 72.2 94.25 0.08 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.547 1.155 . . . . 0.0 111.021 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.887 HG12 ' HB1' ' A' ' 82' ' ' ALA . 48.1 mt -60.8 166.58 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.553 0.796 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.514 ' N ' HG22 ' A' ' 87' ' ' ILE . 65.5 p -47.02 -96.64 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 110.393 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.449 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -121.83 59.65 0.57 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.491 1.119 . . . . 0.0 110.939 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -81.82 147.46 29.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 111.022 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.548 ' OD1' HD12 ' A' ' 93' ' ' LEU . 2.8 m-20 -111.41 98.27 39.49 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.574 1.171 . . . . 0.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -20.65 16.77 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.523 1.802 . . . . 0.0 111.035 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.906 HD13 ' N ' ' A' ' 94' ' ' ALA . 0.0 OUTLIER -60.49 -34.78 74.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.254 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.906 ' N ' HD13 ' A' ' 93' ' ' LEU . . . -61.88 -65.33 0.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.511 ' N ' ' CD ' ' A' ' 96' ' ' PRO . . . 128.06 -50.12 0.9 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 95' ' ' GLY . 18.4 Cg_endo -74.95 160.23 40.57 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.532 1.806 . . . . 0.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.476 ' CD2' HG12 ' A' ' 79' ' ' ILE . 9.8 tp -120.2 -45.1 2.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.448 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 0.0 OUTLIER -65.08 -29.51 70.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 110.242 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 76.7 t -60.55 -40.49 84.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -75.91 -30.76 58.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 110.301 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -70.12 -45.7 66.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 98' ' ' ARG . 22.4 p30 -92.57 31.28 1.37 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -98.92 131.99 24.5 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 48.9 2.1 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.502 1.79 . . . . 0.0 111.03 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -154.58 -45.67 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -82.29 117.99 22.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -112.19 -24.97 9.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -65.78 -58.51 9.01 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.543 1.152 . . . . 0.0 111.075 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.652 ' CD1' HG21 ' A' ' 87' ' ' ILE . 0.3 OUTLIER -67.12 -45.9 75.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 0.776 . . . . 0.0 109.382 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -43.99 -38.72 3.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.409 ' C ' ' N ' ' A' ' 113' ' ' TYR . 6.9 mtt180 -78.03 -63.34 1.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 113' ' ' TYR . 0.0 OUTLIER -43.24 -27.08 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.331 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.471 ' HA ' HD22 ' A' ' 116' ' ' LEU . 12.8 t80 -77.57 -53.45 7.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.959 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -43.99 -40.67 4.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 110.358 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.15 -60.5 2.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.322 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.932 ' HG ' HD23 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -41.83 -36.27 1.0 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.998 ' CG ' HD13 ' A' ' 55' ' ' LEU . 70.2 t90 -65.94 -60.7 2.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 107.944 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.708 HD21 HG22 ' A' ' 41' ' ' ILE . 67.5 mt -49.43 -32.45 11.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 116' ' ' LEU . . . -57.1 -60.82 3.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.716 ' HB2' HD23 ' A' ' 75' ' ' LEU . . . -49.22 -47.65 46.11 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.428 1.08 . . . . 0.0 109.264 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.791 ' CE1' ' CZ2' ' A' ' 117' ' ' TRP . 1.2 m-85 -55.98 -41.28 74.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.975 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -86.59 6.74 29.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.557 1.161 . . . . 0.0 109.384 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.476 ' HB3' ' OE1' ' A' ' 74' ' ' GLN . . . -102.77 0.76 33.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 88.6 mt -76.53 151.99 83.17 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 55.86 4.05 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.524 1.802 . . . . 0.0 110.914 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 172.91 -52.09 0.16 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' A' ' 121' ' ' PHE . 27.1 t -39.42 -61.3 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.614 0.832 . . . . 0.0 110.026 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -134.65 -53.9 0.82 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt 68.2 161.95 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.341 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.51 ' N ' ' CD ' ' A' ' 131' ' ' PRO . 0.1 OUTLIER 163.4 -52.11 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.298 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.51 ' CD ' ' N ' ' A' ' 130' ' ' ASP . 18.2 Cg_endo -75.03 112.4 3.55 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.59 1.837 . . . . 0.0 110.983 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.99 -16.06 61.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.611 1.194 . . . . 0.0 110.01 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.685 ' HE3' HD21 ' A' ' 172' ' ' LEU . 42.9 p-90 -78.26 -17.17 57.03 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -80.36 2.98 22.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -117.97 14.36 14.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.045 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.549 ' CG1' ' HA ' ' A' ' 133' ' ' TRP . 2.0 mm -98.55 117.08 42.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.357 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -136.33 107.54 6.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' GLN . . . . . 0.636 ' NE2' ' CH2' ' A' ' 205' ' ' TRP . 6.3 tm0? -60.06 109.84 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -65.5 161.47 42.43 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.483 1.114 . . . . 0.0 111.042 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.579 HD21 ' HB2' ' A' ' 180' ' ' GLU . 2.4 tm? -60.23 -41.45 93.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.761 . . . . 0.0 109.252 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -111.17 39.97 2.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -113.61 156.01 44.11 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 91.14 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.519 1.799 . . . . 0.0 110.962 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' TYR . . . . . 0.779 ' O ' HG23 ' A' ' 148' ' ' VAL . 52.9 t80 -52.75 -48.84 66.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 111.02 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.75 -46.23 67.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.608 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -60.8 -45.42 94.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.084 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' PHE . . . . . 0.463 ' CD2' HG22 ' A' ' 136' ' ' ILE . 2.0 m-85 -55.65 -48.58 74.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.779 HG23 ' O ' ' A' ' 144' ' ' TYR . 13.8 t -53.21 -42.63 47.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.99 -57.22 13.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.336 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.03 -14.42 35.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.429 1.08 . . . . 0.0 110.342 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.497 ' HA ' HD23 ' A' ' 151' ' ' LEU . 3.2 mt -78.46 -44.71 23.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.347 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 152' ' ' ASN . . . . . 0.457 ' HA ' ' CE ' ' A' ' 165' ' ' LYS . 25.4 t-20 -63.84 -28.77 70.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.458 ' O ' ' N ' ' A' ' 156' ' ' ASP . 4.3 mt -84.41 -58.77 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -48.98 -30.84 6.5 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.479 1.112 . . . . 0.0 109.259 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 0.639 HD22 ' HG ' ' A' ' 159' ' ' LEU . 17.6 mt -82.89 -29.91 28.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.368 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 153' ' ' ILE . 0.2 OUTLIER -71.33 -6.32 39.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 109.366 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 16.0 m-20 -117.76 -38.93 3.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -90.58 -41.27 5.46 Favored Glycine 0 CA--C 1.528 0.896 0 O-C-N 124.501 1.126 . . . . 0.0 111.039 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.66 ' CD1' HG22 ' A' ' 163' ' ' THR . 0.2 OUTLIER -79.01 114.57 45.44 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.473 0.749 . . . . 0.0 109.316 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 150.89 38.91 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.475 1.776 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -57.32 -27.39 62.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 110.263 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -65.94 -19.53 67.78 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.49 1.118 . . . . 0.0 110.994 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 163' ' ' THR . . . . . 0.66 HG22 ' CD1' ' A' ' 159' ' ' LEU . 1.3 m -115.28 141.32 26.97 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.516 0.774 . . . . 0.0 110.395 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 164' ' ' PRO . . . . . 0.529 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.3 Cg_endo -75.0 120.55 6.12 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.498 1.788 . . . . 0.0 111.056 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 165' ' ' LYS . . . . . 0.511 ' HE2' HD22 ' A' ' 169' ' ' LEU . 0.0 OUTLIER -98.01 -31.03 12.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.341 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 166' ' ' ASP . . . . . 0.498 ' N ' ' CD ' ' A' ' 167' ' ' PRO . 0.1 OUTLIER -40.68 -52.29 6.45 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.436 1.085 . . . . 0.0 109.288 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 167' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 166' ' ' ASP . 18.3 Cg_endo -74.96 -57.48 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.512 1.796 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 168' ' ' ILE . . . . . 0.817 HG23 HD12 ' A' ' 172' ' ' LEU . 0.0 OUTLIER -45.8 -26.02 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 169' ' ' LEU . . . . . 0.801 ' CD2' HD22 ' A' ' 195' ' ' LEU . 24.9 tp -65.62 -66.99 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.602 1.189 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 170' ' ' ARG . . . . . 0.415 ' HG2' ' N ' ' A' ' 171' ' ' SER . 17.9 ptt180 -57.38 -30.21 64.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 171' ' ' SER . . . . . 0.415 ' N ' ' HG2' ' A' ' 170' ' ' ARG . 0.1 OUTLIER -75.04 -25.16 58.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.085 . . . . 0.0 110.0 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.817 HD12 HG23 ' A' ' 168' ' ' ILE . 1.0 OUTLIER -80.27 -49.12 12.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 173' ' ' ALA . . . . . 0.751 ' O ' ' HB2' ' A' ' 177' ' ' ALA . . . -67.85 -14.44 62.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 174' ' ' TYR . . . . . 0.442 ' O ' ' HB3' ' A' ' 177' ' ' ALA . 17.5 t80 -97.23 -62.99 1.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 33.5 t -57.33 -55.6 32.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.991 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -84.93 52.48 2.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 177' ' ' ALA . . . . . 0.751 ' HB2' ' O ' ' A' ' 173' ' ' ALA . . . -129.44 140.44 51.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.285 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 178' ' ' ASN . . . . . 0.421 ' OD1' ' N ' ' A' ' 140' ' ' LEU . 0.7 OUTLIER -52.93 -175.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.425 1.078 . . . . 0.0 109.332 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.93 -61.5 1.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 180' ' ' GLU . . . . . 0.579 ' HB2' HD21 ' A' ' 140' ' ' LEU . 0.3 OUTLIER -43.54 -36.48 2.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.299 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 181' ' ' CYS . . . . . 0.424 ' O ' ' N ' ' A' ' 184' ' ' LEU . 12.2 t -69.45 -69.84 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 108.286 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -45.82 -40.92 10.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 5.0 mtpp -62.96 -38.56 91.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.257 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.475 ' CD1' ' HB2' ' A' ' 205' ' ' TRP . 2.1 tt -59.93 -54.17 49.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 185' ' ' LEU . . . . . 0.54 ' CD2' ' NE2' ' A' ' 190' ' ' HIS . 43.7 mt -54.71 -56.65 16.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 186' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -49.94 -44.11 50.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.281 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -65.31 -25.06 67.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 109.34 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 188' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 185' ' ' LEU . 0.3 OUTLIER -87.0 -9.72 54.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.273 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 53.97 46.11 69.86 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 190' ' ' HIS . . . . . 0.553 ' CG ' ' O ' ' A' ' 190' ' ' HIS . 0.1 OUTLIER -147.03 28.35 1.02 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 0.731 . . . . 0.0 109.622 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 191' ' ' THR . . . . . 0.455 ' C ' ' O ' ' A' ' 190' ' ' HIS . 1.2 p -33.12 -49.31 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.442 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 192' ' ' ASN . . . . . 0.441 ' O ' ' O ' ' A' ' 193' ' ' SER . 21.9 m-80 -83.5 -109.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.335 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 193' ' ' SER . . . . . 0.529 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.2 OUTLIER 49.01 179.52 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.944 179.931 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 194' ' ' PRO . . . . . 0.529 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.3 Cg_endo -74.96 170.87 19.45 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.567 1.825 . . . . 0.0 110.964 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 195' ' ' LEU . . . . . 0.801 HD22 ' CD2' ' A' ' 169' ' ' LEU . 13.3 tp -70.28 -35.95 74.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -47.46 -37.73 12.91 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.439 1.087 . . . . 0.0 111.044 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 197' ' ' ASP . . . . . 0.466 ' HB3' ' CE1' ' A' ' 190' ' ' HIS . 17.8 t0 -77.96 -36.14 49.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 0.742 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 198' ' ' MET . . . . . 0.445 ' HG3' HD12 ' A' ' 195' ' ' LEU . 75.3 mmm -54.85 -47.52 74.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 199' ' ' LEU . . . . . 0.626 HD21 HG11 ' A' ' 148' ' ' VAL . 2.3 mm? -71.76 -30.05 65.15 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.539 1.15 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.19 -5.98 47.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.342 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -102.63 -28.9 11.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 202' ' ' CYS . . . . . 0.597 ' SG ' ' CD2' ' A' ' 144' ' ' TYR . 0.1 OUTLIER -94.56 -12.0 28.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.092 . . . . 0.0 108.258 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -55.09 -18.15 5.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 110.314 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 204' ' ' THR . . . . . 0.408 ' O ' ' N ' ' A' ' 206' ' ' THR . 0.1 OUTLIER -105.71 -15.21 15.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.32 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 205' ' ' TRP . . . . . 0.636 ' CH2' ' NE2' ' A' ' 138' ' ' GLN . 3.0 t90 -71.36 60.83 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 206' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 204' ' ' THR . 18.1 p -135.32 89.93 21.93 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.413 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 207' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 208' ' ' LYS . 18.5 Cg_endo -74.9 -50.1 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.51 1.795 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 208' ' ' LYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 209' ' ' ASP . 0.0 OUTLIER 40.46 66.53 0.61 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.414 1.071 . . . . 0.0 109.337 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 209' ' ' ASP . . . . . 0.402 ' CB ' ' O ' ' A' ' 208' ' ' LYS . 0.6 OUTLIER 75.14 -60.91 0.5 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.03 165.73 4.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 26.0 m -137.45 96.69 3.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 110.421 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -165.04 87.38 0.43 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.485 1.115 . . . . 0.0 109.249 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 213' ' ' VAL . . . . . . . . . . . . . 35.2 m -150.39 160.57 4.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.425 1.078 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 214' ' ' LEU . . . . . . . . . . . . . 1.7 pp . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.997 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 3.8 t60 . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -56.23 139.52 47.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.419 1.075 . . . . 0.0 109.62 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 22.9 m80 -109.73 160.03 16.66 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.527 1.142 . . . . 0.0 109.674 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 24.5 p80 -151.51 131.86 13.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.083 . . . . 0.0 109.599 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -122.71 91.57 3.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.628 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.7 p -145.81 117.08 7.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.029 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -178.62 -57.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.0 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 41.32 -151.0 0.18 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.445 1.091 . . . . 0.0 111.036 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -165.85 121.79 1.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 0.795 . . . . 0.0 109.57 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.1 pt -126.52 79.94 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -128.83 144.61 51.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.263 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -172.64 70.78 0.1 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.1 126.62 48.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 0.749 . . . . 0.0 110.27 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -73.24 82.17 1.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.57 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.588 ' SD ' ' CZ ' ' A' ' 48' ' ' PHE . 0.5 OUTLIER 60.6 101.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.132 . . . . 0.0 110.988 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.426 ' OE1' ' N ' ' A' ' 16' ' ' GLN . 15.3 pm0 -104.12 162.25 13.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 110.341 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.1 mmt -47.47 -31.03 3.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.94 -46.79 81.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 109.366 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.499 ' OD2' ' CE2' ' A' ' 48' ' ' PHE . 55.5 m-20 -60.7 -59.94 4.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.727 ' HA ' HD12 ' A' ' 23' ' ' ILE . 62.3 mt -47.19 -34.39 6.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.21 -60.19 2.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.336 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.46 -40.71 62.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.727 HD12 ' HA ' ' A' ' 20' ' ' LEU . 34.3 mt -56.37 -51.53 63.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.357 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -50.13 -31.47 13.57 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.479 1.112 . . . . 0.0 109.247 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -72.72 -72.3 0.25 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 110.241 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.488 ' CD ' HG23 ' A' ' 40' ' ' THR . 16.3 pt-20 -45.22 -30.83 1.29 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.281 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.528 HG21 HD13 ' A' ' 62' ' ' LEU . 31.4 t -74.21 -51.27 24.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -43.33 -29.72 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.022 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -68.39 -46.3 70.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.265 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.488 ' HB1' ' HB3' ' A' ' 36' ' ' GLN . . . -46.77 166.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.466 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -105.19 163.02 18.0 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.466 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.3 Cg_endo -74.95 108.89 2.82 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.484 1.781 . . . . 0.0 111.003 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.26 42.71 10.25 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 59.6 p -130.14 153.36 81.11 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.551 0.794 . . . . 0.0 110.0 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 49.57 2.28 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.488 ' HB3' ' HB1' ' A' ' 30' ' ' ALA . 1.4 tp60 -121.39 -47.11 2.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.248 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.414 ' CE1' HD11 ' A' ' 41' ' ' ILE . 2.7 t80 -61.17 -56.55 19.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 111.027 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.55 ' HE1' HD22 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -51.5 -49.18 62.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 111.07 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -49.08 -47.13 45.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.488 HG23 ' CD ' ' A' ' 26' ' ' GLU . 2.9 m -56.7 -32.06 65.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.441 1.088 . . . . 0.0 110.41 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.675 HG22 HD21 ' A' ' 118' ' ' LEU . 5.6 mm -68.34 -40.32 82.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.631 ' HD2' HD13 ' A' ' 118' ' ' LEU . 15.8 mmm180 -66.66 -22.44 66.1 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.566 1.167 . . . . 0.0 110.371 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.08 -50.42 13.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.478 ' HB1' ' CZ ' ' A' ' 48' ' ' PHE . . . -64.95 -34.89 79.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.855 HG11 HD11 ' A' ' 118' ' ' LEU . 1.2 t -72.0 -26.11 24.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.42 1.075 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -95.79 -2.45 47.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -90.84 -68.32 0.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.282 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.588 ' CZ ' ' SD ' ' A' ' 15' ' ' MET . 3.5 p90 -115.44 -30.83 6.11 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.551 1.157 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.47 ' CB ' ' O ' ' A' ' 48' ' ' PHE . 0.9 OUTLIER 79.49 96.1 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.446 1.091 . . . . 0.0 109.344 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.534 ' O ' ' NE2' ' A' ' 114' ' ' GLN . 18.3 Cg_endo -74.98 123.56 7.98 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.533 1.807 . . . . 0.0 111.032 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 26.0 p -59.54 -176.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.407 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.81 -46.55 87.36 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.454 1.096 . . . . 0.0 109.255 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -56.12 26.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.598 1.186 . . . . 0.0 109.247 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -52.5 -37.3 57.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 1.142 HD13 ' CG ' ' A' ' 117' ' ' TRP . 13.8 mt -65.42 -42.35 92.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.7 -54.71 38.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.135 . . . . 0.0 110.262 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -64.82 -46.26 82.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.081 . . . . 0.0 109.252 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.433 HD13 ' CD2' ' A' ' 20' ' ' LEU . 15.9 tp -50.38 -32.83 18.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.487 HD12 ' HB2' ' A' ' 63' ' ' CYS . 32.9 tp -70.59 -42.44 71.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -83.81 7.55 17.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.255 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -101.97 -54.41 2.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 111.085 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.616 HD11 HG22 ' A' ' 23' ' ' ILE . 53.8 mt -98.19 -57.69 2.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 109.239 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.501 ' SG ' ' CG1' ' A' ' 67' ' ' VAL . 1.2 m -57.89 164.57 2.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 108.323 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.665 ' O ' ' HB2' ' A' ' 68' ' ' ALA . 15.6 m -99.03 -175.44 3.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.059 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.53 -52.62 30.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.038 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.7 tp -65.77 -55.95 14.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.438 1.086 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.501 ' CG1' ' SG ' ' A' ' 63' ' ' CYS . 1.0 OUTLIER -51.26 -40.01 22.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.314 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.665 ' HB2' ' O ' ' A' ' 64' ' ' SER . . . -57.24 -60.19 3.99 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 109.241 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.407 ' O ' ' HB2' ' A' ' 72' ' ' HIS . 58.3 p -49.67 -42.75 46.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.07 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.3 mt -51.74 -44.28 63.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.731 ' CD2' ' HB3' ' A' ' 120' ' ' ALA . 0.2 OUTLIER -70.99 -37.21 72.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.55 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.407 ' HB2' ' O ' ' A' ' 69' ' ' SER . 25.1 m80 -52.12 -44.83 64.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.592 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.2 tm0? -65.81 -56.0 14.2 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.12 . . . . 0.0 110.283 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.897 ' O ' HD22 ' A' ' 78' ' ' LEU . 43.3 mt-30 -53.61 -27.95 29.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.299 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.52 HD23 ' CB ' ' A' ' 120' ' ' ALA . 0.1 OUTLIER -70.04 -54.36 13.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -53.27 -20.95 4.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.3 m -72.88 -55.54 6.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.045 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.897 HD22 ' O ' ' A' ' 74' ' ' GLN . 0.1 OUTLIER -66.11 -47.84 72.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 109.293 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.654 HD12 ' CD2' ' A' ' 97' ' ' LEU . 29.5 mm -48.75 -38.1 9.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 0.0 109.326 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.6 t -71.78 -35.6 70.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 110.065 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -62.31 -43.44 98.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.613 1.196 . . . . 0.0 110.307 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.801 ' HB1' HG12 ' A' ' 87' ' ' ILE . . . -64.3 -63.6 1.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.257 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -49.66 -36.54 25.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 110.269 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.8 m -62.36 -44.92 95.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.429 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 6.4 mpt_? -77.8 -1.75 33.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.308 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.17 -8.97 59.23 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.596 1.185 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.801 HG12 ' HB1' ' A' ' 82' ' ' ALA . 32.8 mt 58.82 157.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 O-C-N 124.458 0.74 . . . . 0.0 109.309 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.711 HG23 ' H ' ' A' ' 89' ' ' GLY . 0.0 OUTLIER -42.34 -73.53 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.53 1.144 . . . . 0.0 110.367 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.711 ' H ' HG23 ' A' ' 88' ' ' THR . . . -139.16 57.77 0.62 Allowed Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.505 1.128 . . . . 0.0 111.056 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.494 ' HB2' HD11 ' A' ' 109' ' ' LEU . 10.2 t80 -79.49 151.31 30.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 0.767 . . . . 0.0 111.021 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.57 ' N ' ' ND2' ' A' ' 91' ' ' ASN . 0.0 OUTLIER -115.25 129.67 24.9 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 1.35 7.84 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.491 1.785 . . . . 0.0 110.98 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 1.013 ' O ' HD22 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -94.77 -7.97 38.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.75 ' N ' HD13 ' A' ' 93' ' ' LEU . . . -103.23 56.76 0.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.26 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.486 ' C ' ' O ' ' A' ' 94' ' ' ALA . . . -29.99 -59.43 0.2 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.453 1.095 . . . . 0.0 110.949 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 88.91 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.495 1.787 . . . . 0.0 110.922 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.654 ' CD2' HD12 ' A' ' 79' ' ' ILE . 12.9 tp -47.6 -44.34 26.39 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.553 1.158 . . . . 0.0 109.258 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -48.11 -41.23 25.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 110.312 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 42.6 t -66.56 -34.99 73.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.585 HE21 ' HB3' ' A' ' 94' ' ' ALA . 0.5 OUTLIER -68.51 -36.28 78.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -75.39 -28.54 59.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -61.44 -24.59 66.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -84.37 129.16 58.92 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.404 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -15.56 20.78 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.494 1.786 . . . . 0.0 110.95 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -57.21 -55.59 32.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.32 62.31 4.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -55.92 -27.97 54.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.27 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -58.1 -57.13 21.42 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.583 1.177 . . . . 0.0 110.977 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.76 HD11 HG21 ' A' ' 87' ' ' ILE . 0.5 OUTLIER -71.92 -27.5 62.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 0.767 . . . . 0.0 109.357 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.18 -58.64 7.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.34 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.431 ' NH1' ' OE1' ' A' ' 115' ' ' GLN . 0.0 OUTLIER -61.02 -44.85 96.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.43 1.081 . . . . 0.0 110.308 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -54.56 -48.22 72.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 110.282 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -65.65 -43.73 88.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.534 ' NE2' ' O ' ' A' ' 50' ' ' PRO . 42.5 mm-40 -55.62 -49.45 72.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.264 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.431 ' OE1' ' NH1' ' A' ' 111' ' ' ARG . 3.8 tt0 -69.42 -47.77 63.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.459 1.1 . . . . 0.0 110.257 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.911 HD23 ' N ' ' A' ' 117' ' ' TRP . 0.2 OUTLIER -51.16 -47.37 62.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 1.142 ' CG ' HD13 ' A' ' 55' ' ' LEU . 86.1 t90 -54.35 -53.96 46.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 107.99 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.855 HD11 HG11 ' A' ' 45' ' ' VAL . 78.2 mt -55.21 -21.6 14.52 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.832 ' HB3' ' O ' ' A' ' 116' ' ' LEU . . . -68.19 -63.4 1.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.731 ' HB3' ' CD2' ' A' ' 71' ' ' HIS . . . -55.93 -31.96 63.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.404 1.065 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.798 ' CE1' ' CZ2' ' A' ' 117' ' ' TRP . 0.2 OUTLIER -63.54 -42.31 98.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 111.039 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.439 ' HB2' ' HG3' ' A' ' 38' ' ' MET . . . -93.78 6.49 48.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.625 ' HB1' ' OE1' ' A' ' 74' ' ' GLN . . . -94.66 0.12 54.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 59.0 mt -73.13 155.22 90.33 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.325 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 56.28 4.22 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.548 1.815 . . . . 0.0 111.021 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 170.56 -34.71 0.17 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.563 1.164 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.411 ' O ' ' HA ' ' A' ' 122' ' ' ALA . 7.6 t -75.88 70.09 2.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 0.757 . . . . 0.0 110.027 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -166.76 -169.13 1.26 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.59 -179.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.601 1.188 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -140.27 173.05 5.39 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 115.51 4.3 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.55 1.816 . . . . 0.0 110.982 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 6.1 m -71.76 -23.88 61.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.422 1.076 . . . . 0.0 110.009 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.676 ' CD1' HD23 ' A' ' 155' ' ' LEU . 23.3 p-90 -73.69 -27.1 61.05 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.6 -13.66 54.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.345 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 24.4 m -120.96 29.39 7.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.428 1.08 . . . . 0.0 110.042 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 9.4 mt -123.01 120.87 61.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.352 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.913 HD23 ' HB3' ' A' ' 176' ' ' ASN . 0.8 OUTLIER -136.36 141.18 43.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.437 1.086 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 138' ' ' GLN . . . . . 0.493 ' CG ' ' HA ' ' A' ' 144' ' ' TYR . 0.2 OUTLIER -81.86 114.58 20.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 139' ' ' GLY . . . . . 0.451 ' N ' ' OE1' ' A' ' 138' ' ' GLN . . . -71.12 154.04 51.61 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.488 1.117 . . . . 0.0 110.948 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -64.95 -27.53 68.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 0.73 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -113.44 40.67 2.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.298 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.14 156.27 76.99 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.272 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 110.32 3.09 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.489 1.784 . . . . 0.0 111.065 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' TYR . . . . . 0.757 ' O ' HG23 ' A' ' 148' ' ' VAL . 14.1 t80 -68.71 -43.97 74.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.455 1.097 . . . . 0.0 111.032 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.12 -54.76 26.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 109.631 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -58.56 -37.49 75.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.263 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' PHE . . . . . 0.49 ' CD2' ' HG2' ' A' ' 138' ' ' GLN . 0.2 OUTLIER -62.12 -51.38 68.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 111.019 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 144' ' ' TYR . 33.2 t -49.04 -34.82 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.353 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 149' ' ' GLU . . . . . 0.711 ' O ' HD12 ' A' ' 153' ' ' ILE . 23.6 tt0 -67.36 -54.73 17.95 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -34.7 72.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.579 1.175 . . . . 0.0 110.335 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.528 HD11 ' HB3' ' A' ' 172' ' ' LEU . 1.0 OUTLIER -59.28 -38.93 81.39 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 109.303 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 33.2 t-20 -65.95 -54.22 29.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.711 HD12 ' O ' ' A' ' 149' ' ' GLU . 2.1 mp -52.53 -53.61 19.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -59.04 -23.18 61.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 0.676 HD23 ' CD1' ' A' ' 133' ' ' TRP . 20.2 mt -90.06 -3.74 57.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -102.22 -12.38 18.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -109.72 -12.15 14.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -123.86 -43.59 0.33 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.617 HD23 ' NE1' ' A' ' 133' ' ' TRP . 0.2 OUTLIER -79.48 114.52 46.08 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.554 0.796 . . . . 0.0 109.324 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 160' ' ' PRO . . . . . 0.547 ' HD2' HD13 ' A' ' 159' ' ' LEU . 18.3 Cg_endo -75.0 -178.54 4.24 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.469 1.773 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.48 -26.75 24.47 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -70.92 -13.5 72.42 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.579 1.174 . . . . 0.0 111.012 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 163' ' ' THR . . . . . 0.68 HG23 ' HD2' ' A' ' 164' ' ' PRO . 3.5 m -111.95 145.37 32.6 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.507 0.769 . . . . 0.0 110.384 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 164' ' ' PRO . . . . . 0.68 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.1 Cg_endo -75.07 110.95 3.21 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.439 1.757 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 165' ' ' LYS . . . . . 0.539 ' HB2' HD12 ' A' ' 159' ' ' LEU . 0.0 OUTLIER -98.9 -23.6 15.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 166' ' ' ASP . . . . . 0.509 ' CB ' ' HD3' ' A' ' 167' ' ' PRO . 0.3 OUTLIER -51.45 -52.95 54.97 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 167' ' ' PRO . . . . . 0.509 ' HD3' ' CB ' ' A' ' 166' ' ' ASP . 18.4 Cg_endo -74.98 -48.93 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.464 1.77 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -48.52 -39.62 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.567 1.167 . . . . 0.0 109.387 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 169' ' ' LEU . . . . . 0.656 HD13 HD12 ' A' ' 155' ' ' LEU . 13.4 tp -59.36 -61.96 2.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 170' ' ' ARG . . . . . 0.5 ' CZ ' ' O ' ' A' ' 191' ' ' THR . 32.2 ttp85 -53.44 -40.74 65.42 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.451 1.095 . . . . 0.0 110.307 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.04 -33.18 73.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.986 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.571 HD21 ' HE3' ' A' ' 133' ' ' TRP . 10.5 mt -78.53 -38.65 39.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 173' ' ' ALA . . . . . 0.452 ' HB1' ' HE1' ' A' ' 144' ' ' TYR . . . -78.72 0.05 28.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -111.66 -67.67 0.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 111.037 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 2.3 m -45.0 -65.08 0.58 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.944 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 176' ' ' ASN . . . . . 0.913 ' HB3' HD23 ' A' ' 137' ' ' LEU . 2.4 p-10 -91.03 65.16 5.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.245 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 177' ' ' ALA . . . . . 0.452 ' HB2' ' O ' ' A' ' 173' ' ' ALA . . . -130.77 63.61 1.58 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.624 1.202 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 178' ' ' ASN . . . . . 0.422 ' O ' ' O ' ' A' ' 177' ' ' ALA . 0.0 OUTLIER 41.09 -162.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.084 . . . . 0.0 109.336 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 6.5 ttpt -111.13 -15.38 13.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 109.335 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 180' ' ' GLU . . . . . 0.429 ' HB3' ' NE1' ' A' ' 205' ' ' TRP . 0.0 OUTLIER -85.02 -43.97 13.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 181' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 184' ' ' LEU . 7.4 t -64.28 -59.94 3.78 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.508 1.13 . . . . 0.0 108.305 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.75 -45.07 7.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.278 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 8.3 ttpp -72.63 -32.36 65.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.654 HD23 ' O ' ' A' ' 184' ' ' LEU . 0.9 OUTLIER -60.4 -49.36 77.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 185' ' ' LEU . . . . . 0.529 HD11 ' CE ' ' A' ' 198' ' ' MET . 17.2 mt -56.91 -58.34 8.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 186' ' ' GLN . . . . . 0.468 ' CD ' HG21 ' A' ' 191' ' ' THR . 32.1 mm-40 -52.28 -42.57 63.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.141 . . . . 0.0 110.326 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -63.81 -25.72 68.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 188' ' ' ARG . . . . . 0.474 ' HG3' ' CD2' ' A' ' 184' ' ' LEU . 0.0 OUTLIER -86.0 -20.01 29.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 110.278 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 62.52 56.64 20.4 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.525 1.141 . . . . 0.0 111.007 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 190' ' ' HIS . . . . . 0.584 ' CG ' ' O ' ' A' ' 190' ' ' HIS . 1.2 p80 -157.92 39.35 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 0.726 . . . . 0.0 109.609 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 191' ' ' THR . . . . . 0.5 ' O ' ' CZ ' ' A' ' 170' ' ' ARG . 0.9 OUTLIER -64.39 -46.53 82.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 110.434 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -82.29 57.86 3.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.389 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 193' ' ' SER . . . . . 0.545 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER -133.37 -179.0 0.95 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.618 1.199 . . . . 0.0 110.023 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 194' ' ' PRO . . . . . 0.545 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.4 Cg_endo -74.95 -179.73 5.26 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.467 1.772 . . . . 0.0 111.019 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 195' ' ' LEU . . . . . 0.565 HD21 ' CG1' ' A' ' 148' ' ' VAL . 6.6 tp -74.78 -52.41 11.53 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.495 1.122 . . . . 0.0 109.36 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -43.35 -44.55 6.36 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.445 1.091 . . . . 0.0 111.044 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 197' ' ' ASP . . . . . 0.447 ' HB3' ' CE1' ' A' ' 190' ' ' HIS . 0.2 OUTLIER -64.05 -37.45 87.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 0.783 . . . . 0.0 109.328 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 198' ' ' MET . . . . . 0.529 ' CE ' HD11 ' A' ' 185' ' ' LEU . 2.8 mmm -67.69 -38.48 83.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.422 1.076 . . . . 0.0 111.026 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 199' ' ' LEU . . . . . 0.639 HD21 HG11 ' A' ' 148' ' ' VAL . 2.4 mm? -70.25 -16.82 63.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -88.2 -23.33 23.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.613 1.196 . . . . 0.0 110.293 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -83.48 -39.8 20.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.349 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 202' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 204' ' ' THR . 0.1 OUTLIER -83.83 -16.43 44.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 108.344 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 203' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 202' ' ' CYS . 8.8 pt20 -38.41 -29.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 110.268 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 204' ' ' THR . . . . . 0.534 ' OG1' HG22 ' A' ' 206' ' ' THR . 1.5 t -116.55 -50.14 2.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.321 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 205' ' ' TRP . . . . . 0.551 ' O ' ' CD1' ' A' ' 205' ' ' TRP . 5.4 t90 39.46 58.89 1.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 108.024 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 206' ' ' THR . . . . . 0.534 HG22 ' OG1' ' A' ' 204' ' ' THR . 15.3 t -174.06 144.83 1.02 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.351 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 207' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 206' ' ' THR . 18.6 Cg_endo -74.92 133.89 17.27 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.486 1.782 . . . . 0.0 111.003 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 208' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.63 138.6 37.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -132.58 142.64 49.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.421 1.076 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 55.2 pttt -130.58 164.02 25.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.255 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 59.2 p -116.52 151.31 36.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.428 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -86.02 159.18 19.67 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 213' ' ' VAL . . . . . 0.408 HG12 ' O ' ' A' ' 213' ' ' VAL . 67.8 t -92.93 79.27 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 214' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.347 -179.938 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -150.17 158.24 43.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.58 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.2 m80 -67.49 121.03 14.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.594 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 57.5 m-70 -109.1 137.59 46.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 109.639 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 24.8 m170 -91.32 -62.19 1.49 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.532 1.145 . . . . 0.0 109.633 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.8 p -152.82 115.27 4.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.972 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.2 t -169.5 147.93 3.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.036 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -163.95 -172.57 31.58 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 15.8 p-80 -165.51 -63.52 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 0.745 . . . . 0.0 109.639 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 60.4 mt -105.53 106.22 20.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -142.88 135.0 27.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 110.335 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -73.82 -164.77 10.29 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -160.67 82.86 0.67 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.558 0.799 . . . . 0.0 110.271 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.562 ' CG ' ' O ' ' A' ' 14' ' ' HIS . 0.4 OUTLIER -166.92 77.19 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.585 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.57 ' HG3' ' CZ ' ' A' ' 48' ' ' PHE . 1.2 ttt 74.43 150.0 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.42 ' HG3' ' CG ' ' A' ' 18' ' ' LYS . 5.7 pt20 -136.24 -171.54 2.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.307 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -71.39 -61.26 1.83 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 111.04 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.42 ' CG ' ' HG3' ' A' ' 16' ' ' GLN . 4.7 pttt -45.99 -41.72 12.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.559 1.162 . . . . 0.0 109.283 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -53.57 -48.2 69.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 109.35 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.511 ' CD2' HD13 ' A' ' 58' ' ' LEU . 27.0 mt -64.18 -31.4 72.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.44 -50.13 60.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 110.27 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.65 -47.14 86.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.422 ' HA ' ' CG ' ' A' ' 26' ' ' GLU . 69.7 mt -52.69 -51.09 38.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.69 -33.23 21.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.32 -71.92 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.265 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.495 ' CD ' HG23 ' A' ' 40' ' ' THR . 4.8 pt-20 -45.33 -28.15 0.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.36 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.655 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 10.2 t -77.73 -47.65 25.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.7 p -46.22 -49.68 16.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.95 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -54.93 -33.39 62.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.436 1.085 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.655 ' HB3' ' O ' ' A' ' 27' ' ' VAL . . . -47.84 166.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.36 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.594 ' HB3' ' HB3' ' A' ' 34' ' ' SER . . . -108.14 164.51 14.61 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.496 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.0 Cg_endo -75.04 115.1 4.18 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.516 1.798 . . . . 0.0 110.988 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 70.19 34.25 69.6 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.488 1.118 . . . . 0.0 111.003 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.594 ' HB3' ' HB3' ' A' ' 31' ' ' ALA . 1.5 t -118.13 150.95 48.48 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.556 0.797 . . . . 0.0 110.033 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 50.27 2.47 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.512 1.796 . . . . 0.0 110.976 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -121.32 -46.94 2.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.158 . . . . 0.0 110.322 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.629 ' CE1' HD11 ' A' ' 41' ' ' ILE . 0.8 OUTLIER -65.98 -66.83 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 111.044 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.505 ' CE ' HD22 ' A' ' 118' ' ' LEU . 6.2 tpt -47.69 -41.23 22.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.579 1.174 . . . . 0.0 111.017 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -55.46 -42.96 75.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.272 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.653 HG21 HG23 ' A' ' 27' ' ' VAL . 0.9 OUTLIER -64.69 -23.42 67.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.335 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.629 HD11 ' CE1' ' A' ' 37' ' ' PHE . 19.7 mm -72.9 -52.72 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.637 ' HD2' HD13 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -55.92 -34.24 65.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.343 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.82 -51.16 68.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.367 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.497 ' HB1' ' CZ ' ' A' ' 48' ' ' PHE . . . -65.58 -33.72 76.58 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.38 1.05 . . . . 0.0 109.189 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.723 HG11 HD11 ' A' ' 118' ' ' LEU . 2.1 t -69.08 -30.21 45.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.75 -2.15 56.22 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -87.45 -68.53 0.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.575 1.172 . . . . 0.0 110.292 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.57 ' CZ ' ' HG3' ' A' ' 15' ' ' MET . 1.5 p90 -114.34 -27.56 7.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.965 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 48' ' ' PHE . 1.7 m-20 76.13 93.24 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.501 ' O ' ' NE2' ' A' ' 114' ' ' GLN . 18.1 Cg_endo -74.98 126.39 9.95 Favored 'Trans proline' 0 C--N 1.359 1.087 0 O-C-N 124.534 1.807 . . . . 0.0 110.971 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.532 ' HG1' ' CE1' ' A' ' 14' ' ' HIS . 8.6 p -61.44 -167.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 110.385 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.51 -38.6 81.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 109.367 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' A' ' 56' ' ' GLN . 4.9 mttp -63.1 -65.16 0.73 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.413 1.07 . . . . 0.0 109.234 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -45.89 -42.41 12.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 109.275 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 1.034 HD13 ' CG ' ' A' ' 117' ' ' TRP . 12.8 mt -60.55 -41.96 95.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.565 1.165 . . . . 0.0 109.336 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -53.04 -54.07 40.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.25 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 60' ' ' GLN . 17.9 t0 -65.79 -55.72 15.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.524 HD22 ' HE1' ' A' ' 15' ' ' MET . 31.9 tp -43.11 -36.53 1.69 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.426 1.078 . . . . 0.0 109.302 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 33.3 tp -65.02 -47.99 75.5 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.61 1.193 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -87.79 18.26 4.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -111.65 -31.04 7.12 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.543 1.152 . . . . 0.0 111.061 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 63.8 mt -102.09 -62.37 1.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.45 ' SG ' HG12 ' A' ' 67' ' ' VAL . 13.6 p -86.12 171.75 11.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 108.3 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.0 m -90.95 176.14 6.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.971 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.1 m -53.81 -44.04 69.86 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.579 1.174 . . . . 0.0 110.048 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.406 ' C ' HD12 ' A' ' 66' ' ' LEU . 2.5 tp -45.25 -71.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.45 HG12 ' SG ' ' A' ' 63' ' ' CYS . 3.5 t -50.51 -50.77 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.516 ' O ' ' CG ' ' A' ' 72' ' ' HIS . . . -43.77 -35.76 2.01 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.553 1.158 . . . . 0.0 109.264 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.6 m -78.65 -47.67 16.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 109.996 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.443 ' O ' ' NE2' ' A' ' 74' ' ' GLN . 94.6 mt -51.24 -45.54 62.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.508 ' CD2' ' C ' ' A' ' 71' ' ' HIS . 0.2 OUTLIER -67.34 -37.77 83.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 109.603 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.516 ' CG ' ' O ' ' A' ' 68' ' ' ALA . 52.7 m170 -56.67 -21.06 24.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.642 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -87.79 -71.99 0.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.326 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.443 ' NE2' ' O ' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -46.88 -32.55 3.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.319 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.846 HD13 HD12 ' A' ' 79' ' ' ILE . 2.1 tm? -76.25 -42.0 47.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -59.28 -53.01 63.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.9 t -52.8 -52.38 57.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.052 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.593 HD23 ' HG ' ' A' ' 116' ' ' LEU . 19.1 tp -51.06 -52.31 44.55 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.572 1.17 . . . . 0.0 109.246 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.846 HD12 HD13 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -52.52 -43.79 43.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.56 -36.47 45.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.018 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -67.76 -35.41 78.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.287 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.743 ' HB1' HG12 ' A' ' 87' ' ' ILE . . . -66.15 -59.82 3.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.147 . . . . 0.0 109.328 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -51.03 -39.53 56.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.249 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.8 m -57.4 -47.01 82.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.423 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.13 -1.67 27.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 110.345 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.47 -6.84 63.16 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.451 1.094 . . . . 0.0 111.023 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.743 HG12 ' HB1' ' A' ' 82' ' ' ALA . 37.7 mt 56.35 167.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.777 . . . . 0.0 109.367 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.505 ' N ' HG22 ' A' ' 87' ' ' ILE . 62.7 p -44.63 -76.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.592 1.183 . . . . 0.0 110.384 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.413 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -138.17 53.6 0.71 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.461 1.101 . . . . 0.0 111.04 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.506 ' CD1' ' OE1' ' A' ' 100' ' ' GLN . 77.0 t80 -81.19 144.89 31.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 0.736 . . . . 0.0 110.959 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.404 ' HB3' ' CD1' ' A' ' 93' ' ' LEU . 3.8 m-20 -111.31 102.16 52.33 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -22.85 14.49 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.438 1.757 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.892 HD13 ' N ' ' A' ' 94' ' ' ALA . 0.0 OUTLIER -57.73 -34.92 70.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.892 ' N ' HD13 ' A' ' 93' ' ' LEU . . . -62.58 -64.72 0.84 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.523 ' N ' ' CD ' ' A' ' 96' ' ' PRO . . . 125.64 -48.94 0.94 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.566 1.166 . . . . 0.0 110.981 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 95' ' ' GLY . 18.6 Cg_endo -74.95 160.1 40.73 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.497 1.788 . . . . 0.0 111.029 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.712 HD21 HG12 ' A' ' 79' ' ' ILE . 14.6 tp -120.15 -52.43 2.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.34 -25.16 48.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.247 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.473 ' CG2' ' HB2' ' A' ' 96' ' ' PRO . 89.1 t -66.14 -45.01 91.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.506 ' OE1' ' CD1' ' A' ' 90' ' ' TYR . 77.2 mt-30 -71.37 -23.7 61.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 0.0 110.335 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.544 ' HB2' ' CD2' ' A' ' 113' ' ' TYR . . . -76.94 -25.88 53.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -113.14 33.17 5.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.145 . . . . 0.0 109.28 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.522 ' ND2' ' HD2' ' A' ' 104' ' ' PRO . 0.2 OUTLIER -98.75 132.3 24.11 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.522 ' HD2' ' ND2' ' A' ' 103' ' ' ASN . 18.2 Cg_endo -75.08 49.16 2.2 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.539 1.81 . . . . 0.0 110.952 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -165.83 -41.55 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.272 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -79.65 54.75 1.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.02 -24.98 63.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 110.32 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.25 -56.46 20.09 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.515 1.134 . . . . 0.0 111.023 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.659 HD11 HG21 ' A' ' 87' ' ' ILE . 0.2 OUTLIER -74.32 -30.25 61.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.586 0.815 . . . . 0.0 109.343 179.945 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.44 -55.15 37.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.272 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.49 -45.54 90.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -53.35 -51.03 63.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.544 ' CD2' ' HB2' ' A' ' 101' ' ' ALA . 4.7 t80 -53.83 -39.9 65.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 110.953 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.501 ' NE2' ' O ' ' A' ' 50' ' ' PRO . 6.2 tp-100 -55.14 -50.87 68.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.21 -57.9 4.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 110.335 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.725 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 0.0 OUTLIER -41.57 -42.91 2.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 1.034 ' CG ' HD13 ' A' ' 55' ' ' LEU . 88.2 t90 -60.07 -54.97 39.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 108.01 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.723 HD11 HG11 ' A' ' 45' ' ' VAL . 50.4 mt -53.11 -28.32 24.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.436 1.085 . . . . 0.0 109.348 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.725 ' HB3' ' O ' ' A' ' 116' ' ' LEU . . . -59.79 -63.26 1.37 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.465 ' CB ' ' HB2' ' A' ' 75' ' ' LEU . . . -54.91 -38.5 67.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.93 -30.64 71.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 111.021 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -99.12 6.47 46.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -101.83 1.37 37.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 81.4 mt -74.18 154.86 88.38 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 55.85 4.09 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.55 1.816 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 148.9 45.76 0.03 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.534 1.146 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 22.7 t -145.57 52.53 1.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 0.774 . . . . 0.0 109.986 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -168.35 -71.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.4 177.22 5.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.593 1.183 . . . . 0.0 109.287 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.55 143.21 35.7 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.439 1.087 . . . . 0.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.64 ' HG2' ' HB2' ' A' ' 134' ' ' ALA . 18.3 Cg_endo -75.01 136.26 20.13 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.446 1.761 . . . . 0.0 110.95 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.94 -23.12 52.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.987 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.706 ' CD1' HD23 ' A' ' 155' ' ' LEU . 12.6 p-90 -75.76 -13.29 60.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 0.0 107.937 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.64 ' HB2' ' HG2' ' A' ' 131' ' ' PRO . . . -68.24 -10.45 54.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.07 31.83 4.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 110.003 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.575 HD12 ' HA ' ' A' ' 133' ' ' TRP . 32.7 mt -123.12 120.91 61.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.496 ' N ' HD12 ' A' ' 137' ' ' LEU . 0.0 OUTLIER -146.52 149.8 34.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 138' ' ' GLN . . . . . 0.461 ' NE2' ' O ' ' A' ' 139' ' ' GLY . 2.8 tp60 -67.28 114.31 5.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.261 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' GLY . . . . . 0.461 ' O ' ' NE2' ' A' ' 138' ' ' GLN . . . -76.7 158.14 48.29 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.432 1.082 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -62.68 -35.17 78.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.765 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -114.94 40.75 2.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.261 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -132.35 155.77 80.89 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' PRO . . . . . 0.464 ' HB2' ' HB3' ' A' ' 146' ' ' ALA . 18.5 Cg_endo -74.91 109.88 3.01 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.453 1.765 . . . . 0.0 111.037 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 144' ' ' TYR . . . . . 0.743 ' O ' HG23 ' A' ' 148' ' ' VAL . 2.6 t80 -66.55 -45.17 80.25 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.546 1.154 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.64 -58.12 9.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.565 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.464 ' HB3' ' HB2' ' A' ' 143' ' ' PRO . . . -52.57 -36.89 56.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 147' ' ' PHE . . . . . 0.472 ' CE1' HG23 ' A' ' 136' ' ' ILE . 0.1 OUTLIER -60.6 -56.69 18.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.743 HG23 ' O ' ' A' ' 144' ' ' TYR . 21.5 t -44.81 -39.8 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -58.27 -59.83 4.71 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.58 1.175 . . . . 0.0 110.261 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -57.01 -44.06 82.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.089 . . . . 0.0 110.297 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.475 ' HB3' ' CD1' ' A' ' 169' ' ' LEU . 1.8 mt -46.87 -43.51 18.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -65.36 -34.02 77.34 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.448 ' N ' ' O ' ' A' ' 150' ' ' ARG . 17.1 mt -69.02 -61.86 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -54.78 -20.41 8.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.245 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 0.706 HD23 ' CD1' ' A' ' 133' ' ' TRP . 21.1 mt -90.18 -23.26 21.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 153' ' ' ILE . 30.7 t70 -88.01 -8.06 56.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 29.7 m-20 -115.12 -7.64 12.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.437 1.086 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -128.14 -43.32 0.23 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.526 1.141 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.614 HD13 ' HD2' ' A' ' 160' ' ' PRO . 0.2 OUTLIER -79.93 115.18 52.27 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.453 0.737 . . . . 0.0 109.262 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 160' ' ' PRO . . . . . 0.614 ' HD2' HD13 ' A' ' 159' ' ' LEU . 18.2 Cg_endo -75.07 -171.11 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.535 1.808 . . . . 0.0 111.006 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -89.34 -43.27 11.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 110.266 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -51.59 -28.8 23.06 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.506 1.129 . . . . 0.0 111.023 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 163' ' ' THR . . . . . 0.655 HG23 ' HD2' ' A' ' 164' ' ' PRO . 1.5 m -100.96 144.01 27.72 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.449 0.735 . . . . 0.0 110.396 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 164' ' ' PRO . . . . . 0.655 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.4 Cg_endo -74.98 116.62 4.64 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.499 1.789 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 165' ' ' LYS . . . . . 0.557 ' HB2' HD12 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -102.56 -18.62 15.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 109.346 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 166' ' ' ASP . . . . . 0.554 ' N ' ' CD ' ' A' ' 167' ' ' PRO . 0.0 OUTLIER -57.39 -49.78 91.9 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.318 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 167' ' ' PRO . . . . . 0.554 ' CD ' ' N ' ' A' ' 166' ' ' ASP . 18.1 Cg_endo -75.08 -45.65 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.41 1.742 . . . . 0.0 110.949 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 168' ' ' ILE . . . . . 0.465 HD13 HD21 ' A' ' 159' ' ' LEU . 0.3 OUTLIER -53.65 -46.84 61.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 169' ' ' LEU . . . . . 0.673 HD13 HD12 ' A' ' 155' ' ' LEU . 53.9 tp -54.52 -56.77 15.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.578 1.174 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 170' ' ' ARG . . . . . 0.502 ' HG3' HD13 ' A' ' 195' ' ' LEU . 10.5 mtt180 -58.97 -15.94 15.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 110.281 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 171' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 175' ' ' SER . 0.2 OUTLIER -83.8 -38.94 20.62 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.557 1.161 . . . . 0.0 110.008 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.541 ' CD1' HD11 ' A' ' 155' ' ' LEU . 0.9 OUTLIER -81.99 -17.88 45.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.437 1.086 . . . . 0.0 109.278 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -83.99 -30.61 26.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 174' ' ' TYR . . . . . 0.443 ' HB2' ' HE1' ' A' ' 198' ' ' MET . 13.6 t80 -117.02 -69.91 0.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.942 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 175' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 171' ' ' SER . 0.2 OUTLIER -41.57 -30.28 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.949 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 176' ' ' ASN . . . . . 0.424 ' HB3' HD23 ' A' ' 137' ' ' LEU . 2.1 m120 -118.46 61.63 0.78 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 177' ' ' ALA . . . . . 0.413 ' O ' ' O ' ' A' ' 178' ' ' ASN . . . -139.73 158.36 44.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 178' ' ' ASN . . . . . 0.413 ' O ' ' O ' ' A' ' 177' ' ' ALA . 44.2 p-10 -57.52 -160.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.258 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.21 -45.29 7.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.575 1.172 . . . . 0.0 109.3 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.26 -42.56 41.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 181' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 184' ' ' LEU . 71.7 m -76.23 -66.35 0.81 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.495 1.122 . . . . 0.0 108.268 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 182' ' ' GLN . . . . . 0.452 ' O ' ' NE2' ' A' ' 186' ' ' GLN . 3.5 mt-30 -40.58 -37.18 0.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.235 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 11.0 ttpp -72.24 -47.16 52.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.696 ' C ' HD23 ' A' ' 184' ' ' LEU . 2.9 tt -57.91 -49.95 74.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 185' ' ' LEU . . . . . 0.681 HD21 ' SD ' ' A' ' 198' ' ' MET . 3.6 mt -48.92 -55.73 10.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.255 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 186' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' A' ' 189' ' ' GLY . 0.4 OUTLIER -59.46 -58.66 7.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.447 1.092 . . . . 0.0 110.302 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -46.75 -31.72 3.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.75 -37.67 76.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.403 1.065 . . . . 0.0 110.275 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 189' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 186' ' ' GLN . . . 75.94 62.13 2.71 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.513 1.133 . . . . 0.0 111.074 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 190' ' ' HIS . . . . . 0.554 ' NE2' HD23 ' A' ' 185' ' ' LEU . 1.4 p80 -156.32 23.83 0.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 0.739 . . . . 0.0 109.571 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -50.14 -47.24 54.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.364 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -86.85 62.3 7.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 193' ' ' SER . . . . . 0.402 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 1.0 OUTLIER -144.68 173.24 4.53 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.01 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 194' ' ' PRO . . . . . 0.402 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.1 Cg_endo -75.04 174.03 13.5 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.495 1.787 . . . . 0.0 110.927 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 195' ' ' LEU . . . . . 0.718 HD21 ' CG1' ' A' ' 148' ' ' VAL . 6.3 tp -65.24 -39.41 92.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -42.26 -35.28 1.77 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.452 1.095 . . . . 0.0 110.983 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 197' ' ' ASP . . . . . 0.489 ' HB3' ' CE1' ' A' ' 190' ' ' HIS . 10.6 t0 -84.58 -36.88 21.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.764 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 198' ' ' MET . . . . . 0.681 ' SD ' HD21 ' A' ' 185' ' ' LEU . 65.1 mmm -54.45 -37.15 64.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 111.029 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 199' ' ' LEU . . . . . 0.681 HD21 HG11 ' A' ' 148' ' ' VAL . 3.6 mm? -83.2 -35.76 25.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.615 1.197 . . . . 0.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.47 -5.16 30.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -103.79 -36.65 7.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 202' ' ' CYS . . . . . 0.585 ' SG ' ' CE1' ' A' ' 144' ' ' TYR . 11.1 m -84.83 -13.27 51.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 108.331 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -58.52 -30.14 66.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.336 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.6 -4.0 51.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.376 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 205' ' ' TRP . . . . . 0.477 ' HB2' ' CD1' ' A' ' 184' ' ' LEU . 27.1 t90 -70.77 61.21 0.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 108.008 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 206' ' ' THR . . . . . . . . . . . . . 10.3 p -134.23 161.57 62.9 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.423 1.077 . . . . 0.0 110.434 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -55.53 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.522 1.801 . . . . 0.0 111.002 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 208' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 73.32 -69.88 0.18 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 68.25 96.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.99 178.95 8.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.398 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 13.3 t -153.05 144.68 23.45 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.438 1.086 . . . . 0.0 110.404 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 4.8 tptp -50.48 142.59 10.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 109.273 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 213' ' ' VAL . . . . . . . . . . . . . 8.8 p -143.92 137.61 24.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.609 1.193 . . . . 0.0 109.272 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 214' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -178.45 171.9 1.53 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.576 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -166.47 175.39 8.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.635 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -147.66 176.2 10.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.397 1.06 . . . . 0.0 109.626 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -144.35 175.72 9.89 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.432 1.082 . . . . 0.0 109.572 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.1 171.51 6.9 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.469 1.105 . . . . 0.0 109.927 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.0 t -167.02 168.88 13.42 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.43 1.081 . . . . 0.0 109.972 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -139.82 -156.54 6.96 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -165.1 175.58 9.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 0.752 . . . . 0.0 109.541 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -165.17 152.48 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -161.48 170.34 20.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 110.309 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 131.1 156.66 8.59 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.446 1.092 . . . . 0.0 111.017 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -156.53 120.85 4.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.408 0.71 . . . . 0.0 110.355 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -179.93 84.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.57 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.704 ' HE1' HD21 ' A' ' 20' ' ' LEU . 2.2 ttt 39.07 89.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 111.043 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 -79.91 156.68 27.17 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.463 1.102 . . . . 0.0 110.298 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.47 -37.19 3.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.172 . . . . 0.0 110.922 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.2 ttpt -54.83 -47.49 74.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -56.79 -58.74 6.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.783 ' HA ' HD12 ' A' ' 23' ' ' ILE . 6.0 mt -53.11 -39.27 63.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -58.82 6.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.79 -38.33 64.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.147 . . . . 0.0 109.264 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.783 HD12 ' HA ' ' A' ' 20' ' ' LEU . 37.5 mt -57.34 -53.36 44.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.149 . . . . 0.0 109.338 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -48.56 -32.38 7.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.346 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.64 -70.95 0.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.572 ' CD ' HG23 ' A' ' 40' ' ' THR . 12.7 pt-20 -46.58 -27.33 1.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 110.319 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.544 HG13 ' CD1' ' A' ' 37' ' ' PHE . 23.9 t -79.07 -51.96 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.257 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.5 p -46.93 -27.23 1.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 109.959 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -72.21 -46.83 54.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.268 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.746 ' HB1' ' HB3' ' A' ' 36' ' ' GLN . . . -44.84 167.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.444 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -98.93 163.03 19.57 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.444 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.5 Cg_endo -74.93 126.17 9.84 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.564 1.823 . . . . 0.0 111.02 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.32 43.59 97.2 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.434 1.084 . . . . 0.0 111.042 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.6 m -129.1 156.65 77.86 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.455 0.738 . . . . 0.0 110.036 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 49.32 2.23 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.49 1.784 . . . . 0.0 110.96 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.746 ' HB3' ' HB1' ' A' ' 30' ' ' ALA . 9.7 tp60 -121.68 -52.94 2.0 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.535 1.147 . . . . 0.0 110.271 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.826 ' CE1' HD11 ' A' ' 41' ' ' ILE . 3.5 t80 -60.05 -59.13 5.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 0.0 110.989 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.405 ' SD ' ' HB2' ' A' ' 122' ' ' ALA . 4.1 tpt -48.33 -40.61 25.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -58.19 -41.66 84.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.572 HG23 ' CD ' ' A' ' 26' ' ' GLU . 29.1 m -63.46 -24.49 67.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.356 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.826 HD11 ' CE1' ' A' ' 37' ' ' PHE . 16.6 mm -71.5 -39.38 70.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.565 ' HA ' HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -70.47 -33.34 71.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 0.0 110.354 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.435 ' O ' ' CG ' ' A' ' 47' ' ' GLN . 54.7 tp -65.14 -32.44 74.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.439 ' HB1' ' CZ ' ' A' ' 48' ' ' PHE . . . -85.5 -44.15 12.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.054 HG11 HD11 ' A' ' 118' ' ' LEU . 0.3 OUTLIER -68.84 -8.5 10.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.3 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.409 ' CB ' ' O ' ' A' ' 42' ' ' ARG . 1.2 tt0 -110.62 -27.79 8.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 110.352 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.435 ' CG ' ' O ' ' A' ' 43' ' ' LEU . 26.8 mt-30 -66.64 -65.44 0.68 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 110.319 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.562 ' CE1' ' HG3' ' A' ' 15' ' ' MET . 17.5 p90 -113.82 -30.45 6.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.168 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 74.32 96.1 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.456 ' HD2' HG23 ' A' ' 45' ' ' VAL . 18.2 Cg_endo -74.98 148.67 35.69 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.49 1.784 . . . . 0.0 110.991 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.3 p -82.71 -176.27 6.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.365 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.68 -50.7 62.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -56.5 -57.47 12.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.438 ' CB ' ' HB2' ' A' ' 50' ' ' PRO . 90.4 m-20 -50.46 -37.1 36.52 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.557 1.161 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.965 HD13 ' CG ' ' A' ' 117' ' ' TRP . 13.0 mt -67.31 -45.93 75.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.221 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -56.46 -52.7 63.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.349 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -64.26 -41.26 97.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 19.3 tp -62.46 -24.27 67.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.351 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.493 HD23 ' CE1' ' A' ' 72' ' ' HIS . 32.2 tp -71.43 -43.53 66.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -79.9 -21.25 44.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.584 1.178 . . . . 0.0 110.28 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -66.18 -57.84 6.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 111.033 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.637 HD13 ' HE1' ' A' ' 37' ' ' PHE . 23.1 mt -98.89 -67.37 0.85 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.347 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.476 ' SG ' ' CG1' ' A' ' 67' ' ' VAL . 0.8 OUTLIER -49.65 148.27 3.06 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.461 1.1 . . . . 0.0 108.289 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.4 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.5 OUTLIER -86.28 156.98 20.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.013 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.773 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 0.5 OUTLIER -39.71 -75.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.047 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.1 tp -44.52 -64.41 0.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.328 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.49 HG13 HD13 ' A' ' 124' ' ' LEU . 1.2 t -41.23 -32.87 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.773 ' HB3' ' O ' ' A' ' 65' ' ' SER . . . -68.03 -64.11 0.93 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 59.6 p -42.87 -37.1 1.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.995 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.452 ' O ' ' NE2' ' A' ' 74' ' ' GLN . 14.0 mt -62.55 -47.52 83.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.345 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.648 ' CE1' ' HB3' ' A' ' 120' ' ' ALA . 3.4 t60 -63.65 -36.69 84.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.601 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.493 ' CE1' HD23 ' A' ' 59' ' ' LEU . 38.7 m80 -52.72 -49.44 65.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.589 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.46 -37.89 87.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.452 ' NE2' ' O ' ' A' ' 70' ' ' LEU . 5.6 mt-30 -58.02 -51.47 69.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.366 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.581 HD22 HD21 ' A' ' 116' ' ' LEU . 3.0 mt -66.31 -36.56 83.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -60.57 -37.13 80.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 42.2 t -81.03 -40.65 23.91 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.423 1.077 . . . . 0.0 110.025 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.702 HD23 ' CG ' ' A' ' 116' ' ' LEU . 5.2 tp -59.35 -61.86 2.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.224 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 2.5 mt -56.07 -43.81 76.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.3 m -48.75 -31.79 7.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.955 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -76.97 -34.16 57.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 110.265 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.831 ' HB1' HG12 ' A' ' 87' ' ' ILE . . . -66.55 -60.28 2.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.31 -28.65 55.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.288 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.9 m -76.01 -47.76 23.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 110.46 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -77.12 -1.31 28.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.113 . . . . 0.0 110.296 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 76.42 96.05 0.17 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.524 1.14 . . . . 0.0 110.972 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.926 HG21 HD11 ' A' ' 109' ' ' LEU . 32.4 mt -64.63 155.01 6.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.753 . . . . 0.0 109.307 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.633 HG23 ' H ' ' A' ' 89' ' ' GLY . 0.1 OUTLIER -35.3 -83.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.534 1.146 . . . . 0.0 110.424 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.633 ' H ' HG23 ' A' ' 88' ' ' THR . . . -129.47 58.81 0.7 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.436 1.085 . . . . 0.0 111.014 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.415 ' CB ' ' HB ' ' A' ' 87' ' ' ILE . 12.3 t80 -81.34 152.48 27.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 0.761 . . . . 0.0 111.074 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.568 ' ND2' HD11 ' A' ' 93' ' ' LEU . 1.1 t-20 -108.35 127.26 27.84 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.432 1.083 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -28.73 8.97 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.465 1.771 . . . . 0.0 110.996 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.871 ' O ' HD22 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -72.68 -12.11 60.9 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.14 . . . . 0.0 109.334 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.764 ' HB3' ' NE2' ' A' ' 100' ' ' GLN . . . -94.87 52.46 1.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 94' ' ' ALA . . . -30.5 -55.62 0.24 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.426 ' CD ' ' N ' ' A' ' 95' ' ' GLY . 18.3 Cg_endo -74.98 81.81 2.13 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.536 1.809 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.868 HD11 HD22 ' A' ' 109' ' ' LEU . 0.3 OUTLIER -47.45 -37.96 12.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.539 1.149 . . . . 0.0 109.321 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.458 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 25.8 ptt180 -48.55 -37.84 18.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.272 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.432 ' N ' ' HG3' ' A' ' 98' ' ' ARG . 37.2 t -64.45 -34.95 72.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.35 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.764 ' NE2' ' HB3' ' A' ' 94' ' ' ALA . 44.4 mt-30 -72.4 -42.67 64.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.421 1.076 . . . . 0.0 110.273 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.1 -24.51 66.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.272 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 98' ' ' ARG . 28.0 p30 -118.69 32.78 5.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.401 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 5.9 m-20 -102.49 137.61 19.43 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 48.86 2.09 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.483 1.781 . . . . 0.0 111.032 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.435 ' CG ' ' N ' ' A' ' 106' ' ' GLN . 8.4 pt20 -156.76 -43.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.266 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.435 ' N ' ' CG ' ' A' ' 105' ' ' GLN . 13.2 mm100 -79.63 116.43 19.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 0.0 110.266 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -114.69 -33.38 5.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -67.9 -55.74 13.04 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.554 1.159 . . . . 0.0 111.013 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.926 HD11 HG21 ' A' ' 87' ' ' ILE . 0.2 OUTLIER -66.74 -36.09 81.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 0.756 . . . . 0.0 109.289 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.51 -48.65 62.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.301 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -70.04 -59.77 2.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.365 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 113' ' ' TYR . 0.1 OUTLIER -44.66 -33.28 1.77 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.211 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.773 ' HE1' HD12 ' A' ' 55' ' ' LEU . 29.8 t80 -68.47 -47.72 66.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.942 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -50.45 -50.08 53.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.53 -50.9 56.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.399 1.062 . . . . 0.0 110.323 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.768 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 0.0 OUTLIER -48.36 -39.59 22.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.965 ' CG ' HD13 ' A' ' 55' ' ' LEU . 34.8 t90 -60.04 -61.82 2.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.533 1.146 . . . . 0.0 108.025 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 1.054 HD11 HG11 ' A' ' 45' ' ' VAL . 98.5 mt -44.68 -28.58 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.261 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.768 ' HB3' ' O ' ' A' ' 116' ' ' LEU . . . -62.3 -62.91 1.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.648 ' HB3' ' CE1' ' A' ' 71' ' ' HIS . . . -56.27 -35.43 67.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.586 1.179 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -67.33 -32.04 72.73 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.528 1.142 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.405 ' HB2' ' SD ' ' A' ' 38' ' ' MET . . . -97.31 7.04 47.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.429 ' HB3' ' OE1' ' A' ' 74' ' ' GLN . . . -101.12 1.62 39.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.371 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.49 HD13 HG13 ' A' ' 67' ' ' VAL . 91.3 mt -76.17 150.84 83.38 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -7.04 18.77 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.463 1.77 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -107.75 -41.1 1.63 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.613 ' O ' ' HB2' ' A' ' 128' ' ' ALA . 0.9 OUTLIER -72.07 64.7 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 0.0 110.043 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.613 ' HB2' ' O ' ' A' ' 127' ' ' SER . . . 169.21 173.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.79 158.68 10.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.136 . . . . 0.0 109.355 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -172.61 100.6 0.35 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 116.15 4.5 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.47 1.774 . . . . 0.0 111.018 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 9.5 m -74.86 -24.24 58.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.11 . . . . 0.0 109.96 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.676 ' HE3' HD21 ' A' ' 172' ' ' LEU . 28.4 p-90 -74.43 -21.25 59.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 108.017 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -70.51 -7.65 45.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.34 26.37 6.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.171 . . . . 0.0 109.963 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.484 HG22 ' HE1' ' A' ' 147' ' ' PHE . 30.1 mt -125.02 125.01 68.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.477 ' N ' HD12 ' A' ' 137' ' ' LEU . 0.0 OUTLIER -145.52 154.28 42.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 138' ' ' GLN . . . . . 0.468 ' NE2' ' O ' ' A' ' 139' ' ' GLY . 0.1 OUTLIER -73.12 120.24 18.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.301 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 139' ' ' GLY . . . . . 0.474 ' CA ' ' HB2' ' A' ' 142' ' ' GLU . . . -80.18 149.56 31.02 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.426 HD22 ' HA ' ' A' ' 140' ' ' LEU . 0.9 OUTLIER -51.5 -47.28 63.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 109.294 179.913 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -110.37 40.37 1.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.474 ' HB2' ' CA ' ' A' ' 139' ' ' GLY . 5.5 mt-10 -114.35 168.66 7.63 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.333 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 143' ' ' PRO . . . . . 0.905 ' HB2' ' HB3' ' A' ' 146' ' ' ALA . 18.2 Cg_endo -75.08 115.37 4.25 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.502 1.791 . . . . 0.0 110.96 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 144' ' ' TYR . . . . . 0.891 ' O ' HG23 ' A' ' 148' ' ' VAL . 1.9 t80 -69.27 -55.57 10.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.16 -58.09 10.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.59 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.905 ' HB3' ' HB2' ' A' ' 143' ' ' PRO . . . -50.61 -50.83 53.07 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 147' ' ' PHE . . . . . 0.496 ' CB ' ' O ' ' A' ' 143' ' ' PRO . 7.1 t80 -47.65 -42.18 23.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.891 HG23 ' O ' ' A' ' 144' ' ' TYR . 18.2 t -65.88 -47.62 84.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 149' ' ' GLU . . . . . 0.409 ' O ' HD12 ' A' ' 153' ' ' ILE . 0.4 OUTLIER -53.14 -54.85 29.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -58.62 -49.22 78.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.608 1.192 . . . . 0.0 110.282 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.808 ' O ' HD12 ' A' ' 155' ' ' LEU . 0.6 OUTLIER -43.54 -38.92 3.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -66.36 -48.35 70.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.167 . . . . 0.0 109.366 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.409 HD12 ' O ' ' A' ' 149' ' ' GLU . 1.3 mp -62.24 -67.62 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -41.3 -34.8 0.54 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 0.808 HD12 ' O ' ' A' ' 151' ' ' LEU . 2.3 mt -66.69 -64.31 0.88 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -46.71 -23.3 0.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 157' ' ' ASN . . . . . 0.427 ' N ' ' C ' ' A' ' 155' ' ' LEU . 0.8 OUTLIER -72.77 -31.8 65.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.25 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 158' ' ' GLY . . . . . 0.568 ' N ' ' O ' ' A' ' 155' ' ' LEU . . . -140.7 56.55 0.6 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.672 HD23 HD23 ' A' ' 155' ' ' LEU . 0.2 OUTLIER -145.93 107.32 4.27 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 109.33 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 159.31 41.4 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.444 1.76 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -66.83 -42.99 84.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.297 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -46.64 -28.98 3.87 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 163' ' ' THR . . . . . 0.521 HG23 ' HD2' ' A' ' 164' ' ' PRO . 1.3 m -110.5 141.27 23.63 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.552 0.795 . . . . 0.0 110.424 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 164' ' ' PRO . . . . . 0.521 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.3 Cg_endo -75.1 142.09 27.13 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 165' ' ' LYS . . . . . 0.495 ' HB2' HD12 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -111.7 -28.46 8.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 109.236 -179.904 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 166' ' ' ASP . . . . . 0.554 ' N ' ' CD ' ' A' ' 167' ' ' PRO . 0.0 OUTLIER -49.36 -49.82 68.57 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.377 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 167' ' ' PRO . . . . . 0.554 ' CD ' ' N ' ' A' ' 166' ' ' ASP . 18.4 Cg_endo -75.03 -44.76 0.31 Allowed 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.498 1.788 . . . . 0.0 111.01 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 168' ' ' ILE . . . . . 0.44 ' CG2' ' CD2' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -54.22 -44.96 66.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 169' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' A' ' 151' ' ' LEU . 36.2 tp -53.94 -57.06 12.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 170' ' ' ARG . . . . . 0.419 ' CZ ' ' HA ' ' A' ' 192' ' ' ASN . 3.7 ttp180 -57.14 -45.15 83.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.414 1.071 . . . . 0.0 110.327 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 171' ' ' SER . . . . . 0.47 ' O ' ' CB ' ' A' ' 175' ' ' SER . 0.1 OUTLIER -62.3 -20.96 64.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.028 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.676 HD21 ' HE3' ' A' ' 133' ' ' TRP . 17.1 mt -86.99 -39.15 15.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.583 1.177 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -71.02 -7.72 48.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 174' ' ' TYR . . . . . 0.449 ' OH ' ' NE2' ' A' ' 186' ' ' GLN . 20.7 t80 -116.0 -63.12 1.5 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.426 1.079 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 175' ' ' SER . . . . . 0.47 ' CB ' ' O ' ' A' ' 171' ' ' SER . 19.8 m -50.0 -44.49 51.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.025 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 176' ' ' ASN . . . . . 0.466 ' HB3' ' CB ' ' A' ' 137' ' ' LEU . 4.7 m-80 -105.13 65.23 0.73 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 177' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 178' ' ' ASN . . . -138.77 141.61 38.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 178' ' ' ASN . . . . . 0.473 ' ND2' ' H ' ' A' ' 181' ' ' CYS . 15.6 p-10 -53.32 -173.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -78.95 -55.59 5.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.0 -36.45 3.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 181' ' ' CYS . . . . . 0.473 ' H ' ' ND2' ' A' ' 178' ' ' ASN . 11.1 t -71.8 -71.7 0.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 108.352 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 182' ' ' GLN . . . . . 0.442 ' NE2' ' CE1' ' A' ' 174' ' ' TYR . 2.5 mt-30 -40.64 -38.11 0.83 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 0.0 110.255 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.65 -46.11 55.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.579 1.175 . . . . 0.0 109.339 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.696 ' C ' HD23 ' A' ' 184' ' ' LEU . 3.0 tt -55.82 -53.0 62.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 185' ' ' LEU . . . . . 0.924 HD11 ' SD ' ' A' ' 198' ' ' MET . 10.7 mt -49.31 -50.17 40.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.252 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 186' ' ' GLN . . . . . 0.449 ' NE2' ' OH ' ' A' ' 174' ' ' TYR . 0.5 OUTLIER -59.51 -60.75 3.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.337 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -49.71 -45.93 49.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 188' ' ' ARG . . . . . 0.512 ' HD2' ' HB1' ' A' ' 201' ' ' ALA . 1.2 tpm_? -49.44 -48.23 47.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 110.36 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 109.14 44.44 1.09 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.554 1.159 . . . . 0.0 111.051 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 190' ' ' HIS . . . . . 0.54 ' CD2' ' HB3' ' A' ' 197' ' ' ASP . 0.0 OUTLIER -174.18 117.09 0.22 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.409 0.711 . . . . 0.0 109.604 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 2.0 p -120.45 -54.66 2.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 110.364 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 192' ' ' ASN . . . . . 0.419 ' HA ' ' CZ ' ' A' ' 170' ' ' ARG . 3.7 m-80 -92.39 43.88 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 193' ' ' SER . . . . . 0.47 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.2 OUTLIER -104.38 176.83 1.59 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.026 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 194' ' ' PRO . . . . . 0.47 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.5 Cg_endo -74.98 144.83 30.81 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.555 1.818 . . . . 0.0 111.049 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 195' ' ' LEU . . . . . 0.718 HD21 ' CG1' ' A' ' 148' ' ' VAL . 3.8 tp -41.89 -37.89 1.41 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -46.98 -40.1 12.26 Favored Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.58 1.175 . . . . 0.0 110.989 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 197' ' ' ASP . . . . . 0.54 ' HB3' ' CD2' ' A' ' 190' ' ' HIS . 1.0 OUTLIER -77.6 -38.35 48.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 0.779 . . . . 0.0 109.3 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 198' ' ' MET . . . . . 0.924 ' SD ' HD11 ' A' ' 185' ' ' LEU . 36.4 tpp -53.31 -51.46 62.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 199' ' ' LEU . . . . . 0.517 HD21 HG11 ' A' ' 148' ' ' VAL . 3.2 mm? -68.99 -29.08 67.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.51 -7.57 56.45 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.532 1.145 . . . . 0.0 110.336 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ALA . . . . . 0.512 ' HB1' ' HD2' ' A' ' 188' ' ' ARG . . . -97.24 -41.14 8.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.583 1.177 . . . . 0.0 109.349 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 202' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 204' ' ' THR . 20.3 p -79.62 -24.06 42.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 108.334 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 203' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 202' ' ' CYS . 15.6 pt20 -37.62 -31.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 204' ' ' THR . . . . . 0.488 HG23 ' N ' ' A' ' 205' ' ' TRP . 4.6 t -114.24 -54.09 2.61 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.454 1.096 . . . . 0.0 110.384 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 205' ' ' TRP . . . . . 0.629 ' HA ' HD11 ' A' ' 184' ' ' LEU . 5.1 t90 40.09 54.47 2.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 108.006 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 206' ' ' THR . . . . . 0.42 ' OG1' ' OG1' ' A' ' 204' ' ' THR . 0.2 OUTLIER -146.86 151.27 41.61 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.408 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 154.25 42.3 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.448 1.762 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 208' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.92 -57.41 2.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.51 175.99 1.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 1.1 mtpm? -125.14 142.83 51.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 109.285 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 7.2 t -126.36 143.75 51.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.573 1.171 . . . . 0.0 110.412 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.85 137.65 33.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.582 1.176 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 213' ' ' VAL . . . . . 0.435 ' O ' HG12 ' A' ' 213' ' ' VAL . 87.1 t -121.81 72.1 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 214' ' ' LEU . . . . . . . . . . . . . 7.1 tt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.416 1.073 . . . . 0.0 109.223 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 13.4 p-80 -174.89 164.05 3.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.615 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 55.9 p-80 -175.4 166.76 3.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.102 . . . . 0.0 109.616 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -175.97 155.6 1.63 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.1 . . . . 0.0 109.577 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 66.0 t60 -175.77 143.74 0.6 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 109.593 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.3 p -177.49 157.99 1.35 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 109.98 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.18 169.11 0.99 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.02 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 144.22 138.87 3.41 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.531 1.144 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -179.3 158.79 0.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 0.747 . . . . 0.0 109.642 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.659 HD13 ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -172.9 147.08 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 109.285 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.659 ' N ' HD13 ' A' ' 10' ' ' ILE . 3.9 tt0 -174.74 174.09 2.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.411 1.069 . . . . 0.0 110.358 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -135.13 -151.27 6.22 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.533 1.145 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -161.69 100.01 1.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 0.767 . . . . 0.0 110.313 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -177.66 64.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.63 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.589 ' SD ' ' CZ ' ' A' ' 48' ' ' PHE . 1.0 OUTLIER 40.15 88.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.079 . . . . 0.0 110.981 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.5 pm0 -102.4 159.26 15.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 110.286 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -43.17 -27.34 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.22 -48.78 72.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.361 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -57.88 -59.52 5.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.58 ' CD2' HD13 ' A' ' 58' ' ' LEU . 33.1 mt -46.64 -43.82 17.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -57.01 -58.69 7.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.77 -43.65 69.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.348 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.427 ' HA ' ' CG ' ' A' ' 26' ' ' GLU . 91.2 mt -56.51 -58.16 6.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.464 ' HA ' HD21 ' A' ' 62' ' ' LEU . 1.1 ttmt -45.08 -30.77 1.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -72.69 -69.85 0.38 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.557 ' CD ' HG23 ' A' ' 40' ' ' THR . 4.7 pt-20 -48.75 -23.02 0.91 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 0.0 110.266 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.738 HG23 HG21 ' A' ' 40' ' ' THR . 36.2 t -82.96 -39.29 15.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.532 1.145 . . . . 0.0 109.26 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.26 -26.39 67.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.979 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.67 -34.75 52.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 110.306 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.588 ' HB1' ' HB3' ' A' ' 36' ' ' GLN . . . -52.37 166.71 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.457 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -110.19 162.98 18.29 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.457 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.4 Cg_endo -74.93 116.6 4.64 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.612 1.848 . . . . 0.0 111.034 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.17 42.93 11.24 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.528 1.143 . . . . 0.0 111.026 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.2 m -135.51 151.04 73.88 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.469 0.747 . . . . 0.0 109.926 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 50.76 2.61 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.555 1.818 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.588 ' HB3' ' HB1' ' A' ' 30' ' ' ALA . 0.5 OUTLIER -121.32 -46.16 2.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.319 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -68.51 -65.25 0.72 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.447 ' HE1' HD22 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -50.33 -48.3 55.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.379 1.05 . . . . 0.0 111.054 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -51.68 -46.93 64.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.738 HG21 HG23 ' A' ' 27' ' ' VAL . 1.0 OUTLIER -55.42 -30.64 60.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.424 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.74 HG22 HD21 ' A' ' 118' ' ' LEU . 2.7 mm -72.8 -32.11 39.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.455 ' HD2' HD13 ' A' ' 118' ' ' LEU . 6.1 mmm180 -80.76 -30.31 36.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.273 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.8 tp -71.04 -33.99 70.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.576 1.172 . . . . 0.0 109.272 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.45 ' HB1' ' CZ ' ' A' ' 48' ' ' PHE . . . -75.43 -38.66 59.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.265 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.2 t -69.37 -17.15 21.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.324 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -102.29 -22.61 14.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.416 ' CA ' ' OE1' ' A' ' 47' ' ' GLN . 0.3 OUTLIER -69.96 -68.45 0.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 110.312 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.589 ' CZ ' ' SD ' ' A' ' 15' ' ' MET . 8.7 p90 -114.21 -33.22 5.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' A' ' 48' ' ' PHE . 0.5 OUTLIER 81.75 94.9 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 109.261 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 120.6 6.12 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.521 1.8 . . . . 0.0 111.004 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.6 p -59.21 -175.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.387 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.78 -45.12 95.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -55.94 -55.27 34.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -52.88 -52.93 55.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.257 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 1.076 HD13 ' CG ' ' A' ' 117' ' ' TRP . 17.4 mt -48.39 -38.74 20.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.1 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.64 -57.88 10.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 110.318 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.424 ' C ' ' N ' ' A' ' 59' ' ' LEU . 44.8 t0 -63.4 -55.29 25.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.58 HD13 ' CD2' ' A' ' 20' ' ' LEU . 34.6 tp -42.6 -28.3 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.424 ' N ' ' C ' ' A' ' 57' ' ' ASP . 19.8 tp -73.34 -51.91 15.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.487 ' OE1' ' CB ' ' A' ' 68' ' ' ALA . 1.1 tp-100 -87.94 22.45 2.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 88.5 t80 -120.05 -31.99 4.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.94 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.529 HD23 ' HA ' ' A' ' 62' ' ' LEU . 8.4 mt -101.67 -63.84 1.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.35 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 28.4 p -88.69 162.07 16.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.082 . . . . 0.0 108.371 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.69 -160.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.02 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.43 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 46.7 t -85.71 -43.5 13.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 110.059 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.3 tp -49.52 -71.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -46.96 -46.54 8.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.228 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.487 ' CB ' ' OE1' ' A' ' 60' ' ' GLN . . . -48.8 -46.16 41.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.3 p -67.07 -43.08 83.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.585 1.178 . . . . 0.0 110.01 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 71.1 mt -54.99 -51.48 66.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.337 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.811 ' CD2' ' HB3' ' A' ' 120' ' ' ALA . 0.0 OUTLIER -53.79 -46.5 71.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.558 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -19.42 43.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.604 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -73.33 -66.24 0.71 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.331 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.38 -27.19 69.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.731 HD13 ' O ' ' A' ' 75' ' ' LEU . 1.9 tm? -71.72 -32.72 68.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 109.233 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -66.57 -50.04 64.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 109.297 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.62 -47.86 83.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 110.016 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.72 HD23 ' HG ' ' A' ' 116' ' ' LEU . 24.3 tp -49.39 -49.28 45.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.603 HD12 HD13 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -56.26 -48.82 78.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.9 t -46.29 -29.24 1.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.08 . . . . 0.0 109.996 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -77.04 -38.89 51.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.304 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.761 ' HB1' HG12 ' A' ' 87' ' ' ILE . . . -65.16 -61.06 2.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -52.06 -33.93 41.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.226 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.5 m -63.04 -42.46 99.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 110.418 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -81.14 -0.52 40.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.258 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 87' ' ' ILE . . . 84.04 -11.23 58.16 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.427 1.079 . . . . 0.0 110.958 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.873 HG21 HD11 ' A' ' 109' ' ' LEU . 38.5 mt 59.73 154.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 0.767 . . . . 0.0 109.317 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.656 HG23 ' H ' ' A' ' 89' ' ' GLY . 0.1 OUTLIER -36.42 -82.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.426 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.656 ' H ' HG23 ' A' ' 88' ' ' THR . . . -131.51 57.48 0.72 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.538 1.149 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.454 ' CB ' ' HB ' ' A' ' 87' ' ' ILE . 84.1 t80 -86.07 143.53 28.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.612 0.831 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.511 ' OD1' HD12 ' A' ' 93' ' ' LEU . 3.3 m-20 -110.49 99.75 42.23 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 -19.58 17.52 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.499 1.789 . . . . 0.0 110.943 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.909 HD13 ' N ' ' A' ' 94' ' ' ALA . 0.0 OUTLIER -60.16 -35.52 75.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.407 1.067 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.909 ' N ' HD13 ' A' ' 93' ' ' LEU . . . -58.51 -68.23 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.24 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.431 ' N ' ' CD ' ' A' ' 96' ' ' PRO . . . 134.96 -55.24 0.73 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.455 1.097 . . . . 0.0 110.936 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.431 ' CD ' ' N ' ' A' ' 95' ' ' GLY . 18.3 Cg_endo -74.96 171.09 18.99 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.467 1.772 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 100' ' ' GLN . 14.0 tp -119.99 -53.82 2.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.457 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 0.0 OUTLIER -49.57 -33.05 13.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.348 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 15.4 t -62.3 -28.18 44.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.428 1.08 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 97' ' ' LEU . 10.7 mm-40 -82.37 -32.83 29.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.395 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.456 ' HB2' ' CD2' ' A' ' 113' ' ' TYR . . . -71.25 -44.76 64.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 98' ' ' ARG . 24.0 p30 -94.94 32.09 1.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -105.4 124.24 37.0 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.167 . . . . 0.0 109.283 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -16.98 19.81 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.477 1.777 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -73.43 -16.18 61.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -149.64 79.73 1.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.259 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -69.05 -8.74 47.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 110.293 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -61.88 -57.69 16.28 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.873 HD11 HG21 ' A' ' 87' ' ' ILE . 0.4 OUTLIER -67.33 -29.74 69.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 0.805 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -55.36 -43.59 75.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -72.94 -43.32 62.48 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.477 1.11 . . . . 0.0 110.272 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -57.69 -40.18 78.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.257 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.456 ' CD2' ' HB2' ' A' ' 101' ' ' ALA . 26.4 t80 -65.94 -40.87 91.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -57.93 -42.46 84.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 110.318 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -76.22 -45.27 33.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 110.333 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.72 ' HG ' HD23 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -56.18 -36.4 68.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 1.076 ' CG ' HD13 ' A' ' 55' ' ' LEU . 90.5 t90 -67.09 -47.4 71.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 107.97 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.74 HD21 HG22 ' A' ' 41' ' ' ILE . 84.4 mt -60.15 -33.05 71.63 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.477 1.11 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 116' ' ' LEU . . . -58.44 -48.01 82.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.811 ' HB3' ' CD2' ' A' ' 71' ' ' HIS . . . -67.24 -30.42 70.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.535 ' CE1' ' CZ2' ' A' ' 117' ' ' TRP . 0.4 OUTLIER -72.19 -17.77 61.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.425 1.078 . . . . 0.0 111.031 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -117.64 6.71 12.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -99.32 -1.73 38.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 77.2 mt -63.02 151.14 86.79 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.27 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -3.17 13.53 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.541 1.811 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.426 ' O ' ' N ' ' A' ' 128' ' ' ALA . . . -177.22 65.37 0.09 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.454 1.096 . . . . 0.0 110.939 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.667 ' O ' ' HB2' ' A' ' 128' ' ' ALA . 93.7 p -67.0 69.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 0.726 . . . . 0.0 110.012 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.667 ' HB2' ' O ' ' A' ' 127' ' ' SER . . . 164.46 -169.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.43 ' O ' ' CB ' ' A' ' 32' ' ' PRO . 0.0 OUTLIER -155.41 -163.24 1.49 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.588 1.18 . . . . 0.0 109.343 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 176.07 79.28 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.583 1.177 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.455 ' O ' ' HB3' ' A' ' 134' ' ' ALA . 18.2 Cg_endo -75.0 117.13 4.8 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.42 1.747 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.5 m -74.36 -29.44 61.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.989 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.857 ' HA ' HD12 ' A' ' 136' ' ' ILE . 13.2 p-90 -70.87 -10.12 58.99 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 131' ' ' PRO . . . -68.61 -11.14 59.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.579 1.174 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 24.7 m -129.84 28.95 5.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.048 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.857 HD12 ' HA ' ' A' ' 133' ' ' TRP . 39.6 mt -117.23 118.36 58.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.504 HD23 ' HA ' ' A' ' 176' ' ' ASN . 0.0 OUTLIER -138.12 146.85 43.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 138' ' ' GLN . . . . . 0.608 ' OE1' ' CD2' ' A' ' 144' ' ' TYR . 0.3 OUTLIER -66.74 127.12 31.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.31 -179.907 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 139' ' ' GLY . . . . . 0.434 ' O ' ' NE2' ' A' ' 138' ' ' GLN . . . -91.26 135.76 12.97 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.627 HD22 ' OD1' ' A' ' 178' ' ' ASN . 0.0 OUTLIER -49.38 -42.69 42.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 0.0 109.342 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -95.83 38.16 1.18 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -136.28 159.98 68.7 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.42 1.075 . . . . 0.0 110.269 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' PRO . . . . . 0.526 ' HB2' ' HB3' ' A' ' 146' ' ' ALA . 18.3 Cg_endo -75.02 116.61 4.64 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.469 1.773 . . . . 0.0 111.031 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' TYR . . . . . 0.773 ' O ' HG23 ' A' ' 148' ' ' VAL . 0.4 OUTLIER -66.35 -54.58 22.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.408 1.067 . . . . 0.0 111.044 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 145' ' ' HIS . . . . . 0.468 ' HA ' ' CD1' ' A' ' 199' ' ' LEU . 0.2 OUTLIER -52.9 -47.61 67.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.553 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.526 ' HB3' ' HB2' ' A' ' 143' ' ' PRO . . . -62.53 -41.14 98.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.09 . . . . 0.0 109.335 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 147' ' ' PHE . . . . . 0.574 ' CE2' ' HB2' ' A' ' 138' ' ' GLN . 3.1 t80 -61.53 -50.28 73.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.773 HG23 ' O ' ' A' ' 144' ' ' TYR . 46.0 t -48.98 -40.76 12.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.118 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -66.44 -65.06 0.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.407 1.067 . . . . 0.0 110.367 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.49 ' HA ' HD12 ' A' ' 153' ' ' ILE . 0.6 OUTLIER -45.59 -37.98 6.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.72 HD11 ' HB3' ' A' ' 172' ' ' LEU . 0.2 OUTLIER -59.78 -47.78 84.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 -64.84 -37.34 87.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.35 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.49 HD12 ' HA ' ' A' ' 150' ' ' ARG . 26.1 mt -62.33 -57.61 11.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.38 1.05 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -56.03 -21.61 22.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.575 1.172 . . . . 0.0 109.35 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 0.765 HD23 HD23 ' A' ' 159' ' ' LEU . 5.8 mt -86.28 -20.73 27.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -83.57 -13.03 55.36 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -113.14 -9.6 13.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.226 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -121.94 -43.91 0.39 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.453 1.096 . . . . 0.0 111.019 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.765 HD23 HD23 ' A' ' 155' ' ' LEU . 0.2 OUTLIER -79.85 114.42 46.03 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.486 0.756 . . . . 0.0 109.29 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 160' ' ' PRO . . . . . 0.56 ' HD2' HD13 ' A' ' 159' ' ' LEU . 18.3 Cg_endo -75.15 174.16 13.27 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.473 1.775 . . . . 0.0 110.958 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.53 -17.97 46.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 110.268 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -82.34 1.69 86.74 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.489 1.118 . . . . 0.0 111.035 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 163' ' ' THR . . . . . 0.738 HG23 ' HD2' ' A' ' 164' ' ' PRO . 2.9 m -129.0 146.16 59.57 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.494 0.761 . . . . 0.0 110.424 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 164' ' ' PRO . . . . . 0.738 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.1 Cg_endo -75.05 113.63 3.84 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.504 1.792 . . . . 0.0 110.952 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 165' ' ' LYS . . . . . 0.546 ' HB2' HD12 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -101.67 -32.35 10.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 166' ' ' ASP . . . . . 0.518 ' CB ' ' HD3' ' A' ' 167' ' ' PRO . 0.2 OUTLIER -43.11 -53.67 10.32 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 -179.894 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 167' ' ' PRO . . . . . 0.518 ' HD3' ' CB ' ' A' ' 166' ' ' ASP . 18.4 Cg_endo -74.94 -50.02 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.498 1.788 . . . . 0.0 111.065 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 168' ' ' ILE . . . . . 0.536 ' CD1' HD21 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -45.4 -39.81 2.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 21.4 tp -59.24 -64.08 1.07 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.15 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 170' ' ' ARG . . . . . 0.434 ' CD ' ' O ' ' A' ' 166' ' ' ASP . 9.7 mpt_? -51.39 -34.91 36.43 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 0.0 110.301 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.29 -29.63 65.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.081 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.72 ' HB3' HD11 ' A' ' 151' ' ' LEU . 5.2 mt -79.03 -45.52 20.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.357 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 173' ' ' ALA . . . . . 0.671 ' O ' ' HB2' ' A' ' 177' ' ' ALA . . . -70.58 -9.95 58.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 109.236 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 174' ' ' TYR . . . . . 0.428 ' O ' ' CG ' ' A' ' 182' ' ' GLN . 61.1 t80 -99.02 -69.08 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.654 1.221 . . . . 0.0 111.027 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.63 -49.43 77.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 110.06 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 176' ' ' ASN . . . . . 0.504 ' HA ' HD23 ' A' ' 137' ' ' LEU . 0.9 OUTLIER -89.61 57.06 3.78 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.45 1.094 . . . . 0.0 109.326 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 177' ' ' ALA . . . . . 0.671 ' HB2' ' O ' ' A' ' 173' ' ' ALA . . . -133.68 139.88 46.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.237 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 178' ' ' ASN . . . . . 0.627 ' OD1' HD22 ' A' ' 140' ' ' LEU . 14.8 t30 -40.06 158.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.451 ' N ' ' OD1' ' A' ' 178' ' ' ASN . 0.3 OUTLIER -64.57 -42.77 95.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 180' ' ' GLU . . . . . 0.424 ' HB3' ' ND2' ' A' ' 178' ' ' ASN . 0.5 OUTLIER -68.5 -23.32 64.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.265 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 181' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 184' ' ' LEU . 39.4 m -79.47 -64.13 1.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 108.261 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 182' ' ' GLN . . . . . 0.428 ' CG ' ' O ' ' A' ' 174' ' ' TYR . 1.6 mt-30 -41.43 -33.52 0.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.241 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -75.22 -47.18 29.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.265 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.753 HD23 ' O ' ' A' ' 184' ' ' LEU . 1.5 tt -52.3 -33.67 43.26 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.579 1.175 . . . . 0.0 109.334 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 185' ' ' LEU . . . . . 0.922 HD11 ' SD ' ' A' ' 198' ' ' MET . 6.0 mt -68.67 -63.14 1.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.086 . . . . 0.0 109.308 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 186' ' ' GLN . . . . . 0.77 ' OE1' HG21 ' A' ' 191' ' ' THR . 1.9 mm100 -50.06 -52.75 31.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.288 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -50.62 -50.04 55.19 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.468 1.105 . . . . 0.0 109.241 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 188' ' ' ARG . . . . . 0.474 ' HG3' ' CD2' ' A' ' 184' ' ' LEU . 0.2 OUTLIER -57.91 -17.66 18.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 61.29 44.29 98.27 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.467 1.104 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 190' ' ' HIS . . . . . 0.75 ' NE2' HD23 ' A' ' 185' ' ' LEU . 1.0 OUTLIER -139.5 36.85 2.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.758 . . . . 0.0 109.549 -179.899 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 191' ' ' THR . . . . . 0.77 HG21 ' OE1' ' A' ' 186' ' ' GLN . 0.8 OUTLIER -60.31 -46.3 90.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.392 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -91.77 63.8 4.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.241 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 193' ' ' SER . . . . . 0.438 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.4 OUTLIER -137.19 175.39 3.51 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.032 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 194' ' ' PRO . . . . . 0.438 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.5 Cg_endo -74.98 -174.28 1.87 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.509 1.794 . . . . 0.0 110.993 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 195' ' ' LEU . . . . . 0.707 HD21 HG12 ' A' ' 148' ' ' VAL . 8.8 tp -75.67 -42.36 51.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -43.92 -36.31 3.7 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.487 1.117 . . . . 0.0 111.036 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 197' ' ' ASP . . . . . 0.491 ' HB3' ' CE1' ' A' ' 190' ' ' HIS . 16.7 t0 -78.17 -36.05 47.99 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.497 0.763 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 198' ' ' MET . . . . . 0.922 ' SD ' HD11 ' A' ' 185' ' ' LEU . 44.6 tpp -57.43 -32.94 67.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.985 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 199' ' ' LEU . . . . . 0.468 ' CD1' ' HA ' ' A' ' 145' ' ' HIS . 2.0 mm? -83.03 -31.05 27.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 9.9 mtp180 -75.4 -8.96 58.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -100.92 -32.4 10.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.345 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 202' ' ' CYS . . . . . 0.567 ' HB2' ' CD2' ' A' ' 144' ' ' TYR . 9.3 p -87.6 -16.35 34.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 108.289 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 203' ' ' GLN . . . . . 0.421 ' HG3' ' N ' ' A' ' 204' ' ' THR . 11.8 pt20 -53.05 -42.38 65.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.363 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 204' ' ' THR . . . . . 0.429 ' O ' ' N ' ' A' ' 206' ' ' THR . 0.0 OUTLIER -83.08 -10.35 58.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 110.415 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 205' ' ' TRP . . . . . 0.482 ' HB2' ' CD1' ' A' ' 184' ' ' LEU . 16.6 t90 -71.05 61.16 0.27 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 206' ' ' THR . . . . . 0.429 ' N ' ' O ' ' A' ' 204' ' ' THR . 7.8 t -133.02 145.79 58.5 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.41 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 155.73 43.0 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.46 1.768 . . . . 0.0 111.01 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 208' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt 57.37 102.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.63 174.21 11.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 7.9 pttt -118.33 -45.31 2.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 17.0 p -81.68 137.29 35.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.429 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 3.4 tttt -87.94 -64.94 1.07 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 213' ' ' VAL . . . . . . . . . . . . . 78.3 t -132.41 -62.68 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 214' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -159.52 174.81 14.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 109.604 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -168.5 174.79 6.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.42 1.075 . . . . 0.0 109.66 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -174.07 174.87 2.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.62 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 12.5 p-80 -172.78 174.7 3.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.55 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.97 168.87 0.74 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.939 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.93 170.44 0.7 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.035 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -175.94 171.78 44.81 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.503 1.127 . . . . 0.0 110.962 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -178.83 174.83 1.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 0.747 . . . . 0.0 109.673 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.8 pt -137.46 177.05 6.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.263 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -125.72 -59.69 1.34 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.528 1.143 . . . . 0.0 110.25 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.55 -142.31 10.07 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.45 1.094 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.6 100.33 4.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 0.741 . . . . 0.0 110.295 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -176.33 63.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 109.612 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.68 ' HE1' HD21 ' A' ' 20' ' ' LEU . 2.9 ttt 53.79 100.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.457 1.098 . . . . 0.0 111.029 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.446 ' HG3' ' N ' ' A' ' 17' ' ' MET . 26.2 tp60 -79.8 145.44 32.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.142 . . . . 0.0 110.279 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.446 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -42.14 -39.91 2.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 110.978 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 pttp -58.09 -45.65 86.81 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.559 1.162 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 16' ' ' GLN . 13.5 m-20 -51.98 -49.1 63.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.792 ' HA ' HD12 ' A' ' 23' ' ' ILE . 6.4 mt -63.14 -29.01 70.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.443 ' NE2' ' O ' ' A' ' 17' ' ' MET . 1.0 OUTLIER -70.92 -48.93 50.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.7 -33.1 71.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.792 HD12 ' HA ' ' A' ' 20' ' ' LEU . 22.9 mt -66.94 -57.74 8.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 0.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.52 ' HA ' HD21 ' A' ' 62' ' ' LEU . 20.4 tttm -45.55 -26.26 0.56 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.42 ' N ' ' C ' ' A' ' 23' ' ' ILE . 0.6 OUTLIER -74.03 -67.96 0.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.284 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.694 ' CD ' HG23 ' A' ' 40' ' ' THR . 3.5 pt-20 -53.61 -21.19 6.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.333 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.555 HG13 ' CD1' ' A' ' 37' ' ' PHE . 45.1 t -80.86 -47.36 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.353 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.5 t -49.22 -33.33 12.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.982 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.44 -35.57 73.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 27' ' ' VAL . . . -48.73 167.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.736 ' HB3' ' HB2' ' A' ' 34' ' ' SER . . . -95.68 162.43 24.29 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.448 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.1 Cg_endo -75.03 107.42 2.48 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.508 1.794 . . . . 0.0 110.937 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 69.6 46.96 52.47 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.57 1.169 . . . . 0.0 111.037 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.736 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -126.9 160.07 61.07 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 109.961 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 48.91 2.11 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.535 1.808 . . . . 0.0 111.036 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -121.67 -51.85 2.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.272 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.708 ' CE1' HD11 ' A' ' 41' ' ' ILE . 5.2 t80 -58.93 -56.77 17.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.171 . . . . 0.0 110.964 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.44 ' CE ' HD22 ' A' ' 118' ' ' LEU . 2.9 tpt -51.03 -40.69 58.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.171 . . . . 0.0 111.013 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -57.75 -39.44 77.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.694 HG23 ' CD ' ' A' ' 26' ' ' GLU . 1.1 m -66.04 -26.41 67.5 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.571 1.169 . . . . 0.0 110.41 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.797 HG22 HD21 ' A' ' 118' ' ' LEU . 21.9 mm -67.92 -40.57 83.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.359 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.42 ' CD ' HD13 ' A' ' 118' ' ' LEU . 3.2 mpp_? -69.12 -34.44 75.05 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.493 1.121 . . . . 0.0 110.315 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 35.1 tp -63.35 -44.66 94.21 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.54 -50.78 41.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 109.253 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.821 HG11 HD11 ' A' ' 118' ' ' LEU . 0.3 OUTLIER -58.68 -17.27 10.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.474 1.109 . . . . 0.0 109.261 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -96.43 -22.46 17.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 110.318 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -69.34 -70.21 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.28 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.569 ' CZ ' ' HG3' ' A' ' 15' ' ' MET . 9.5 p90 -111.64 -34.57 6.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.085 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.513 ' CB ' ' O ' ' A' ' 48' ' ' PHE . 2.4 t70 82.94 91.72 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.271 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.61 ' HD2' HG23 ' A' ' 45' ' ' VAL . 18.3 Cg_endo -74.99 128.17 11.28 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.522 1.801 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.427 ' OG1' ' N ' ' A' ' 52' ' ' ALA . 7.7 t -69.09 -173.81 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 110.375 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.427 ' N ' ' OG1' ' A' ' 51' ' ' THR . . . -54.91 -48.35 73.18 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.443 1.09 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.4 -58.34 7.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.315 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -56.67 -49.42 75.12 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 1.071 HD13 ' CG ' ' A' ' 117' ' ' TRP . 18.0 mt -53.07 -32.39 46.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.413 ' HA ' ' OE1' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -61.62 -63.58 1.22 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.472 1.107 . . . . 0.0 110.34 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.481 ' O ' ' CB ' ' A' ' 61' ' ' TYR . 0.1 OUTLIER -56.82 -45.16 82.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 0.0 109.349 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.1 tp -52.77 -25.17 10.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 20.3 tp -77.19 -52.5 9.14 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.36 24.28 2.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.481 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 50.0 t80 -120.51 -44.87 2.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 110.988 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.52 HD21 ' HA ' ' A' ' 24' ' ' LYS . 5.0 mt -106.32 -61.21 1.55 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.483 ' HB3' ' CG1' ' A' ' 67' ' ' VAL . 8.8 m -59.84 168.08 1.92 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 108.32 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 78.9 p -92.51 175.88 6.66 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.612 1.195 . . . . 0.0 109.996 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.412 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 30.4 t -59.78 -68.68 0.26 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.134 . . . . 0.0 110.011 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.41 HD12 HD11 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -42.84 -55.79 3.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.348 179.916 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.483 ' CG1' ' HB3' ' A' ' 63' ' ' CYS . 2.1 t -47.81 -49.0 11.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 65' ' ' SER . . . -56.07 -40.77 74.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.1 m -65.7 -43.42 89.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.009 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.41 HD11 HD12 ' A' ' 66' ' ' LEU . 59.0 mt -60.99 -56.19 24.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.238 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.683 ' CD2' ' HB3' ' A' ' 120' ' ' ALA . 0.4 OUTLIER -54.16 -49.95 68.11 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 109.626 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -46.71 -43.16 17.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.684 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.63 -61.61 2.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.584 1.177 . . . . 0.0 110.272 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.494 ' OE1' ' CB ' ' A' ' 123' ' ' ALA . 2.8 mt-30 -52.41 -30.36 28.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 110.341 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.727 HD13 ' CD1' ' A' ' 79' ' ' ILE . 0.2 OUTLIER -66.93 -49.53 65.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -54.8 -48.05 73.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 33.7 t -67.59 -27.55 67.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 110.0 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.907 HD23 ' HG ' ' A' ' 116' ' ' LEU . 0.9 OUTLIER -66.32 -68.65 0.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.246 -179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.763 ' CG1' HD22 ' A' ' 97' ' ' LEU . 1.5 mp -44.73 -45.3 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.426 1.079 . . . . 0.0 109.219 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.406 ' O ' ' CB ' ' A' ' 84' ' ' THR . 33.2 t -51.09 -36.81 42.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.942 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 78' ' ' LEU . 5.9 tt0 -69.71 -41.19 75.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.31 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.403 ' HB1' ' CG1' ' A' ' 87' ' ' ILE . . . -61.31 -56.61 18.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.407 1.067 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.411 ' HG2' ' CE2' ' A' ' 90' ' ' TYR . 9.9 mt-10 -60.15 -44.42 95.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.302 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.406 ' CB ' ' O ' ' A' ' 80' ' ' SER . 5.5 m -58.05 -47.52 82.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.434 1.084 . . . . 0.0 110.432 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.26 -2.85 23.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 68.1 82.68 0.16 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.493 1.12 . . . . 0.0 111.008 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.471 ' CG2' ' N ' ' A' ' 88' ' ' THR . 8.1 mt -43.93 164.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.475 0.75 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.517 HG23 ' N ' ' A' ' 89' ' ' GLY . 7.7 t -72.69 -54.59 8.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.393 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.517 ' N ' HG23 ' A' ' 88' ' ' THR . . . -133.85 71.2 0.5 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.509 1.131 . . . . 0.0 110.966 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.576 ' CG ' ' N ' ' A' ' 91' ' ' ASN . 49.4 t80 -112.55 172.95 6.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 0.771 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.775 ' HB2' HD12 ' A' ' 93' ' ' LEU . 12.6 p-10 -136.09 122.0 13.74 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 1.64 7.51 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.47 1.774 . . . . 0.0 110.965 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.971 ' O ' HD22 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -95.67 -7.16 38.24 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.744 ' N ' HD13 ' A' ' 93' ' ' LEU . . . -109.83 59.87 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.079 . . . . 0.0 109.381 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.493 ' C ' ' O ' ' A' ' 94' ' ' ALA . . . -30.36 -55.4 0.23 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.529 1.143 . . . . 0.0 111.077 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.412 ' CD ' ' N ' ' A' ' 95' ' ' GLY . 18.1 Cg_endo -75.12 99.63 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.484 1.781 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.763 HD22 ' CG1' ' A' ' 79' ' ' ILE . 8.3 tp -60.26 -15.21 22.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.452 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 36.3 ptt-85 -76.66 0.61 19.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 18.9 t -96.83 -55.16 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.566 ' NE2' ' HB3' ' A' ' 94' ' ' ALA . 6.5 pm0 -75.85 -0.05 19.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.34 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -94.68 -19.46 20.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.22 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 98' ' ' ARG . 10.2 m-20 -94.06 -5.12 48.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 109.349 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.413 ' ND2' ' HB2' ' A' ' 105' ' ' GLN . 34.0 t30 -88.24 119.79 70.38 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -4.77 15.9 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.493 1.786 . . . . 0.0 111.0 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.413 ' HB2' ' ND2' ' A' ' 103' ' ' ASN . 4.7 mm100 -67.31 -51.52 51.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.591 1.182 . . . . 0.0 110.318 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.518 ' NE2' ' HB2' ' A' ' 100' ' ' GLN . 3.3 pt20 -100.13 71.82 1.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.289 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -14.04 15.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.423 1.077 . . . . 0.0 110.3 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -60.85 -57.29 19.57 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.511 1.132 . . . . 0.0 110.94 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.414 ' CD1' HG21 ' A' ' 87' ' ' ILE . 0.8 OUTLIER -75.2 -45.58 39.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 0.776 . . . . 0.0 109.315 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 17.2 ttt180 -41.17 -42.5 2.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.23 -44.5 29.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.241 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.402 ' O ' ' OE2' ' A' ' 112' ' ' GLU . 8.9 tp10 -56.24 -25.32 47.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.265 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.591 ' CE2' HD23 ' A' ' 97' ' ' LEU . 1.9 t80 -81.5 -49.93 10.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 111.003 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.563 ' HG3' HG22 ' A' ' 45' ' ' VAL . 1.6 tm0? -49.11 -43.0 41.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 110.336 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.42 -33.15 64.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.907 ' HG ' HD23 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -68.47 -30.25 69.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 1.071 ' CG ' HD13 ' A' ' 55' ' ' LEU . 70.8 t90 -68.54 -57.57 5.58 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.821 HD11 HG11 ' A' ' 45' ' ' VAL . 28.5 mt -51.71 -29.01 16.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.499 ' HB3' HD21 ' A' ' 78' ' ' LEU . . . -62.13 -62.04 2.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.683 ' HB3' ' CD2' ' A' ' 71' ' ' HIS . . . -56.69 -24.04 46.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.559 1.162 . . . . 0.0 109.342 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.791 ' CE1' ' CZ2' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -74.58 -45.52 44.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -87.36 8.19 25.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.494 ' CB ' ' OE1' ' A' ' 74' ' ' GLN . . . -97.66 0.67 47.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.263 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 78.3 mt -70.88 153.93 94.52 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.229 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 -6.25 17.76 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.459 1.768 . . . . 0.0 111.009 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -111.12 -47.09 0.78 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.488 1.118 . . . . 0.0 111.002 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.597 ' O ' ' HB2' ' A' ' 128' ' ' ALA . 0.2 OUTLIER -77.77 60.71 2.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 0.766 . . . . 0.0 110.066 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.597 ' HB2' ' O ' ' A' ' 127' ' ' SER . . . 170.23 64.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.417 1.073 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -153.67 164.62 37.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -172.97 91.82 0.38 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.617 ' O ' ' HB3' ' A' ' 134' ' ' ALA . 18.2 Cg_endo -75.02 114.3 3.99 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.492 1.785 . . . . 0.0 111.02 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.42 -41.79 79.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.003 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.864 ' HA ' HD12 ' A' ' 136' ' ' ILE . 11.8 p-90 -57.65 -18.7 21.77 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.617 ' HB3' ' O ' ' A' ' 131' ' ' PRO . . . -60.63 -14.65 21.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 109.257 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 11.9 p -129.29 35.48 4.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.976 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.864 HD12 ' HA ' ' A' ' 133' ' ' TRP . 62.5 mt -123.25 119.03 56.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.599 ' O ' ' CZ ' ' A' ' 147' ' ' PHE . 0.2 OUTLIER -136.44 -176.74 4.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.432 1.083 . . . . 0.0 109.345 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 138' ' ' GLN . . . . . 0.464 ' CG ' ' HA ' ' A' ' 144' ' ' TYR . 0.0 OUTLIER -105.62 115.21 29.86 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.441 1.088 . . . . 0.0 110.325 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -74.4 145.93 35.18 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.568 1.168 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.686 HD13 ' O ' ' A' ' 140' ' ' LEU . 2.3 tm? -57.58 -18.46 19.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 0.787 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -129.68 47.15 2.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 110.316 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -139.32 159.68 65.09 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 109.94 3.02 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.427 1.751 . . . . 0.0 110.926 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' TYR . . . . . 0.856 ' O ' HG23 ' A' ' 148' ' ' VAL . 0.9 OUTLIER -69.06 -44.35 72.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 110.991 179.91 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -54.1 50.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.657 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -56.51 -50.03 73.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' PHE . . . . . 0.599 ' CZ ' ' O ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -47.5 -42.23 22.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 111.034 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.856 HG23 ' O ' ' A' ' 144' ' ' TYR . 38.5 t -60.56 -40.71 85.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.04 -56.12 24.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 110.266 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.605 ' HA ' HD12 ' A' ' 153' ' ' ILE . 17.2 mtt180 -59.87 -35.33 74.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.155 . . . . 0.0 110.33 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.474 ' HB3' ' CD1' ' A' ' 169' ' ' LEU . 1.7 mt -55.39 -48.32 74.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -60.33 -34.59 74.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.36 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.605 HD12 ' HA ' ' A' ' 150' ' ' ARG . 5.8 mt -67.64 -63.97 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.422 1.076 . . . . 0.0 109.288 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -52.59 -21.91 4.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 0.702 HD23 ' CD1' ' A' ' 133' ' ' TRP . 15.6 mt -86.22 -28.05 24.1 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.242 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 153' ' ' ILE . 0.8 OUTLIER -79.48 -7.7 58.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.439 1.087 . . . . 0.0 109.32 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -112.73 -30.67 7.0 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.427 1.079 . . . . 0.0 109.311 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -102.31 -43.17 2.07 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.64 HD23 ' CE2' ' A' ' 133' ' ' TRP . 0.2 OUTLIER -79.63 114.68 47.72 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.521 0.777 . . . . 0.0 109.245 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 160' ' ' PRO . . . . . 0.563 ' HD2' HD13 ' A' ' 159' ' ' LEU . 18.3 Cg_endo -74.96 -169.1 0.58 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.42 1.748 . . . . 0.0 111.007 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -95.71 -14.67 23.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 110.258 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -93.65 18.36 56.66 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.476 1.11 . . . . 0.0 111.03 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 163' ' ' THR . . . . . 0.692 HG23 ' HD2' ' A' ' 164' ' ' PRO . 3.9 m -138.28 145.85 48.98 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.487 0.757 . . . . 0.0 110.43 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 164' ' ' PRO . . . . . 0.692 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.3 Cg_endo -75.02 109.84 3.0 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.52 1.8 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 165' ' ' LYS . . . . . 0.594 ' HB2' HD12 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -100.03 -33.39 10.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.34 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 166' ' ' ASP . . . . . 0.513 ' CB ' ' HD3' ' A' ' 167' ' ' PRO . 0.1 OUTLIER -41.88 -53.28 8.19 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.429 1.08 . . . . 0.0 109.284 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 167' ' ' PRO . . . . . 0.513 ' HD3' ' CB ' ' A' ' 166' ' ' ASP . 18.4 Cg_endo -75.04 -48.8 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.448 1.762 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 168' ' ' ILE . . . . . 0.622 HD13 HD21 ' A' ' 159' ' ' LEU . 0.4 OUTLIER -47.96 -43.56 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.329 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 169' ' ' LEU . . . . . 0.496 HD13 HD12 ' A' ' 155' ' ' LEU . 26.3 tp -60.52 -63.85 1.16 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 13.1 mtm105 -47.7 -23.66 0.75 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.257 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.58 -54.38 6.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 109.954 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.482 HD21 ' CE3' ' A' ' 133' ' ' TRP . 0.7 OUTLIER -65.01 -12.93 55.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.34 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -89.96 -36.6 14.89 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.095 . . . . 0.0 109.262 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 174' ' ' TYR . . . . . 0.442 ' O ' ' C ' ' A' ' 175' ' ' SER . 11.8 t80 -113.81 -71.94 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 110.97 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 175' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 174' ' ' TYR . 23.5 t -35.63 -39.34 0.14 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.449 1.093 . . . . 0.0 109.982 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 176' ' ' ASN . . . . . 0.503 ' HB3' HD23 ' A' ' 137' ' ' LEU . 29.6 m120 -110.74 60.27 0.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.267 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 177' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 174' ' ' TYR . . . -134.61 152.6 51.89 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 178' ' ' ASN . . . . . 0.435 ' OD1' ' NE2' ' A' ' 138' ' ' GLN . 4.7 p-10 -53.44 -174.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.38 -42.4 25.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 180' ' ' GLU . . . . . 0.465 ' HB2' ' CD2' ' A' ' 140' ' ' LEU . 0.4 OUTLIER -60.37 -21.37 62.07 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.138 . . . . 0.0 110.257 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 181' ' ' CYS . . . . . 0.536 ' SG ' ' CD2' ' A' ' 144' ' ' TYR . 53.6 t -86.53 -69.47 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 108.335 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 182' ' ' GLN . . . . . 0.489 HE21 ' N ' ' A' ' 183' ' ' LYS . 0.0 OUTLIER -44.97 -31.92 1.45 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.453 1.095 . . . . 0.0 110.276 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 183' ' ' LYS . . . . . 0.489 ' N ' HE21 ' A' ' 182' ' ' GLN . 29.2 mtmt -75.03 -42.5 57.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.573 HD23 ' O ' ' A' ' 184' ' ' LEU . 2.3 tt -54.91 -56.04 23.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 185' ' ' LEU . . . . . 0.518 HD11 ' HE2' ' A' ' 198' ' ' MET . 16.9 mt -51.36 -52.82 42.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.267 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 186' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -52.66 -48.63 66.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -57.64 -31.11 65.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.345 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 188' ' ' ARG . . . . . 0.435 ' HG3' ' CD2' ' A' ' 184' ' ' LEU . 0.1 OUTLIER -81.5 -18.35 45.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 58.54 55.29 31.58 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.443 1.089 . . . . 0.0 110.969 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 190' ' ' HIS . . . . . 0.5 ' O ' ' C ' ' A' ' 191' ' ' THR . 0.5 OUTLIER -155.76 26.5 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 109.6 -179.92 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 191' ' ' THR . . . . . 0.5 ' C ' ' O ' ' A' ' 190' ' ' HIS . 17.6 p -30.93 -57.41 0.22 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 110.358 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 192' ' ' ASN . . . . . 0.457 ' O ' ' O ' ' A' ' 193' ' ' SER . 27.2 t-20 -68.94 -110.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.097 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 193' ' ' SER . . . . . 0.549 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER 47.97 -179.61 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.975 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 194' ' ' PRO . . . . . 0.549 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.2 Cg_endo -75.07 166.04 29.95 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.494 1.786 . . . . 0.0 110.939 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 195' ' ' LEU . . . . . 0.519 HD21 ' CG1' ' A' ' 148' ' ' VAL . 11.1 tp -67.4 -44.29 79.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -46.99 -41.63 14.34 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.07 -38.69 86.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 0.74 . . . . 0.0 109.35 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 198' ' ' MET . . . . . 0.518 ' HE2' HD11 ' A' ' 185' ' ' LEU . 90.9 mtp -62.35 -34.11 76.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 199' ' ' LEU . . . . . 0.63 HD21 HG11 ' A' ' 148' ' ' VAL . 3.1 mm? -75.11 -22.51 58.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 109.361 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 10.2 mtm180 -85.96 -14.38 44.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 110.309 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -89.51 -35.36 15.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.597 1.186 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 202' ' ' CYS . . . . . 0.596 ' CB ' ' CD1' ' A' ' 144' ' ' TYR . 1.0 OUTLIER -88.47 -18.61 27.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 108.288 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 203' ' ' GLN . . . . . 0.443 ' CG ' ' N ' ' A' ' 204' ' ' THR . 15.0 pt20 -38.15 -46.42 1.04 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.48 1.112 . . . . 0.0 110.327 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 204' ' ' THR . . . . . 0.75 ' OG1' HG22 ' A' ' 206' ' ' THR . 5.8 t -100.16 -48.2 4.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.563 1.164 . . . . 0.0 110.388 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 205' ' ' TRP . . . . . 0.566 ' O ' ' CD1' ' A' ' 205' ' ' TRP . 5.0 t90 41.93 59.71 2.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 108.011 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 206' ' ' THR . . . . . 0.75 HG22 ' OG1' ' A' ' 204' ' ' THR . 5.3 t -167.8 146.24 3.96 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 110.44 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -178.96 4.55 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.583 1.833 . . . . 0.0 110.924 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 208' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -157.77 112.04 2.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.574 1.171 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -159.43 105.02 1.65 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.425 1.078 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.33 140.67 10.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.372 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 12.3 t -169.23 143.05 2.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.39 1.056 . . . . 0.0 110.37 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -170.21 64.03 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.409 1.068 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 213' ' ' VAL . . . . . . . . . . . . . 62.9 t -75.58 -62.02 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.354 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 214' ' ' LEU . . . . . . . . . . . . . 4.4 tt . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.261 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 19.6 p-80 -178.87 173.66 1.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.592 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.6 p80 -174.41 156.7 2.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.573 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 8.7 p-80 -175.86 174.58 2.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.596 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -164.56 174.68 10.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.627 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 177.46 170.46 0.61 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.964 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.97 171.06 17.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 110.049 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -150.86 -153.42 6.14 Favored Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.501 1.126 . . . . 0.0 111.013 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.0 p-80 -163.08 147.38 11.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.389 0.699 . . . . 0.0 109.606 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.6 pt -137.64 177.05 6.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 109.237 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -153.12 170.25 20.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 110.291 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.77 127.12 1.44 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.458 1.098 . . . . 0.0 111.006 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -177.55 170.66 2.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 0.774 . . . . 0.0 110.359 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.525 ' O ' ' CD2' ' A' ' 14' ' ' HIS . 7.2 t60 57.91 93.3 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.53 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.593 ' SD ' ' CE1' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -33.92 136.01 0.13 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.527 1.142 . . . . 0.0 111.023 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.422 ' N ' ' HG3' ' A' ' 15' ' ' MET . 5.9 pm0 -121.97 174.42 6.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.245 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -54.01 -18.91 3.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 111.041 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -61.39 1.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.078 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -47.12 -43.41 20.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.258 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.738 HD21 ' HB2' ' A' ' 58' ' ' LEU . 25.4 mt -54.05 -53.65 50.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 109.336 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.97 -53.84 47.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.241 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.49 -42.12 66.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.495 HD12 ' HA ' ' A' ' 20' ' ' LEU . 29.3 mt -59.98 -48.82 86.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.4 ttpp -50.25 -27.0 5.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -76.66 -69.58 0.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.628 ' CD ' HG23 ' A' ' 40' ' ' THR . 4.3 pt-20 -48.59 -23.54 1.04 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.857 HG23 HG21 ' A' ' 40' ' ' THR . 22.2 t -83.06 -43.41 18.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.448 1.093 . . . . 0.0 109.207 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 57.7 m -53.15 -20.79 4.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.006 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -81.78 -40.61 22.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 110.315 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.632 ' HB1' ' HB3' ' A' ' 36' ' ' GLN . . . -48.81 166.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.436 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -105.66 162.58 19.27 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.436 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.2 Cg_endo -74.97 117.34 4.88 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.547 1.814 . . . . 0.0 111.033 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 71.43 38.74 62.11 Favored Glycine 0 CA--C 1.528 0.905 0 O-C-N 124.551 1.157 . . . . 0.0 111.054 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.5 m -125.85 155.1 73.38 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.448 0.734 . . . . 0.0 110.018 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 50.15 2.45 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.461 1.769 . . . . 0.0 110.965 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.632 ' HB3' ' HB1' ' A' ' 30' ' ' ALA . 13.5 tp60 -121.33 -53.2 2.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.258 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.526 ' HD2' HG13 ' A' ' 27' ' ' VAL . 4.2 t80 -58.06 -59.6 5.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.106 . . . . 0.0 110.974 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.482 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -48.7 -41.86 33.1 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.556 1.16 . . . . 0.0 110.96 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -54.31 -41.0 68.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 110.315 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.857 HG21 HG23 ' A' ' 27' ' ' VAL . 1.4 m -67.63 -23.92 65.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.41 1.069 . . . . 0.0 110.415 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.731 HG22 ' CD2' ' A' ' 118' ' ' LEU . 12.4 mm -74.9 -57.43 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.47 ' HG3' HD13 ' A' ' 118' ' ' LEU . 0.8 OUTLIER -61.77 -31.45 71.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 110.33 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 22.1 tp -67.92 -48.04 67.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.51 ' O ' ' CE1' ' A' ' 48' ' ' PHE . . . -65.61 -32.92 74.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.643 HG11 HD11 ' A' ' 118' ' ' LEU . 0.9 OUTLIER -72.23 -37.05 57.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.587 1.179 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -87.3 0.3 55.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 110.312 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.34 -68.9 0.76 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.251 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.593 ' CE1' ' SD ' ' A' ' 15' ' ' MET . 0.2 OUTLIER -116.9 -24.85 7.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.578 1.174 . . . . 0.0 110.907 -179.931 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.412 ' HA ' ' OE1' ' A' ' 114' ' ' GLN . 1.1 m-20 72.34 98.31 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.551 1.157 . . . . 0.0 109.241 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.425 ' HB2' ' CB ' ' A' ' 54' ' ' ASP . 18.2 Cg_endo -74.95 143.0 28.73 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.527 1.804 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.5 p -61.9 -172.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.412 1.07 . . . . 0.0 110.412 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.23 -46.44 67.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.407 ' HD3' ' N ' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -63.78 -39.21 93.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.425 ' CB ' ' HB2' ' A' ' 50' ' ' PRO . 77.2 m-20 -57.55 -37.84 73.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 1.021 HD13 ' CG ' ' A' ' 117' ' ' TRP . 31.5 mt -65.89 -48.17 72.41 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.13 . . . . 0.0 109.347 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -53.71 -53.02 58.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 110.347 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.67 -57.5 10.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.738 ' HB2' HD21 ' A' ' 20' ' ' LEU . 10.0 tp -44.01 -40.33 4.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.342 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 33.1 tp -55.94 -54.14 48.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.35 5.41 14.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.31 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 8.3 t80 -97.68 -21.1 17.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 0.0 110.956 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 61' ' ' TYR . 49.2 mt -120.14 -69.87 0.82 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 3.3 p -68.67 173.04 5.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 108.302 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.44 ' O ' ' HB2' ' A' ' 68' ' ' ALA . 0.5 OUTLIER -87.7 -165.68 1.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.617 1.198 . . . . 0.0 109.986 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 m -77.99 -24.69 47.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.419 1.075 . . . . 0.0 109.961 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.471 ' C ' HD12 ' A' ' 66' ' ' LEU . 0.3 OUTLIER -73.05 -75.88 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.352 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.1 t -42.31 -34.61 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.44 ' HB2' ' O ' ' A' ' 64' ' ' SER . . . -61.69 -49.18 77.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 66' ' ' LEU . 2.4 m -58.47 -54.62 45.02 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 42.7 mt -52.51 -46.51 66.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.566 1.166 . . . . 0.0 109.337 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.59 ' NE2' ' HB3' ' A' ' 120' ' ' ALA . 3.9 t60 -57.55 -41.83 81.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 109.614 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.66 -16.49 63.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.619 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -80.29 -72.61 0.4 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.764 ' OE1' ' HB3' ' A' ' 123' ' ' ALA . 0.9 OUTLIER -47.26 -31.88 4.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.567 1.167 . . . . 0.0 110.279 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.821 HD13 HG12 ' A' ' 79' ' ' ILE . 1.6 tm? -74.16 -45.4 48.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.355 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.36 -43.38 23.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.155 . . . . 0.0 109.367 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.9 t -68.52 -39.96 80.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.995 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.631 HD23 ' CG ' ' A' ' 116' ' ' LEU . 0.7 OUTLIER -61.62 -39.59 91.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.821 HG12 HD13 ' A' ' 75' ' ' LEU . 42.5 mm -58.26 -59.65 3.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.456 1.098 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.0 t -49.91 -30.25 9.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.933 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -63.41 -39.98 95.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.421 1.075 . . . . 0.0 110.304 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.902 ' HB1' HG12 ' A' ' 87' ' ' ILE . . . -65.74 -59.62 3.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 0.0 109.357 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.567 ' HG2' ' CE2' ' A' ' 90' ' ' TYR . 6.2 mt-10 -54.39 -40.26 68.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.353 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.3 m -64.66 -48.28 75.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.358 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.25 -0.09 21.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 71.52 91.47 0.09 OUTLIER Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.572 1.17 . . . . 0.0 110.98 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.902 HG12 ' HB1' ' A' ' 82' ' ' ALA . 66.6 mt -53.71 167.74 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.588 0.816 . . . . 0.0 109.356 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.545 ' N ' HG22 ' A' ' 87' ' ' ILE . 14.7 t -88.09 -49.3 7.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 110.423 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.456 ' O ' HD12 ' A' ' 109' ' ' LEU . . . -124.19 68.16 0.49 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.601 1.188 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.63 ' CG ' HD12 ' A' ' 87' ' ' ILE . 54.3 t80 -127.93 135.74 50.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 0.726 . . . . 0.0 110.948 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.786 ' CG ' HD12 ' A' ' 93' ' ' LEU . 5.0 t-20 -110.35 100.54 45.0 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -15.28 20.78 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.415 1.745 . . . . 0.0 110.966 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.96 HD13 ' N ' ' A' ' 94' ' ' ALA . 0.0 OUTLIER -65.91 -34.83 79.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.96 ' N ' HD13 ' A' ' 93' ' ' LEU . . . -67.5 -61.77 1.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.086 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.536 ' N ' ' CD ' ' A' ' 96' ' ' PRO . . . 123.87 -49.07 0.92 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.526 1.141 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 95' ' ' GLY . 17.9 Cg_endo -75.09 165.8 30.42 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.583 1.833 . . . . 0.0 110.943 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.69 HD21 HD12 ' A' ' 79' ' ' ILE . 14.2 tp -120.14 -55.64 2.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -51.31 -34.07 31.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.166 . . . . 0.0 110.3 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 60.5 t -60.16 -45.69 95.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.522 ' HB3' ' NE2' ' A' ' 106' ' ' GLN . 29.0 mt-30 -66.26 -20.33 66.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.301 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -103.98 16.33 26.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -107.67 -20.67 13.15 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.575 1.172 . . . . 0.0 109.331 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.406 ' ND2' ' HB2' ' A' ' 105' ' ' GLN . 46.9 p-10 -99.26 138.42 20.54 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.383 1.052 . . . . 0.0 109.299 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 0.25 9.09 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.407 1.741 . . . . 0.0 111.027 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.406 ' HB2' ' ND2' ' A' ' 103' ' ' ASN . 7.3 mt-30 -61.87 -62.6 1.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.522 ' NE2' ' HB3' ' A' ' 100' ' ' GLN . 4.1 pt20 -95.48 83.38 3.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.24 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -72.35 -4.22 28.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -65.83 -56.47 14.5 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.513 1.133 . . . . 0.0 111.045 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.456 HD12 ' O ' ' A' ' 89' ' ' GLY . 1.2 mt -71.11 -24.4 62.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 0.729 . . . . 0.0 109.345 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.43 ' HB3' ' NH1' ' A' ' 110' ' ' ARG . 13.0 mtp-105 -61.55 -52.67 63.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 110.334 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -65.6 -37.39 86.5 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.475 1.109 . . . . 0.0 110.279 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -63.28 -56.3 17.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.329 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.615 ' HA ' HD22 ' A' ' 116' ' ' LEU . 1.7 t80 -53.49 -35.39 60.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.412 ' OE1' ' HA ' ' A' ' 49' ' ' ASP . 23.9 mm-40 -58.98 -48.25 82.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -75.14 -54.63 6.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.326 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.661 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 0.0 OUTLIER -47.89 -42.37 26.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 1.021 ' CG ' HD13 ' A' ' 55' ' ' LEU . 75.0 t90 -62.41 -66.59 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 108.03 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.731 ' CD2' HG22 ' A' ' 41' ' ' ILE . 93.2 mt -41.47 -35.25 0.66 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.661 ' HB3' ' O ' ' A' ' 116' ' ' LEU . . . -55.68 -52.07 65.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.59 ' HB3' ' NE2' ' A' ' 71' ' ' HIS . . . -59.81 -34.96 73.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.502 ' CE2' ' CH2' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -75.97 -12.62 60.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 111.053 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -111.27 3.64 18.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.764 ' HB3' ' OE1' ' A' ' 74' ' ' GLN . . . -97.64 -4.21 37.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 79.2 mt -68.98 148.98 97.95 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.399 1.062 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -9.99 20.89 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.493 1.786 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -102.58 -33.73 4.37 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 5.8 t -72.95 62.24 0.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 0.774 . . . . 0.0 110.035 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -172.59 -177.21 1.67 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.6 -174.42 2.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.128 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -131.08 152.41 80.61 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 126.63 10.08 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.481 1.78 . . . . 0.0 110.976 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.25 -28.18 59.75 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.766 ' HA ' HD12 ' A' ' 136' ' ' ILE . 23.2 p-90 -67.66 -13.77 62.37 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.93 -10.56 50.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.4 27.25 4.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.979 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.766 HD12 ' HA ' ' A' ' 133' ' ' TRP . 96.7 mt -113.52 116.38 52.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.589 HD23 ' OD1' ' A' ' 176' ' ' ASN . 0.1 OUTLIER -134.8 156.34 49.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.309 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 138' ' ' GLN . . . . . 0.468 ' CG ' ' HA ' ' A' ' 144' ' ' TYR . 0.0 OUTLIER -71.31 116.09 11.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.436 1.085 . . . . 0.0 110.244 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 139' ' ' GLY . . . . . 0.455 ' O ' ' NE2' ' A' ' 138' ' ' GLN . . . -66.1 155.24 51.01 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.557 1.16 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.604 ' N ' ' ND2' ' A' ' 178' ' ' ASN . 1.4 tm? -60.51 -40.34 91.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 0.78 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -111.82 40.42 2.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 110.342 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -114.58 154.92 46.62 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.306 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' PRO . . . . . 0.528 ' HB2' ' HB3' ' A' ' 146' ' ' ALA . 18.2 Cg_endo -74.99 84.35 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.504 1.791 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 144' ' ' TYR . . . . . 1.043 ' O ' HG23 ' A' ' 148' ' ' VAL . 45.7 t80 -38.13 -49.63 1.34 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.961 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.42 -61.02 2.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.562 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.528 ' HB3' ' HB2' ' A' ' 143' ' ' PRO . . . -54.69 -45.24 73.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 147' ' ' PHE . . . . . 0.497 ' CZ ' ' C ' ' A' ' 137' ' ' LEU . 77.4 t80 -55.03 -47.14 75.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 111.027 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 1.043 HG23 ' O ' ' A' ' 144' ' ' TYR . 67.6 t -51.14 -41.44 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.338 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 149' ' ' GLU . . . . . 0.566 ' O ' HD12 ' A' ' 153' ' ' ILE . 2.2 tp10 -64.29 -61.97 1.9 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 110.252 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -50.66 -31.46 16.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.308 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.668 ' O ' HD12 ' A' ' 155' ' ' LEU . 0.5 OUTLIER -63.48 -41.04 98.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -63.41 -49.44 73.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.566 HD12 ' O ' ' A' ' 149' ' ' GLU . 4.0 mp -62.15 -67.8 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.544 1.152 . . . . 0.0 109.345 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -41.48 -29.65 0.17 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.133 . . . . 0.0 109.299 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 0.681 HD21 ' CD1' ' A' ' 172' ' ' LEU . 2.8 mt -71.17 -61.76 1.65 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -50.68 -22.58 2.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.577 1.173 . . . . 0.0 109.299 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.03 -24.11 67.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -146.42 36.99 1.24 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.536 1.147 . . . . 0.0 111.034 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.64 HD12 ' HB2' ' A' ' 165' ' ' LYS . 0.5 OUTLIER -121.31 113.86 32.16 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.76 . . . . 0.0 109.328 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 156.52 43.28 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.425 1.75 . . . . 0.0 111.017 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -74.31 -1.7 21.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.108 . . . . 0.0 110.303 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -104.37 18.22 45.5 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.509 1.13 . . . . 0.0 111.031 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 163' ' ' THR . . . . . 0.571 HG23 ' HD2' ' A' ' 164' ' ' PRO . 1.4 m -142.86 142.19 21.76 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.526 0.78 . . . . 0.0 110.373 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 164' ' ' PRO . . . . . 0.571 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.2 Cg_endo -74.97 128.8 11.79 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.522 1.801 . . . . 0.0 111.037 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 165' ' ' LYS . . . . . 0.64 ' HB2' HD12 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -111.65 -26.36 9.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 166' ' ' ASP . . . . . 0.511 ' N ' ' CD ' ' A' ' 167' ' ' PRO . 0.4 OUTLIER -50.91 -52.27 59.22 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 167' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 166' ' ' ASP . 18.1 Cg_endo -75.06 -38.15 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.559 1.82 . . . . 0.0 110.954 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -39.11 78.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 169' ' ' LEU . . . . . 0.413 ' CD1' ' HB3' ' A' ' 151' ' ' LEU . 13.1 tp -59.49 -64.98 0.75 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.425 1.078 . . . . 0.0 109.344 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 17.6 ptt85 -51.45 -21.07 2.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.408 1.068 . . . . 0.0 110.265 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 171' ' ' SER . . . . . 0.503 ' O ' ' CB ' ' A' ' 175' ' ' SER . 0.2 OUTLIER -80.98 -38.18 28.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.971 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.681 ' CD1' HD21 ' A' ' 155' ' ' LEU . 10.5 mt -74.76 -24.21 58.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 173' ' ' ALA . . . . . 1.019 ' O ' ' HB2' ' A' ' 177' ' ' ALA . . . -79.97 -44.75 19.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.567 1.167 . . . . 0.0 109.32 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 174' ' ' TYR . . . . . 0.446 ' O ' ' N ' ' A' ' 176' ' ' ASN . 6.6 t80 -95.32 -73.57 0.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.971 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 175' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 171' ' ' SER . 0.2 OUTLIER -38.4 -30.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.063 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 176' ' ' ASN . . . . . 0.589 ' OD1' HD23 ' A' ' 137' ' ' LEU . 4.2 m-80 -122.94 59.82 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 177' ' ' ALA . . . . . 1.019 ' HB2' ' O ' ' A' ' 173' ' ' ALA . . . -125.24 148.34 48.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.344 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 178' ' ' ASN . . . . . 0.604 ' ND2' ' N ' ' A' ' 140' ' ' LEU . 0.5 OUTLIER -51.84 -177.25 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -73.61 -59.41 2.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.352 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 180' ' ' GLU . . . . . 0.526 ' HB2' HD21 ' A' ' 140' ' ' LEU . 0.7 OUTLIER -52.0 -36.21 49.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 110.213 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 181' ' ' CYS . . . . . 0.451 ' SG ' ' CD2' ' A' ' 144' ' ' TYR . 45.2 t -67.4 -65.13 0.73 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 0.0 108.249 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.88 -42.05 25.85 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.47 1.106 . . . . 0.0 110.255 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 15.5 ttpp -61.76 -34.73 76.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.451 1.094 . . . . 0.0 109.255 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.718 ' C ' HD23 ' A' ' 184' ' ' LEU . 2.5 tt -67.78 -60.76 2.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 185' ' ' LEU . . . . . 0.621 HD11 ' HE3' ' A' ' 198' ' ' MET . 4.7 mt -49.41 -52.35 29.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 186' ' ' GLN . . . . . 0.493 ' OE1' HG21 ' A' ' 191' ' ' THR . 1.8 mm100 -58.97 -52.57 65.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.332 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -55.87 -25.18 41.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 188' ' ' ARG . . . . . 0.463 ' HD3' ' CB ' ' A' ' 201' ' ' ALA . 0.0 OUTLIER -80.58 -23.54 39.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.328 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 64.48 67.79 1.91 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.545 1.153 . . . . 0.0 110.928 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 190' ' ' HIS . . . . . 0.621 ' CG ' ' O ' ' A' ' 190' ' ' HIS . 0.2 OUTLIER -171.09 37.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 0.773 . . . . 0.0 109.57 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 191' ' ' THR . . . . . 0.493 HG21 ' OE1' ' A' ' 186' ' ' GLN . 1.1 p -63.71 -47.69 80.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.354 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -82.59 59.64 4.79 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 193' ' ' SER . . . . . 0.548 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER -134.97 -179.34 1.05 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.991 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 194' ' ' PRO . . . . . 0.548 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.6 Cg_endo -74.94 176.44 9.89 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.473 1.775 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 195' ' ' LEU . . . . . 0.662 HD21 ' CG1' ' A' ' 148' ' ' VAL . 6.1 tp -72.86 -50.36 24.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 109.35 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -42.9 -45.96 6.01 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.465 1.103 . . . . 0.0 111.074 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -67.09 -35.9 80.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 0.768 . . . . 0.0 109.271 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 198' ' ' MET . . . . . 0.621 ' HE3' HD11 ' A' ' 185' ' ' LEU . 5.5 mmm -65.54 -23.03 66.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 199' ' ' LEU . . . . . 0.611 HD21 HG11 ' A' ' 148' ' ' VAL . 2.5 mm? -85.62 -22.87 27.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 200' ' ' ARG . . . . . 0.415 ' O ' ' CD ' ' A' ' 203' ' ' GLN . 5.8 ttm180 -86.16 -11.65 51.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.412 1.07 . . . . 0.0 110.311 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ALA . . . . . 0.463 ' CB ' ' HD3' ' A' ' 188' ' ' ARG . . . -96.72 -35.57 10.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.345 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 202' ' ' CYS . . . . . 0.596 ' CB ' ' CD1' ' A' ' 144' ' ' TYR . 2.0 m -87.04 -12.55 46.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 108.309 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 203' ' ' GLN . . . . . 0.457 ' HG3' ' N ' ' A' ' 204' ' ' THR . 13.9 pt20 -45.35 -50.25 12.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 204' ' ' THR . . . . . 0.457 ' N ' ' HG3' ' A' ' 203' ' ' GLN . 0.0 OUTLIER -66.86 -23.98 66.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.429 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 205' ' ' TRP . . . . . 0.577 ' CD1' HD12 ' A' ' 184' ' ' LEU . 0.6 OUTLIER -70.85 61.13 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 108.04 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 206' ' ' THR . . . . . 0.417 ' N ' ' O ' ' A' ' 204' ' ' THR . 69.7 p -147.73 88.48 5.61 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 110.364 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 153.8 42.38 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.518 1.799 . . . . 0.0 111.032 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 208' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.76 -44.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -132.75 164.22 27.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 109.341 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.09 164.34 18.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 62.0 p -64.4 173.32 2.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.352 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 32.0 tttp -128.44 161.06 30.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.38 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 213' ' ' VAL . . . . . . . . . . . . . 25.5 t -141.61 148.43 20.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 214' ' ' LEU . . . . . . . . . . . . . 5.3 mt . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 -179.967 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 11.8 p80 -133.71 174.95 9.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.138 . . . . 0.0 109.592 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -138.35 169.66 17.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.128 . . . . 0.0 109.558 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -141.15 175.02 9.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.074 . . . . 0.0 109.594 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -152.96 174.9 13.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.611 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.1 p -157.8 163.2 38.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.969 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.3 159.64 44.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.118 . . . . 0.0 110.029 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.15 -151.39 10.45 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.475 1.11 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -176.31 159.2 1.98 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 0.733 . . . . 0.0 109.657 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.83 172.03 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -164.16 169.81 17.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.245 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -83.91 -99.66 0.59 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.134 . . . . 0.0 111.07 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -175.75 80.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 0.786 . . . . 0.0 110.284 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -170.25 71.7 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 0.0 109.563 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.579 ' HG2' ' CE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER 52.66 101.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.08 . . . . 0.0 110.942 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -84.17 161.51 20.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -66.12 -46.73 76.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.098 . . . . 0.0 111.032 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 19' ' ' ASP . 5.3 pttt -50.25 -47.37 55.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.582 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -58.53 -48.57 80.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.573 1.171 . . . . 0.0 109.339 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.797 ' HA ' HD12 ' A' ' 23' ' ' ILE . 1.9 mt -61.71 -34.65 76.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.65 -52.57 60.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.345 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.83 -33.15 48.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.797 HD12 ' HA ' ' A' ' 20' ' ' LEU . 67.6 mt -65.6 -46.31 89.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.6 tttm -49.94 -33.21 16.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.5 -71.65 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.56 ' CD ' HG23 ' A' ' 40' ' ' THR . 10.0 pt-20 -45.15 -30.2 1.1 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 110.256 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.616 HG13 ' HD2' ' A' ' 37' ' ' PHE . 38.7 t -73.07 -54.02 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -45.75 -36.38 5.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.086 . . . . 0.0 110.006 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.17 -36.81 84.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 110.313 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 27' ' ' VAL . . . -43.85 165.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.647 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -110.34 169.81 5.97 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.58 1.175 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.647 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.3 Cg_endo -75.0 115.22 4.22 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.484 1.781 . . . . 0.0 110.976 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 61.29 53.11 47.11 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.421 1.075 . . . . 0.0 111.021 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.99 158.8 74.16 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.533 0.784 . . . . 0.0 109.972 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.12 49.29 2.25 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.488 1.783 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -121.62 -59.24 1.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.616 ' HD2' HG13 ' A' ' 27' ' ' VAL . 11.5 t80 -59.61 -58.64 7.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.626 ' CE ' HD22 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -52.08 -49.61 63.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 111.001 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -50.29 -40.05 47.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.283 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.56 HG23 ' CD ' ' A' ' 26' ' ' GLU . 63.3 m -64.22 -29.59 70.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.423 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.62 HG22 HD21 ' A' ' 118' ' ' LEU . 3.8 mm -74.54 -40.03 48.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.445 1.091 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.607 ' HD2' HD13 ' A' ' 118' ' ' LEU . 1.8 mmm180 -66.59 -57.51 7.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 110.297 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.49 -29.29 24.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -84.11 -25.56 29.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.429 1.08 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.573 HG11 HD11 ' A' ' 118' ' ' LEU . 0.4 OUTLIER -73.52 -17.57 17.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -111.82 -64.46 1.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.309 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -44.85 -34.62 2.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.338 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.582 ' CE2' ' HB3' ' A' ' 19' ' ' ASP . 0.1 OUTLIER -101.79 -44.18 5.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.969 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.423 ' N ' ' HD3' ' A' ' 50' ' ' PRO . 2.7 t70 67.64 63.83 0.7 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.339 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.462 ' CD ' ' HA ' ' A' ' 45' ' ' VAL . 18.4 Cg_endo -75.01 163.08 36.02 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.562 1.822 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.5 p -113.66 -173.92 2.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.41 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.19 -37.35 54.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -68.66 -70.37 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 0.0 109.324 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -42.39 -31.48 0.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.985 HD13 ' CG ' ' A' ' 117' ' ' TRP . 20.0 mt -75.51 -48.09 24.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 53' ' ' LYS . 15.3 tp60 -49.02 -50.1 37.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 110.303 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.45 ' C ' ' N ' ' A' ' 59' ' ' LEU . 4.2 t70 -70.02 -63.3 1.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.561 HD13 HD23 ' A' ' 20' ' ' LEU . 29.0 tp -39.61 -29.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.45 ' N ' ' C ' ' A' ' 57' ' ' ASP . 20.5 tp -71.78 -55.28 7.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 57' ' ' ASP . 0.1 OUTLIER -87.78 23.55 1.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.306 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.402 ' OH ' ' O ' ' A' ' 20' ' ' LEU . 4.3 t80 -121.25 -38.84 2.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 111.033 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.462 ' HA ' HD23 ' A' ' 62' ' ' LEU . 1.3 mt -92.91 -59.34 2.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 68.5 m -81.1 -175.56 5.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 0.0 108.388 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.11 162.79 13.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 110.042 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.423 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 16.0 p -50.55 -41.69 54.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.002 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.7 tp -55.84 -66.18 0.47 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.53 HG13 ' CD1' ' A' ' 124' ' ' LEU . 2.8 t -45.76 -42.37 3.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 65' ' ' SER . . . -56.85 -51.88 67.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 68.5 p -57.39 -54.22 49.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 109.971 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 62.5 mt -50.69 -52.58 38.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.487 ' CD2' ' HB3' ' A' ' 120' ' ' ALA . 0.1 OUTLIER -55.95 -43.91 77.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.625 179.926 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -54.91 -23.51 19.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.652 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -82.21 -71.84 0.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.275 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.668 ' OE1' ' HB3' ' A' ' 123' ' ' ALA . 1.7 pt20 -47.11 -33.05 4.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.583 1.177 . . . . 0.0 110.27 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.726 HD23 ' HB2' ' A' ' 120' ' ' ALA . 1.3 tm? -74.42 -48.15 29.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.347 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.8 -49.26 20.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.59 -44.4 96.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.954 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.533 HD23 ' CG ' ' A' ' 116' ' ' LEU . 0.4 OUTLIER -53.91 -48.71 69.88 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.506 HD12 ' CD2' ' A' ' 97' ' ' LEU . 11.0 mm -50.5 -51.46 18.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.428 1.08 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.56 -28.9 34.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.002 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -64.92 -40.31 94.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.436 ' O ' ' CG1' ' A' ' 87' ' ' ILE . . . -66.53 -57.66 6.83 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -56.42 -36.89 69.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.276 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.3 m -60.16 -45.1 94.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.42 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -72.02 -5.02 32.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.322 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 87' ' ' ILE . . . 86.52 -18.08 35.74 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.453 1.096 . . . . 0.0 111.004 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.652 HD12 ' CG ' ' A' ' 90' ' ' TYR . 13.6 mt 60.91 146.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 0.0 109.345 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.497 HG23 ' N ' ' A' ' 89' ' ' GLY . 3.1 t -45.5 -55.05 6.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.393 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.497 ' N ' HG23 ' A' ' 88' ' ' THR . . . -155.35 61.61 0.36 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.552 1.158 . . . . 0.0 110.961 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.652 ' CG ' HD12 ' A' ' 87' ' ' ILE . 23.9 t80 -78.45 156.25 29.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 0.796 . . . . 0.0 110.955 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -112.03 121.46 39.43 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -31.4 6.3 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.495 1.787 . . . . 0.0 111.07 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 1.0 ' O ' HD22 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -60.59 -21.55 62.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 109.323 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.824 ' N ' HD13 ' A' ' 93' ' ' LEU . . . -97.92 54.21 1.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.493 ' C ' ' O ' ' A' ' 94' ' ' ALA . . . -28.61 -57.03 0.15 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.47 1.106 . . . . 0.0 110.951 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.401 ' CD ' ' N ' ' A' ' 95' ' ' GLY . 18.5 Cg_endo -74.92 81.95 2.09 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.515 1.797 . . . . 0.0 111.069 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.506 ' CD2' HD12 ' A' ' 79' ' ' ILE . 0.8 OUTLIER -48.61 -30.37 5.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.257 -179.926 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.443 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 21.3 ptt180 -58.14 -15.67 10.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 47.7 t -92.04 -59.56 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.274 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.535 ' OE1' HD13 ' A' ' 109' ' ' LEU . 3.5 pt20 -56.63 -17.93 10.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.098 . . . . 0.0 110.306 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.56 -43.35 66.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 98' ' ' ARG . 18.6 p30 -92.79 30.44 1.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -99.21 130.54 26.99 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 0.0 109.272 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 49.06 2.16 Favored 'Trans proline' 0 C--N 1.361 1.231 0 O-C-N 124.408 1.741 . . . . 0.0 111.019 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -137.34 -66.16 0.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.266 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.409 ' NE2' ' HG3' ' A' ' 100' ' ' GLN . 0.0 OUTLIER -80.03 113.82 18.49 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.409 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 8.9 tm0? -99.8 -25.0 14.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 110.342 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -69.29 -52.4 22.56 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.47 1.106 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.535 HD13 ' OE1' ' A' ' 100' ' ' GLN . 0.8 OUTLIER -66.1 -57.97 6.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 0.761 . . . . 0.0 109.298 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.495 ' C ' ' CD ' ' A' ' 110' ' ' ARG . 0.0 OUTLIER -41.1 -33.85 0.38 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.461 ' N ' ' HG3' ' A' ' 110' ' ' ARG . 0.0 OUTLIER -70.04 -46.75 64.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 110.263 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 109' ' ' LEU . 26.9 mm-40 -56.43 -45.76 80.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 110.241 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.552 ' HA ' HD22 ' A' ' 116' ' ' LEU . 10.9 t80 -57.52 -42.78 83.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 111.027 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -52.48 -51.79 57.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 110.356 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.65 -57.0 5.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 110.292 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.557 HD21 HD11 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -43.54 -35.21 1.6 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.477 1.11 . . . . 0.0 109.326 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.985 ' CG ' HD13 ' A' ' 55' ' ' LEU . 92.2 t90 -67.04 -53.65 29.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 108.011 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.626 HD22 ' CE ' ' A' ' 38' ' ' MET . 50.8 mt -53.81 -32.23 51.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' A' ' 116' ' ' LEU . . . -59.94 -52.09 66.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.726 ' HB2' HD23 ' A' ' 75' ' ' LEU . . . -59.2 -35.18 73.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.233 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -70.41 -33.98 71.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -91.6 3.12 55.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.585 1.178 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.668 ' HB3' ' OE1' ' A' ' 74' ' ' GLN . . . -97.98 4.48 49.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.53 ' CD1' HG13 ' A' ' 67' ' ' VAL . 36.3 mt -82.11 156.62 69.3 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 55.97 4.14 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.57 1.826 . . . . 0.0 110.952 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 131.48 -53.17 0.81 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.543 1.152 . . . . 0.0 110.986 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.573 ' O ' ' HB2' ' A' ' 128' ' ' ALA . 0.3 OUTLIER 57.29 82.63 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 0.763 . . . . 0.0 110.013 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.573 ' HB2' ' O ' ' A' ' 127' ' ' SER . . . 169.73 176.03 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 22.1 pttt -161.51 145.55 12.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -166.34 129.71 1.55 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.22 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 100.69 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.471 1.774 . . . . 0.0 110.968 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.9 -10.46 59.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 110.022 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.872 ' HA ' HD12 ' A' ' 136' ' ' ILE . 41.8 p-90 -74.97 -25.18 58.67 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.99 -14.1 32.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.414 1.071 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 7.2 m -122.34 28.39 7.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.003 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.872 HD12 ' HA ' ' A' ' 133' ' ' TRP . 10.0 mt -116.14 119.35 61.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.591 ' O ' ' CZ ' ' A' ' 147' ' ' PHE . 0.3 OUTLIER -136.11 147.76 47.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 138' ' ' GLN . . . . . 0.468 ' CG ' ' HA ' ' A' ' 144' ' ' TYR . 0.0 OUTLIER -77.13 117.8 19.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.313 179.934 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 139' ' ' GLY . . . . . 0.441 ' O ' ' NE2' ' A' ' 138' ' ' GLN . . . -67.76 147.91 48.79 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.547 1.154 . . . . 0.0 110.986 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.521 HD21 ' HB2' ' A' ' 180' ' ' GLU . 1.9 tm? -55.67 -34.89 65.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 0.762 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -118.15 43.66 2.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -124.52 161.67 46.85 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.441 1.088 . . . . 0.0 110.337 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' PRO . . . . . 0.719 ' HB2' ' HB3' ' A' ' 146' ' ' ALA . 18.1 Cg_endo -75.04 104.99 2.0 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.441 1.758 . . . . 0.0 110.946 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 144' ' ' TYR . . . . . 0.468 ' HA ' ' CG ' ' A' ' 138' ' ' GLN . 27.0 t80 -60.64 -60.43 3.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.15 . . . . 0.0 110.975 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -47.38 -50.52 22.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.536 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.719 ' HB3' ' HB2' ' A' ' 143' ' ' PRO . . . -61.0 -27.87 68.63 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 147' ' ' PHE . . . . . 0.591 ' CZ ' ' O ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -76.16 -41.73 48.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 0.0 111.002 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.797 HG11 HD21 ' A' ' 199' ' ' LEU . 57.7 t -58.94 -47.13 90.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 149' ' ' GLU . . . . . 0.615 ' O ' HD12 ' A' ' 153' ' ' ILE . 1.2 tt0 -58.3 -53.52 57.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.368 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 1.3 mtm180 -59.07 -35.52 73.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.317 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.674 ' O ' HD12 ' A' ' 155' ' ' LEU . 0.9 OUTLIER -58.86 -40.49 84.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.575 1.172 . . . . 0.0 109.291 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 152' ' ' ASN . . . . . 0.403 ' HA ' ' CE ' ' A' ' 165' ' ' LYS . 27.0 t-20 -64.02 -45.53 88.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.615 HD12 ' O ' ' A' ' 149' ' ' GLU . 1.8 mp -63.24 -67.62 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.49 1.119 . . . . 0.0 109.255 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -41.31 -30.74 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 0.769 HD11 ' CD1' ' A' ' 172' ' ' LEU . 3.6 mt -76.29 -50.15 15.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 153' ' ' ILE . 20.8 t70 -52.15 -21.48 3.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -92.29 -25.23 18.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.221 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 158' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 155' ' ' LEU . . . -134.56 53.42 0.78 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.496 1.123 . . . . 0.0 110.964 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.591 HD11 HG22 ' A' ' 163' ' ' THR . 0.2 OUTLIER -166.15 101.96 0.71 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.517 0.775 . . . . 0.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 167.48 26.94 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.454 1.765 . . . . 0.0 110.985 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 163' ' ' THR . 1.7 mt-10 -65.03 -55.36 19.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 110.346 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -38.03 -30.04 0.07 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.524 1.14 . . . . 0.0 110.991 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 163' ' ' THR . . . . . 0.591 HG22 HD11 ' A' ' 159' ' ' LEU . 1.2 m -100.02 142.49 24.71 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.469 0.747 . . . . 0.0 110.386 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 164' ' ' PRO . . . . . 0.571 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.2 Cg_endo -75.02 138.73 23.36 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.54 1.811 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 165' ' ' LYS . . . . . 0.596 ' HE2' HD13 ' A' ' 169' ' ' LEU . 0.0 OUTLIER -119.44 -41.1 2.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 166' ' ' ASP . . . . . 0.535 ' CB ' ' HD3' ' A' ' 167' ' ' PRO . 0.1 OUTLIER -38.65 -54.47 2.97 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 167' ' ' PRO . . . . . 0.535 ' HD3' ' CB ' ' A' ' 166' ' ' ASP . 18.4 Cg_endo -74.99 -47.39 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.489 1.784 . . . . 0.0 110.98 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 168' ' ' ILE . . . . . 0.43 ' CD1' HD21 ' A' ' 159' ' ' LEU . 0.0 OUTLIER -46.67 -29.15 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.572 1.17 . . . . 0.0 109.274 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 169' ' ' LEU . . . . . 0.799 HD23 HD22 ' A' ' 195' ' ' LEU . 4.0 tp -65.64 -63.28 1.13 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.512 1.133 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 170' ' ' ARG . . . . . 0.47 ' O ' ' CB ' ' A' ' 174' ' ' TYR . 0.9 OUTLIER -52.31 -34.88 48.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 110.279 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.05 -18.55 61.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 110.038 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.769 ' CD1' HD11 ' A' ' 155' ' ' LEU . 33.3 mt -91.95 -46.48 7.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.359 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -71.66 -6.34 40.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.08 . . . . 0.0 109.283 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 174' ' ' TYR . . . . . 0.47 ' CB ' ' O ' ' A' ' 170' ' ' ARG . 52.8 t80 -107.57 -69.0 0.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.29 -57.26 12.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.054 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 176' ' ' ASN . . . . . 0.552 ' HA ' HD23 ' A' ' 137' ' ' LEU . 94.3 m-20 -83.84 54.86 3.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 177' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 174' ' ' TYR . . . -135.7 140.3 44.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.561 1.163 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 178' ' ' ASN . . . . . 0.509 ' OD1' HD23 ' A' ' 140' ' ' LEU . 0.5 OUTLIER -51.57 -177.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.84 -65.09 0.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.254 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 180' ' ' GLU . . . . . 0.521 ' HB2' HD21 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -45.31 -33.79 2.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 181' ' ' CYS . . . . . . . . . . . . . 7.2 m -64.8 -69.8 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 108.315 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -49.91 -40.49 43.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 110.27 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.27 -34.37 77.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.542 ' C ' HD23 ' A' ' 184' ' ' LEU . 2.1 tt -64.43 -58.44 6.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 185' ' ' LEU . . . . . 0.553 HD23 ' NE2' ' A' ' 190' ' ' HIS . 8.6 mt -50.42 -53.32 30.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 186' ' ' GLN . . . . . 0.414 ' O ' ' N ' ' A' ' 189' ' ' GLY . 0.1 OUTLIER -55.66 -53.31 58.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 110.235 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -49.16 -50.14 39.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 188' ' ' ARG . . . . . 0.471 ' HG3' ' CD2' ' A' ' 184' ' ' LEU . 0.0 OUTLIER -58.13 -21.64 47.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.336 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 189' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 186' ' ' GLN . . . 75.38 30.25 58.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.425 1.078 . . . . 0.0 111.011 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 190' ' ' HIS . . . . . 0.564 ' CE1' ' HB3' ' A' ' 197' ' ' ASP . 0.4 OUTLIER -138.67 107.79 6.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.429 0.723 . . . . 0.0 109.653 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 3.2 p -120.06 -53.4 2.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.391 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -86.46 48.15 1.58 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 193' ' ' SER . . . . . 0.528 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER -117.12 179.57 0.79 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.98 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 194' ' ' PRO . . . . . 0.528 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.4 Cg_endo -74.93 153.8 42.37 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.467 1.772 . . . . 0.0 111.064 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 195' ' ' LEU . . . . . 0.852 HD12 ' SD ' ' A' ' 198' ' ' MET . 6.7 tp -52.74 -43.08 65.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -44.54 -39.63 5.93 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.514 1.134 . . . . 0.0 111.099 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 197' ' ' ASP . . . . . 0.564 ' HB3' ' CE1' ' A' ' 190' ' ' HIS . 0.3 OUTLIER -73.5 -36.28 65.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 0.727 . . . . 0.0 109.245 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 198' ' ' MET . . . . . 0.852 ' SD ' HD12 ' A' ' 195' ' ' LEU . 90.1 mtp -65.58 -32.55 74.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 199' ' ' LEU . . . . . 0.797 HD21 HG11 ' A' ' 148' ' ' VAL . 3.6 mm? -80.62 -21.63 41.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.343 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.28 -10.95 51.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 110.313 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ALA . . . . . 0.436 ' HB1' ' HG3' ' A' ' 188' ' ' ARG . . . -95.47 -37.91 10.69 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.413 1.071 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 202' ' ' CYS . . . . . 0.411 ' HG ' ' HD1' ' A' ' 144' ' ' TYR . 19.1 p -82.81 -21.13 34.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 108.288 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -39.14 -35.47 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.423 1.077 . . . . 0.0 110.247 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 204' ' ' THR . . . . . 0.463 HG23 ' N ' ' A' ' 205' ' ' TRP . 5.1 t -112.3 -51.42 2.84 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.378 1.049 . . . . 0.0 110.368 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 205' ' ' TRP . . . . . 0.573 ' O ' ' CD1' ' A' ' 205' ' ' TRP . 4.8 t90 44.56 59.85 3.14 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 206' ' ' THR . . . . . 0.438 HG23 ' OG1' ' A' ' 204' ' ' THR . 11.4 p -111.44 159.79 31.73 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.399 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 174.98 11.82 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.471 1.774 . . . . 0.0 111.035 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 208' ' ' LYS . . . . . . . . . . . . . 44.4 tttt -68.72 94.97 0.63 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . 28.0 t0 176.85 93.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.15 167.54 20.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 54.9 p -145.91 150.76 36.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 110.344 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.03 -62.64 1.57 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 213' ' ' VAL . . . . . . . . . . . . . 62.4 t -143.38 120.01 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 214' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' A' ' 214' ' ' LEU . 1.3 tm? . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.512 1.132 . . . . 0.0 109.245 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 12.6 p-80 . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -178.2 162.9 1.61 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.524 1.14 . . . . 0.0 109.589 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -179.46 163.66 1.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.087 . . . . 0.0 109.588 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.7 t60 179.67 160.04 0.78 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.436 1.085 . . . . 0.0 109.577 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -178.49 164.73 1.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.608 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 p 174.91 158.15 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 110.003 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 92.4 p -178.82 172.08 1.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.943 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 141.26 143.82 4.32 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.461 1.101 . . . . 0.0 110.954 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 25.8 t60 -175.37 157.33 2.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 0.761 . . . . 0.0 109.567 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.0 tt -173.8 154.59 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.414 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -174.77 -179.01 1.37 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.111 . . . . 0.0 110.331 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 138.87 134.96 3.24 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.62 152.78 14.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 0.723 . . . . 0.0 110.305 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -167.86 63.37 0.07 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.463 1.102 . . . . 0.0 109.636 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.577 ' HG2' ' CE1' ' A' ' 48' ' ' PHE . 0.0 OUTLIER 57.86 162.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 110.957 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -177.8 148.55 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.57 1.168 . . . . 0.0 110.264 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.7 tpt -52.23 -25.76 10.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.9 pttt -80.02 -36.38 35.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -63.56 -43.49 96.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.69 HD21 ' HB2' ' A' ' 58' ' ' LEU . 24.8 mt -63.4 -44.47 94.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.73 -46.58 77.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.261 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.93 -50.28 71.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.37 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.636 ' O ' HG23 ' A' ' 27' ' ' VAL . 35.2 mt -49.75 -44.55 20.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -58.63 -32.33 68.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -74.16 -65.62 0.82 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 110.299 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.721 ' OE1' HG23 ' A' ' 40' ' ' THR . 4.2 pt-20 -52.72 -20.35 3.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.454 1.096 . . . . 0.0 110.264 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 23' ' ' ILE . 39.1 t -87.56 -49.49 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.6 m -48.79 -28.78 3.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.997 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.43 -31.98 48.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 110.272 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 27' ' ' VAL . . . -46.17 167.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.595 ' HB3' ' HB2' ' A' ' 34' ' ' SER . . . -101.64 163.81 17.11 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.356 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.489 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.4 Cg_endo -74.97 122.59 7.31 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.484 1.781 . . . . 0.0 111.027 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 55.6 41.64 82.38 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.533 1.146 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.595 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 3.1 m -123.85 157.06 64.38 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.524 0.779 . . . . 0.0 109.983 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 50.08 2.43 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.507 1.793 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -121.43 -49.19 2.16 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 110.267 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.616 ' CE1' HD11 ' A' ' 41' ' ' ILE . 1.5 t80 -66.77 -64.37 0.87 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 111.03 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.524 ' CE ' HD22 ' A' ' 118' ' ' LEU . 8.1 tpt -46.0 -39.82 9.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -58.7 -47.61 83.95 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.515 1.135 . . . . 0.0 110.272 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.721 HG23 ' OE1' ' A' ' 26' ' ' GLU . 1.5 m -57.82 -24.87 59.39 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.463 1.102 . . . . 0.0 110.32 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.733 HG22 HD21 ' A' ' 118' ' ' LEU . 6.9 mm -72.75 -56.22 10.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.085 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.19 -31.51 53.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.445 1.091 . . . . 0.0 110.265 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.574 HD12 HE22 ' A' ' 47' ' ' GLN . 0.0 OUTLIER -64.9 -51.62 60.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.09 -37.57 87.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.253 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.53 HG22 ' HD2' ' A' ' 50' ' ' PRO . 1.3 t -66.18 -26.96 39.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -90.08 -15.04 32.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 110.3 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.574 HE22 HD12 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -74.99 -71.23 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.233 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.577 ' CE1' ' HG2' ' A' ' 15' ' ' MET . 0.5 OUTLIER -116.01 -26.05 7.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.976 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.405 ' OD2' ' NE2' ' A' ' 114' ' ' GLN . 1.0 OUTLIER 74.37 96.66 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 0.0 109.334 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.53 ' HD2' HG22 ' A' ' 45' ' ' VAL . 18.3 Cg_endo -74.97 142.34 27.83 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.44 1.758 . . . . 0.0 111.022 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 63.7 p -79.25 -168.2 1.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.395 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.59 -31.62 72.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.281 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -70.95 -72.43 0.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.309 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -41.5 -36.48 0.89 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 109.259 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 1.072 HD13 ' CG ' ' A' ' 117' ' ' TRP . 12.4 mt -65.95 -51.04 62.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 53' ' ' LYS . 3.5 tp60 -51.48 -49.16 62.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.01 -62.19 1.56 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.69 ' HB2' HD21 ' A' ' 20' ' ' LEU . 12.8 tp -40.84 -38.9 1.01 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.591 1.182 . . . . 0.0 109.366 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.435 HD12 ' HE1' ' A' ' 121' ' ' PHE . 18.0 tp -57.95 -57.84 11.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.8 3.27 12.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.264 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.524 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 28.9 t80 -95.52 -18.59 20.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 75.1 mt -114.3 -69.14 0.88 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.339 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 9.1 p -70.04 -168.43 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 108.286 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.7 t -107.07 -164.31 0.97 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.964 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.2 m -77.24 -25.57 51.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.421 1.076 . . . . 0.0 109.9 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.3 tp -67.22 -70.47 0.25 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.2 t -50.32 -51.38 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -43.24 -39.66 3.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.279 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.9 m -74.92 -45.42 42.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.988 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 84.1 mt -52.89 -50.22 64.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.636 1.21 . . . . 0.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.685 ' CE1' ' HB3' ' A' ' 120' ' ' ALA . 0.6 OUTLIER -60.51 -40.56 91.87 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.479 1.112 . . . . 0.0 109.598 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -56.05 -24.85 42.23 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 0.0 109.524 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 76' ' ' ASP . 23.6 mt-30 -82.62 -72.45 0.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.329 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -45.53 -38.45 6.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.257 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.796 HD13 HD12 ' A' ' 79' ' ' ILE . 1.4 tm? -69.46 -37.44 77.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 73' ' ' GLN . 0.2 OUTLIER -57.37 -45.73 84.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.533 1.146 . . . . 0.0 109.336 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.54 -45.46 91.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.027 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.778 HD23 ' CG ' ' A' ' 116' ' ' LEU . 7.7 tp -51.26 -52.48 44.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 0.0 109.352 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.796 HD12 HD13 ' A' ' 75' ' ' LEU . 1.0 OUTLIER -62.54 -47.34 93.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.05 -35.47 1.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.007 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -75.84 -40.36 54.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.506 ' HB1' HG12 ' A' ' 87' ' ' ILE . . . -62.93 -64.38 0.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.58 -35.05 8.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.1 m -61.04 -40.34 93.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.416 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -81.65 -1.27 46.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 110.294 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.92 -7.96 61.43 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.6 1.187 . . . . 0.0 111.038 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.781 HG21 ' CD1' ' A' ' 109' ' ' LEU . 16.1 mt 55.56 169.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.447 0.734 . . . . 0.0 109.351 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.495 ' N ' HG22 ' A' ' 87' ' ' ILE . 61.5 p -46.08 -77.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 0.0 110.393 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.446 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -136.63 52.69 0.77 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.473 ' CG ' HD12 ' A' ' 87' ' ' ILE . 22.0 t80 -81.12 145.55 31.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 0.788 . . . . 0.0 111.028 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.504 ' OD1' HD12 ' A' ' 93' ' ' LEU . 3.3 m-20 -111.78 98.49 41.63 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -21.84 15.35 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.492 1.785 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.906 HD13 ' N ' ' A' ' 94' ' ' ALA . 0.0 OUTLIER -58.92 -35.22 72.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.145 . . . . 0.0 109.307 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.906 ' N ' HD13 ' A' ' 93' ' ' LEU . . . -61.27 -65.6 0.67 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.506 ' N ' ' CD ' ' A' ' 96' ' ' PRO . . . 128.39 -50.08 0.9 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.591 1.182 . . . . 0.0 110.986 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 95' ' ' GLY . 18.2 Cg_endo -75.08 154.39 42.09 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.492 1.785 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.771 HD21 HG12 ' A' ' 79' ' ' ILE . 13.2 tp -120.86 -38.82 2.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 23.2 ptt-85 -77.22 0.6 21.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 110.259 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.482 ' CG2' ' HB2' ' A' ' 96' ' ' PRO . 32.0 t -86.19 -72.99 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -58.57 -16.28 15.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.595 1.184 . . . . 0.0 110.342 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.94 -22.34 65.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.262 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -98.92 2.48 46.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 18.2 t30 -84.84 133.78 42.92 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.323 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -17.88 19.19 Favored 'Trans proline' 0 C--N 1.358 1.073 0 O-C-N 124.503 1.791 . . . . 0.0 110.962 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -58.4 -59.08 5.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.337 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -101.87 57.62 0.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.275 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -55.82 -20.08 13.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.592 1.183 . . . . 0.0 110.373 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -54.93 -50.55 58.18 Favored Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.448 1.093 . . . . 0.0 111.036 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.781 ' CD1' HG21 ' A' ' 87' ' ' ILE . 0.5 OUTLIER -73.07 -46.49 51.32 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.448 0.734 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -45.87 -38.95 7.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 110.353 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.84 -60.23 2.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.333 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.56 -24.03 0.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -79.11 -46.75 17.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.405 ' NE2' ' OD2' ' A' ' 49' ' ' ASP . 25.6 mt-30 -51.73 -48.96 63.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 110.251 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.66 -49.33 69.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.246 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.839 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 0.0 OUTLIER -51.88 -40.13 60.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 1.072 ' CG ' HD13 ' A' ' 55' ' ' LEU . 90.1 t90 -56.4 -63.59 1.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 108.006 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.733 HD21 HG22 ' A' ' 41' ' ' ILE . 47.4 mt -44.64 -29.74 0.8 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.839 ' HB3' ' O ' ' A' ' 116' ' ' LEU . . . -58.48 -57.65 12.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.093 . . . . 0.0 109.329 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.685 ' HB3' ' CE1' ' A' ' 71' ' ' HIS . . . -59.41 -41.89 90.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.435 ' HE1' HD12 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -62.44 -14.62 42.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 111.062 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -117.33 4.59 12.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.334 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -98.81 -3.66 35.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.355 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 94.1 mt -63.12 148.36 92.95 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -8.66 20.38 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.568 1.825 . . . . 0.0 111.049 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -129.26 41.42 1.55 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.467 1.105 . . . . 0.0 110.98 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.2 t -114.7 -48.59 2.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 0.738 . . . . 0.0 110.016 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -139.82 134.65 32.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 109.378 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.34 -177.16 4.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -129.55 151.65 78.34 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.368 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.547 ' HB3' ' CZ2' ' A' ' 133' ' ' TRP . 18.3 Cg_endo -75.04 115.93 4.43 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.51 1.795 . . . . 0.0 111.013 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.33 -18.36 60.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 109.985 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.747 ' HA ' HD12 ' A' ' 136' ' ' ILE . 15.3 p-90 -75.58 -17.69 59.97 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.548 1.155 . . . . 0.0 108.005 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.99 -10.0 44.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.19 25.01 6.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.994 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.747 HD12 ' HA ' ' A' ' 133' ' ' TRP . 42.8 mt -117.41 117.61 55.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.573 1.17 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.467 ' CB ' ' HB3' ' A' ' 176' ' ' ASN . 0.2 OUTLIER -137.52 161.69 35.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.933 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -91.38 123.39 34.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.324 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -67.97 160.6 50.29 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.463 1.102 . . . . 0.0 111.048 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -61.88 -36.41 81.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 0.785 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -114.17 41.5 2.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 110.218 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -125.91 160.31 57.3 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.266 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.88 124.76 8.92 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.579 1.831 . . . . 0.0 111.016 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' TYR . . . . . 0.937 ' O ' HG23 ' A' ' 148' ' ' VAL . 38.2 t80 -85.78 -41.39 15.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -55.46 34.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.595 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -61.9 -29.49 70.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' PHE . . . . . 0.677 ' CE1' HD12 ' A' ' 151' ' ' LEU . 3.5 t80 -71.52 -29.03 64.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.937 HG23 ' O ' ' A' ' 144' ' ' TYR . 94.9 t -70.86 -36.89 66.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -65.19 -55.96 15.59 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.513 1.133 . . . . 0.0 110.319 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.633 HH21 HG23 ' A' ' 136' ' ' ILE . 0.6 OUTLIER -59.59 -27.22 66.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.365 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.883 ' O ' HD12 ' A' ' 155' ' ' LEU . 1.2 mt -63.67 -41.63 98.16 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -66.58 -42.55 86.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.578 1.174 . . . . 0.0 109.267 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.42 ' C ' ' N ' ' A' ' 155' ' ' LEU . 5.7 mt -64.56 -68.53 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -43.02 -27.77 0.22 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 0.883 HD12 ' O ' ' A' ' 151' ' ' LEU . 1.0 OUTLIER -75.33 -52.87 9.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -52.16 -20.31 2.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 109.374 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -85.04 -24.16 28.29 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 158' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 155' ' ' LEU . . . -143.88 57.2 0.54 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.555 1.159 . . . . 0.0 110.967 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.831 HD21 ' CD1' ' A' ' 168' ' ' ILE . 0.2 OUTLIER -156.46 99.35 2.1 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.51 0.771 . . . . 0.0 109.317 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 168.57 24.55 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.501 1.79 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 163' ' ' THR . 0.0 OUTLIER -64.3 -54.81 27.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 162' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 161' ' ' GLU . . . -36.89 -31.78 0.05 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.534 1.146 . . . . 0.0 111.042 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 163' ' ' THR . . . . . 0.648 HG22 HD11 ' A' ' 159' ' ' LEU . 1.0 OUTLIER -100.0 142.52 24.77 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.578 0.81 . . . . 0.0 110.399 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 164' ' ' PRO . . . . . 0.527 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.2 Cg_endo -75.04 153.0 41.28 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.517 1.799 . . . . 0.0 110.956 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 165' ' ' LYS . . . . . 0.423 ' NZ ' ' HB3' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -120.28 -40.76 2.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 166' ' ' ASP . . . . . 0.541 ' CB ' ' HD3' ' A' ' 167' ' ' PRO . 0.2 OUTLIER -41.96 -54.85 6.75 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.336 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 167' ' ' PRO . . . . . 0.541 ' HD3' ' CB ' ' A' ' 166' ' ' ASP . 18.6 Cg_endo -74.91 -55.59 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.559 1.82 . . . . 0.0 111.072 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 168' ' ' ILE . . . . . 0.831 ' CD1' HD21 ' A' ' 159' ' ' LEU . 0.0 OUTLIER -39.71 -38.01 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 169' ' ' LEU . . . . . 0.515 HD23 HD22 ' A' ' 195' ' ' LEU . 5.4 tp -64.32 -64.72 0.81 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.629 1.206 . . . . 0.0 109.231 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 170' ' ' ARG . . . . . 0.495 ' O ' ' CB ' ' A' ' 174' ' ' TYR . 66.8 mtm180 -52.19 -36.16 51.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 0.0 110.298 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.77 -27.92 67.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.964 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.798 ' CD1' HD11 ' A' ' 155' ' ' LEU . 17.9 mt -84.48 -42.4 15.62 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 173' ' ' ALA . . . . . 0.646 ' O ' ' HB2' ' A' ' 177' ' ' ALA . . . -77.13 -1.29 28.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 174' ' ' TYR . . . . . 0.495 ' CB ' ' O ' ' A' ' 170' ' ' ARG . 52.3 t80 -106.91 -75.8 0.63 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.51 1.131 . . . . 0.0 111.027 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.66 -45.59 70.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.97 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 176' ' ' ASN . . . . . 0.467 ' HB3' ' CB ' ' A' ' 137' ' ' LEU . 3.4 m-20 -100.13 60.73 1.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.445 1.091 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 177' ' ' ALA . . . . . 0.646 ' HB2' ' O ' ' A' ' 173' ' ' ALA . . . -136.8 65.9 1.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 178' ' ' ASN . . . . . 0.538 ' C ' ' O ' ' A' ' 177' ' ' ALA . 10.2 p-10 29.88 -147.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.477 ' N ' ' CG ' ' A' ' 178' ' ' ASN . 0.2 OUTLIER -114.26 -57.03 2.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.429 1.081 . . . . 0.0 109.255 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 180' ' ' GLU . . . . . 0.486 ' N ' ' ND2' ' A' ' 178' ' ' ASN . 0.0 OUTLIER -41.79 -28.02 0.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.322 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 181' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 184' ' ' LEU . 14.5 t -86.93 -67.28 0.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 108.335 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -39.24 -32.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.15 -47.66 17.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.582 1.177 . . . . 0.0 109.347 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.705 HD23 ' O ' ' A' ' 184' ' ' LEU . 2.7 tt -58.67 -50.23 74.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 185' ' ' LEU . . . . . 0.579 HD21 ' SD ' ' A' ' 198' ' ' MET . 4.3 mt -51.87 -60.25 3.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 186' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -53.28 -53.72 46.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.439 1.087 . . . . 0.0 110.31 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -53.6 -34.6 59.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.86 -31.6 71.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 67.69 61.22 5.15 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.477 1.111 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 190' ' ' HIS . . . . . 0.556 ' NE2' HD23 ' A' ' 185' ' ' LEU . 0.9 OUTLIER -152.78 23.43 0.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 0.785 . . . . 0.0 109.571 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -53.14 -43.94 67.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 110.359 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -89.3 63.27 6.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 193' ' ' SER . . . . . 0.538 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER -146.11 179.85 1.09 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.038 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 194' ' ' PRO . . . . . 0.538 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.5 Cg_endo -75.03 175.25 11.5 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.477 1.777 . . . . 0.0 110.967 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 195' ' ' LEU . . . . . 0.515 HD22 HD23 ' A' ' 169' ' ' LEU . 6.0 tp -71.54 -40.96 69.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -42.92 -36.23 2.51 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.51 1.131 . . . . 0.0 110.959 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -78.96 -38.26 37.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.58 0.812 . . . . 0.0 109.354 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 198' ' ' MET . . . . . 0.579 ' SD ' HD21 ' A' ' 185' ' ' LEU . 67.8 mmm -51.65 -42.5 62.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 111.034 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 199' ' ' LEU . . . . . 0.639 HD21 HG11 ' A' ' 148' ' ' VAL . 2.6 mm? -80.25 -26.58 38.96 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.23 -7.43 57.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.261 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -100.69 -37.11 8.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.167 . . . . 0.0 109.352 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 202' ' ' CYS . . . . . . . . . . . . . 14.2 p -84.71 -14.25 48.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 108.34 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 203' ' ' GLN . . . . . 0.429 ' HG3' ' N ' ' A' ' 204' ' ' THR . 17.1 pt20 -49.41 -43.84 44.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 110.271 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 204' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 206' ' ' THR . 0.0 OUTLIER -77.0 -14.48 59.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 110.438 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 205' ' ' TRP . . . . . 0.476 ' HB2' ' CD1' ' A' ' 184' ' ' LEU . 8.6 t90 -71.22 60.79 0.29 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 107.973 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 206' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 204' ' ' THR . 22.0 p -124.95 158.47 62.85 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.454 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 56.56 4.32 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.405 1.739 . . . . 0.0 110.968 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 208' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.96 82.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.443 1.089 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -89.24 155.26 19.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 174.23 132.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 4.0 m 62.81 148.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.4 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -161.22 104.62 1.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.356 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 213' ' ' VAL . . . . . . . . . . . . . 7.9 p -154.52 156.9 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 214' ' ' LEU . . . . . 0.432 ' C ' HD23 ' A' ' 214' ' ' LEU . 7.2 tt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 21.8 p80 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.46 164.73 27.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.527 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -139.81 166.7 23.91 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.448 1.093 . . . . 0.0 109.562 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -148.76 159.69 43.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.588 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -128.44 152.82 47.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.589 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.0 p -169.67 138.03 1.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.985 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 95.2 p -166.77 161.04 15.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.039 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.534 ' O ' ' CG ' ' A' ' 9' ' ' HIS . . . 178.57 -79.48 0.06 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.534 ' CG ' ' O ' ' A' ' 8' ' ' GLY . 27.6 p80 49.45 62.24 2.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.414 0.714 . . . . 0.0 109.568 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.4 mt -137.75 139.43 42.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 109.342 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.82 116.76 13.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.287 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -115.88 -155.19 10.57 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.446 1.091 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.564 ' O ' ' CD2' ' A' ' 14' ' ' HIS . 0.7 OUTLIER -137.89 68.94 1.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 0.726 . . . . 0.0 110.28 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.564 ' CD2' ' O ' ' A' ' 13' ' ' ARG . 7.8 p80 41.13 44.03 2.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.558 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.582 ' CB ' ' CD1' ' A' ' 48' ' ' PHE . 0.0 OUTLIER 80.27 152.74 0.12 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.416 1.072 . . . . 0.0 110.979 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.47 ' CG ' ' HG2' ' A' ' 18' ' ' LYS . 12.2 pt20 -156.3 -155.82 0.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.264 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.456 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -60.01 -57.82 11.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.47 ' HG2' ' CG ' ' A' ' 16' ' ' GLN . 0.5 OUTLIER -44.85 -33.59 2.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.395 1.059 . . . . 0.0 109.257 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.481 ' OD2' ' CD2' ' A' ' 48' ' ' PHE . 1.3 m-20 -77.45 -40.73 42.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.594 ' HA ' HD12 ' A' ' 23' ' ' ILE . 46.5 mt -68.49 -31.39 70.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 31.2 mm100 -67.06 -47.76 70.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 0.0 110.294 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.55 -42.24 98.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.771 ' O ' HG23 ' A' ' 27' ' ' VAL . 32.0 mt -54.14 -54.45 20.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.7 ttpp -52.49 -29.66 26.07 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -70.57 -71.04 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.712 ' CD ' HG23 ' A' ' 40' ' ' THR . 3.7 pt-20 -49.51 -31.03 9.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.771 HG23 ' O ' ' A' ' 23' ' ' ILE . 59.8 t -68.07 -52.43 38.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.1 p -46.11 -33.41 3.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 1.172 . . . . 0.0 109.994 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -69.79 -37.59 76.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 110.277 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 27' ' ' VAL . . . -47.72 166.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.233 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.84 ' HB3' ' OG ' ' A' ' 34' ' ' SER . . . -104.7 163.22 17.66 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.471 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.4 Cg_endo -75.06 117.31 4.85 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 64.78 43.66 95.89 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.461 1.1 . . . . 0.0 110.989 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.84 ' OG ' ' HB3' ' A' ' 31' ' ' ALA . 56.6 p -129.5 156.71 78.18 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.464 0.743 . . . . 0.0 109.971 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 49.38 2.24 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.591 1.838 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 19.0 tp60 -121.53 -47.26 2.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.303 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.644 ' CD1' HG13 ' A' ' 27' ' ' VAL . 5.0 t80 -66.52 -65.44 0.68 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 111.026 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.626 ' CE ' HD22 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -47.23 -40.34 16.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -57.94 -39.97 79.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 110.323 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.712 HG23 ' CD ' ' A' ' 26' ' ' GLU . 1.1 m -65.85 -24.77 66.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 110.346 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.642 HG22 HD21 ' A' ' 118' ' ' LEU . 20.1 mm -70.65 -36.28 64.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.52 -33.74 64.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.249 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.2 tp -63.32 -34.27 77.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.492 ' HB1' ' CE1' ' A' ' 48' ' ' PHE . . . -80.14 -39.1 30.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.716 HG11 HD11 ' A' ' 118' ' ' LEU . 0.4 OUTLIER -71.54 -9.28 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? -109.3 -31.75 7.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -63.48 -61.45 2.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 110.251 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.582 ' CD1' ' CB ' ' A' ' 15' ' ' MET . 0.2 OUTLIER -119.33 -36.37 3.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.985 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 48' ' ' PHE . 6.4 t0 82.09 96.54 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.58 1.175 . . . . 0.0 109.351 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.446 ' HD2' HG23 ' A' ' 45' ' ' VAL . 18.3 Cg_endo -75.0 124.31 8.53 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.447 1.762 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.483 HG23 ' ND1' ' A' ' 14' ' ' HIS . 34.4 p -63.64 -177.01 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.389 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.64 -45.68 66.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.95 -61.88 2.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.352 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -47.16 -36.82 9.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.26 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.984 HD13 ' CG ' ' A' ' 117' ' ' TRP . 15.1 mt -68.3 -49.09 62.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.1 tp60 -50.76 -48.06 59.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.587 1.179 . . . . 0.0 110.287 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.416 ' C ' ' N ' ' A' ' 59' ' ' LEU . 0.4 OUTLIER -70.04 -56.95 5.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.563 ' HB2' HD21 ' A' ' 20' ' ' LEU . 21.1 tp -45.72 -25.97 0.57 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.416 ' N ' ' C ' ' A' ' 57' ' ' ASP . 39.9 tp -74.85 -53.28 9.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.93 23.55 2.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.208 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -119.4 -32.57 4.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.613 HD13 ' HE1' ' A' ' 37' ' ' PHE . 5.7 mt -97.71 -60.96 1.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.564 1.165 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.453 ' SG ' HG12 ' A' ' 67' ' ' VAL . 13.6 p -84.74 -174.69 5.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 108.352 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 13.6 t -94.02 -173.66 3.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.018 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.0 t -71.74 -31.81 67.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.965 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.0 tp -57.71 -67.56 0.32 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.453 HG12 ' SG ' ' A' ' 63' ' ' CYS . 2.2 t -50.14 -52.26 14.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -46.67 -37.9 9.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.216 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.1 p -72.69 -50.33 25.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.147 . . . . 0.0 110.033 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 71.5 mt -52.02 -53.08 46.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.493 ' ND1' ' HB3' ' A' ' 120' ' ' ALA . 0.4 OUTLIER -55.32 -43.0 74.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.081 . . . . 0.0 109.605 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -56.09 -22.4 27.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.646 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -81.13 -71.0 0.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.163 . . . . 0.0 110.358 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.408 ' OE1' ' O ' ' A' ' 120' ' ' ALA . 0.0 OUTLIER -49.37 -35.79 19.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.13 . . . . 0.0 110.288 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.539 HD23 ' HB2' ' A' ' 120' ' ' ALA . 1.2 tm? -72.11 -44.94 62.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -48.56 -49.1 37.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.079 . . . . 0.0 109.351 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.8 t -61.81 -37.13 83.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.978 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.906 HD23 ' HG ' ' A' ' 116' ' ' LEU . 12.3 tp -62.41 -41.59 98.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.076 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.76 HD13 HD11 ' A' ' 116' ' ' LEU . 18.4 mm -55.48 -52.94 41.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.5 t -51.28 -33.52 28.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.955 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -60.94 -43.88 98.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 110.283 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.884 ' HB1' HG12 ' A' ' 87' ' ' ILE . . . -67.73 -62.27 1.49 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -47.29 -33.89 6.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.1 m -65.68 -45.69 81.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 110.458 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -75.89 -3.54 35.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.254 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.69 -8.14 60.19 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.484 1.115 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.95 HG21 HD11 ' A' ' 109' ' ' LEU . 28.8 mt 57.11 163.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.56 0.8 . . . . 0.0 109.221 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.596 HG23 ' H ' ' A' ' 89' ' ' GLY . 1.6 t -49.51 -59.75 3.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.371 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.596 ' H ' HG23 ' A' ' 88' ' ' THR . . . -153.69 54.16 0.44 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.449 1.093 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.7 ' CG ' HD12 ' A' ' 87' ' ' ILE . 48.7 t80 -79.53 154.0 29.13 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 0.754 . . . . 0.0 110.982 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -110.57 99.05 39.7 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -38.26 1.66 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.573 1.828 . . . . 0.0 111.015 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.812 HD22 ' C ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -53.04 -23.09 6.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.464 ' N ' HD13 ' A' ' 93' ' ' LEU . . . -72.75 -65.38 0.8 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.408 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.521 ' N ' ' CD ' ' A' ' 96' ' ' PRO . . . 123.0 -49.31 0.9 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.458 1.099 . . . . 0.0 111.012 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.521 ' CD ' ' N ' ' A' ' 95' ' ' GLY . 18.5 Cg_endo -74.95 160.61 40.09 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.498 1.789 . . . . 0.0 111.064 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.703 HD22 HG23 ' A' ' 79' ' ' ILE . 34.2 tp -120.37 -47.78 2.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.12 -26.58 67.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 45.5 t -61.92 -47.73 91.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.167 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 29.1 mp0 -69.08 -35.16 76.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 0.0 110.33 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.2 -36.11 76.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -81.62 -11.02 59.27 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.454 1.096 . . . . 0.0 109.266 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -81.32 125.34 79.29 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.05 47.08 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.501 1.79 . . . . 0.0 110.995 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -145.86 17.59 1.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.423 ' OE1' HD12 ' A' ' 109' ' ' LEU . 40.0 mm-40 -143.55 61.59 1.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 110.291 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -30.48 69.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -65.96 -53.08 32.45 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.433 1.083 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.95 HD11 HG21 ' A' ' 87' ' ' ILE . 1.1 mt -71.37 -42.71 68.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 0.736 . . . . 0.0 109.242 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -48.11 -46.15 33.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 114' ' ' GLN . 61.3 mtt180 -69.88 -61.79 1.64 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 110.314 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.5 ' HG2' HD23 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -42.77 -27.12 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.588 1.18 . . . . 0.0 110.278 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.441 ' N ' ' HG3' ' A' ' 112' ' ' GLU . 7.2 t80 -76.72 -43.76 36.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 111' ' ' ARG . 53.4 mm-40 -52.26 -38.63 58.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.331 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -78.96 -59.08 2.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.087 . . . . 0.0 110.253 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.906 ' HG ' HD23 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -44.52 -37.31 3.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.19 -179.911 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.984 ' CG ' HD13 ' A' ' 55' ' ' LEU . 61.2 t90 -66.05 -60.22 3.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 107.977 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.716 HD11 HG11 ' A' ' 45' ' ' VAL . 74.7 mt -51.03 -25.44 4.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.103 . . . . 0.0 109.318 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.654 ' HB3' ' O ' ' A' ' 116' ' ' LEU . . . -62.45 -65.44 0.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.539 ' HB2' HD23 ' A' ' 75' ' ' LEU . . . -50.65 -45.04 57.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.579 ' CE2' ' CH2' ' A' ' 117' ' ' TRP . 0.4 OUTLIER -57.02 -31.54 65.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.155 . . . . 0.0 110.942 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -101.57 10.08 40.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.461 ' HB3' ' HA ' ' A' ' 120' ' ' ALA . . . -105.42 -0.07 26.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 82.4 mt -62.78 154.9 73.34 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.258 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 55.89 4.07 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.417 1.746 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 127' ' ' SER . . . 104.1 48.88 1.11 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.52 1.138 . . . . 0.0 111.027 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 126' ' ' GLY . 1.6 t -39.08 123.36 1.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.42 0.718 . . . . 0.0 110.058 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 63.77 72.31 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -88.25 -168.78 2.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 21.0 p-10 -168.47 126.9 0.94 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 109.314 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.718 ' HG2' ' HB2' ' A' ' 134' ' ' ALA . 18.4 Cg_endo -74.97 159.12 41.83 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.475 1.776 . . . . 0.0 111.073 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 72.4 m -75.1 -29.44 60.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.013 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.815 ' HA ' HD12 ' A' ' 136' ' ' ILE . 29.3 p-90 -75.37 -13.11 60.38 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.554 1.159 . . . . 0.0 107.976 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.718 ' HB2' ' HG2' ' A' ' 131' ' ' PRO . . . -68.09 -9.43 46.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.133 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 71.0 m -131.28 31.13 4.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 109.964 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.815 HD12 ' HA ' ' A' ' 133' ' ' TRP . 97.0 mt -118.87 115.85 49.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.838 HD23 ' HB3' ' A' ' 176' ' ' ASN . 0.7 OUTLIER -136.26 162.28 33.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.574 1.171 . . . . 0.0 109.349 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 138' ' ' GLN . . . . . 0.475 ' CA ' ' OE1' ' A' ' 138' ' ' GLN . 4.9 tp60 -93.0 98.96 11.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 110.266 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' GLY . . . . . 0.472 ' O ' ' NE2' ' A' ' 138' ' ' GLN . . . -63.34 154.15 45.23 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.436 1.085 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.401 HD22 ' O ' ' A' ' 140' ' ' LEU . 2.3 tm? -66.38 -24.26 66.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 0.765 . . . . 0.0 109.307 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -117.04 40.71 2.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.271 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -139.99 159.6 63.77 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.235 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 110.27 3.08 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.475 1.776 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' TYR . . . . . 0.769 ' O ' HG23 ' A' ' 148' ' ' VAL . 19.4 t80 -71.69 -48.35 47.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -52.09 -53.74 38.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.534 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -59.42 -40.03 85.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.233 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' PHE . . . . . 0.591 ' CZ ' ' O ' ' A' ' 137' ' ' LEU . 0.1 OUTLIER -58.62 -46.0 88.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 111.007 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.769 HG23 ' O ' ' A' ' 144' ' ' TYR . 25.3 t -54.81 -42.54 62.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -61.56 -60.77 3.19 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.135 . . . . 0.0 110.328 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.584 ' HA ' HD12 ' A' ' 153' ' ' ILE . 0.0 OUTLIER -55.09 -26.9 41.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.343 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.463 ' HB3' ' CD1' ' A' ' 169' ' ' LEU . 1.3 mt -64.68 -53.31 49.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.577 1.173 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -57.85 -37.98 74.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.584 HD12 ' HA ' ' A' ' 150' ' ' ARG . 39.2 mt -65.88 -69.67 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.354 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -43.87 -29.74 0.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.259 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 0.602 HD23 HD23 ' A' ' 159' ' ' LEU . 9.2 mt -74.17 -51.1 16.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -53.62 -20.19 4.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -115.04 24.55 11.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.248 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -173.27 33.13 0.11 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.506 1.128 . . . . 0.0 110.96 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.602 HD23 HD23 ' A' ' 155' ' ' LEU . 0.2 OUTLIER -148.23 109.19 3.67 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.748 . . . . 0.0 109.287 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 154.69 42.74 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.572 1.828 . . . . 0.0 111.072 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -66.13 -39.36 89.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 110.324 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -40.27 -32.65 0.44 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 163' ' ' THR . . . . . 0.413 HG23 ' HD2' ' A' ' 164' ' ' PRO . 0.6 OUTLIER -115.42 147.86 39.64 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.488 0.758 . . . . 0.0 110.391 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 164' ' ' PRO . . . . . 0.413 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.6 Cg_endo -74.92 147.82 34.82 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.536 1.808 . . . . 0.0 111.035 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.45 -30.32 7.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 166' ' ' ASP . . . . . 0.516 ' N ' ' CD ' ' A' ' 167' ' ' PRO . 0.2 OUTLIER -41.1 -51.92 7.39 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 167' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 166' ' ' ASP . 18.4 Cg_endo -74.96 -52.42 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.54 1.81 . . . . 0.0 110.981 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 168' ' ' ILE . . . . . 0.517 ' CD1' HD21 ' A' ' 159' ' ' LEU . 0.0 OUTLIER -45.91 -44.08 4.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.587 1.18 . . . . 0.0 109.344 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 169' ' ' LEU . . . . . 0.463 ' CD1' ' HB3' ' A' ' 151' ' ' LEU . 20.0 tp -63.26 -67.06 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 170' ' ' ARG . . . . . 0.43 ' HB3' ' NH1' ' A' ' 170' ' ' ARG . 10.5 ttp-105 -43.57 -28.84 0.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.362 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 171' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 175' ' ' SER . 0.2 OUTLIER -78.6 -49.42 13.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.99 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.661 HD21 ' HE3' ' A' ' 133' ' ' TRP . 35.7 mt -56.8 -24.78 53.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.565 1.166 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 173' ' ' ALA . . . . . 0.712 ' O ' ' HB2' ' A' ' 177' ' ' ALA . . . -87.91 -69.82 0.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 174' ' ' TYR . . . . . 0.466 ' O ' ' N ' ' A' ' 176' ' ' ASN . 14.1 t80 -66.6 -67.73 0.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 0.0 111.019 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 175' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 171' ' ' SER . 0.3 OUTLIER -37.53 -31.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.015 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 176' ' ' ASN . . . . . 0.838 ' HB3' HD23 ' A' ' 137' ' ' LEU . 38.4 m-20 -126.25 55.05 1.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 177' ' ' ALA . . . . . 0.712 ' HB2' ' O ' ' A' ' 173' ' ' ALA . . . -115.57 142.25 46.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 178' ' ' ASN . . . . . 0.632 ' ND2' ' H ' ' A' ' 181' ' ' CYS . 7.1 p-10 -53.54 -172.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.42 ' C ' ' N ' ' A' ' 181' ' ' CYS . 0.2 OUTLIER -76.09 -62.87 1.46 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -44.23 -25.2 0.21 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.543 1.152 . . . . 0.0 110.295 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 181' ' ' CYS . . . . . 0.632 ' H ' ' ND2' ' A' ' 178' ' ' ASN . 1.2 m -81.7 -69.04 0.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 108.327 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -43.2 -39.25 2.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 110.312 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -41.48 75.9 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.668 ' C ' HD23 ' A' ' 184' ' ' LEU . 3.0 tt -64.74 -57.66 8.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 185' ' ' LEU . . . . . 0.75 HD11 ' HE3' ' A' ' 198' ' ' MET . 5.4 mt -46.64 -49.87 18.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 186' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 189' ' ' GLY . 0.3 OUTLIER -61.0 -62.05 2.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 110.279 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -47.56 -29.27 2.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.42 1.075 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 188' ' ' ARG . . . . . 0.53 HH12 HG21 ' A' ' 204' ' ' THR . 0.1 OUTLIER -72.23 -38.43 68.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.338 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 189' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 186' ' ' GLN . . . 75.75 57.67 4.07 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.5 1.125 . . . . 0.0 111.067 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 190' ' ' HIS . . . . . 0.584 ' NE2' HD23 ' A' ' 185' ' ' LEU . 0.8 OUTLIER -154.34 23.81 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 0.801 . . . . 0.0 109.606 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -51.77 -44.65 63.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.44 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -92.9 66.73 4.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.361 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 193' ' ' SER . . . . . 0.545 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER -145.54 -179.85 1.03 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.079 . . . . 0.0 109.971 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 194' ' ' PRO . . . . . 0.545 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.0 Cg_endo -74.99 171.72 17.77 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.502 1.791 . . . . 0.0 110.978 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 195' ' ' LEU . . . . . 0.562 HD21 ' CG1' ' A' ' 148' ' ' VAL . 9.7 tp -65.81 -39.58 91.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -45.15 -38.25 6.21 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.471 1.107 . . . . 0.0 111.049 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 197' ' ' ASP . . . . . 0.424 ' HB3' ' ND1' ' A' ' 190' ' ' HIS . 8.8 m-20 -76.77 -32.58 57.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 198' ' ' MET . . . . . 0.75 ' HE3' HD11 ' A' ' 185' ' ' LEU . 68.5 mmm -61.91 -47.47 84.79 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.439 1.087 . . . . 0.0 111.021 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 199' ' ' LEU . . . . . 0.661 HD21 HG11 ' A' ' 148' ' ' VAL . 2.1 mm? -74.69 -19.72 60.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.344 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.33 -10.08 53.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -99.06 -30.45 12.32 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.463 1.102 . . . . 0.0 109.347 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 202' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 205' ' ' TRP . 13.9 p -91.4 -14.57 30.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 108.341 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 203' ' ' GLN . . . . . 0.4 ' HG3' ' N ' ' A' ' 204' ' ' THR . 9.0 pt20 -46.64 -34.23 4.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.378 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 204' ' ' THR . . . . . 0.53 HG21 HH12 ' A' ' 188' ' ' ARG . 0.0 OUTLIER -85.69 -25.34 26.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.406 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 205' ' ' TRP . . . . . 0.471 ' HB2' ' CD1' ' A' ' 184' ' ' LEU . 6.1 t90 -71.34 61.2 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 108.04 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 206' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 204' ' ' THR . 45.2 p -142.3 152.08 59.94 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.592 1.183 . . . . 0.0 110.366 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 91.23 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.51 1.795 . . . . 0.0 111.019 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 208' ' ' LYS . . . . . . . . . . . . . 11.0 ttmt -169.19 101.17 0.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 172.81 -58.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -174.52 174.8 2.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.414 1.071 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 21.0 m -70.88 114.75 9.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.403 1.064 . . . . 0.0 110.406 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.8 146.49 1.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 213' ' ' VAL . . . . . . . . . . . . . 80.8 t -48.0 -68.05 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 214' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.572 ' HG3' ' CZ ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.418 0.151 . . . . 0.0 111.022 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.423 ' HG3' ' CG ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -80.27 -167.66 1.4 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.605 1.191 . . . . 0.0 110.235 -179.916 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.7 tpt -72.54 -57.39 4.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.423 ' CG ' ' HG3' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -47.61 -31.94 5.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.414 ' N ' ' HG3' ' A' ' 18' ' ' LYS . 38.1 m-20 -63.82 -43.64 95.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.517 HD21 ' HE1' ' A' ' 15' ' ' MET . 8.1 mt -71.29 -32.15 68.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 109.349 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 73.2 mm-40 -64.27 -41.99 96.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 110.336 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.29 -45.82 89.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.385 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.653 HG22 HD11 ' A' ' 62' ' ' LEU . 43.2 mt -57.35 -48.5 82.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.344 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.522 ' HA ' HD21 ' A' ' 62' ' ' LEU . 0.4 OUTLIER -49.48 -35.96 21.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 28' ' ' SER . 6.0 mt-30 -69.55 -72.74 0.18 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.51 1.131 . . . . 0.0 110.336 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.445 ' CG ' ' HA ' ' A' ' 23' ' ' ILE . 14.0 pt-20 -44.28 -26.32 0.31 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.544 1.152 . . . . 0.0 110.296 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.578 HG13 ' HD1' ' A' ' 37' ' ' PHE . 13.2 t -81.49 -43.85 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' GLN . 0.1 OUTLIER -51.25 -26.77 7.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 110.014 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.64 -37.57 56.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.38 166.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.446 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -107.07 162.98 17.93 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.411 1.069 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.446 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.2 Cg_endo -75.04 112.62 3.6 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.425 1.75 . . . . 0.0 111.047 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 72.45 49.35 20.01 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.428 1.08 . . . . 0.0 111.003 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.6 155.3 75.3 Favored Pre-proline 0 C--N 1.323 -0.545 0 O-C-N 124.518 0.775 . . . . 0.0 110.03 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 49.92 2.41 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.422 1.749 . . . . 0.0 110.966 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.5 tp60 -121.12 -47.25 2.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 110.336 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.578 ' HD1' HG13 ' A' ' 27' ' ' VAL . 3.6 t80 -66.12 -62.58 1.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.606 ' HE1' HD22 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -50.25 -47.05 55.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.96 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -53.36 -42.68 67.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.267 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.478 HG21 HG23 ' A' ' 27' ' ' VAL . 1.3 m -61.82 -26.14 67.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 110.37 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.676 HG22 HD21 ' A' ' 118' ' ' LEU . 20.1 mm -68.83 -49.68 61.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.374 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.532 ' HG3' HD13 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -59.54 -27.1 65.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.107 . . . . 0.0 110.354 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.1 tp -69.95 -40.66 75.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.226 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.15 -39.97 71.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.473 HG22 ' HD2' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -69.11 -31.44 50.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -86.35 -12.33 49.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 110.245 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -80.59 -72.45 0.41 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.572 ' CZ ' ' HG3' ' A' ' 15' ' ' MET . 9.4 p90 -113.15 -25.53 8.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.941 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.403 ' OD1' ' C ' ' A' ' 48' ' ' PHE . 1.4 m-20 72.79 93.92 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.473 ' HD2' HG22 ' A' ' 45' ' ' VAL . 18.4 Cg_endo -74.95 125.48 9.38 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.547 1.814 . . . . 0.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.5 p -58.84 -170.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.418 1.074 . . . . 0.0 110.36 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.7 -44.54 85.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.083 . . . . 0.0 109.273 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.19 -56.62 16.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -53.73 -49.6 67.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 1.024 HD13 ' CG ' ' A' ' 117' ' ' TRP . 13.6 mt -51.79 -41.45 61.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.85 -56.23 15.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.332 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -65.07 -51.5 61.09 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.412 1.07 . . . . 0.0 109.248 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.455 HD22 ' HE1' ' A' ' 15' ' ' MET . 21.1 tp -46.07 -32.2 2.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 36.8 tp -69.29 -50.34 47.69 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.486 1.116 . . . . 0.0 109.247 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.81 23.52 2.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.311 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.434 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 91.3 t80 -116.44 -52.94 2.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.575 1.172 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.653 HD11 HG22 ' A' ' 23' ' ' ILE . 10.1 mt -98.34 -58.22 2.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.469 ' HB3' ' CG1' ' A' ' 67' ' ' VAL . 22.9 m -59.22 171.06 0.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 108.328 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.28 171.44 9.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.976 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.561 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 40.6 t -58.17 -70.75 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.986 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.6 tp -45.3 -54.22 7.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.469 ' CG1' ' HB3' ' A' ' 63' ' ' CYS . 1.4 t -46.63 -45.59 7.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 65' ' ' SER . . . -52.06 -42.11 62.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.7 t -65.31 -60.36 3.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.018 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 89.7 mt -46.45 -47.82 19.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.746 ' NE2' ' HB3' ' A' ' 120' ' ' ALA . 65.8 t-80 -62.84 -46.34 88.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.619 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.81 -34.27 53.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.587 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -73.38 -36.1 66.02 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.445 1.091 . . . . 0.0 110.335 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -58.72 -56.46 21.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.143 . . . . 0.0 110.346 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.641 HD22 HD21 ' A' ' 116' ' ' LEU . 4.7 mt -54.42 -53.28 56.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.73 -36.16 0.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.14 -51.49 9.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 110.013 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.844 HD23 ' HG ' ' A' ' 116' ' ' LEU . 4.6 tp -49.34 -52.9 25.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.526 HG12 HD21 ' A' ' 97' ' ' LEU . 1.2 mp -56.94 -44.38 82.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.1 p -44.71 -35.2 2.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.991 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -77.45 -36.25 53.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 110.305 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.793 ' HB1' HG12 ' A' ' 87' ' ' ILE . . . -69.13 -69.36 0.34 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.234 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -44.94 -37.88 4.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.362 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.5 m -59.96 -42.89 95.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.379 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.47 -0.31 41.16 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.552 1.157 . . . . 0.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.7 -8.76 61.35 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.604 1.19 . . . . 0.0 111.043 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.837 HG21 HD11 ' A' ' 109' ' ' LEU . 37.0 mt 59.48 154.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 0.759 . . . . 0.0 109.322 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.676 HG23 ' H ' ' A' ' 89' ' ' GLY . 0.1 OUTLIER -36.3 -80.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.531 1.144 . . . . 0.0 110.431 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.676 ' H ' HG23 ' A' ' 88' ' ' THR . . . -134.56 54.34 0.76 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.475 1.109 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.454 ' CB ' ' HB ' ' A' ' 87' ' ' ILE . 35.6 t80 -81.18 163.75 22.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 0.765 . . . . 0.0 110.982 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -115.95 87.57 19.13 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.105 0 O-C-N 124.503 1.791 . . . . 0.0 110.959 -179.983 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.493 ' HB2' ' CG2' ' A' ' 99' ' ' VAL . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.875 0 N-CA-C 110.971 -0.434 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.526 HD21 HG12 ' A' ' 79' ' ' ILE . 11.5 tp -120.65 -62.84 1.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.457 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 0.0 OUTLIER -46.05 -29.22 1.4 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 0.0 110.323 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.493 ' CG2' ' HB2' ' A' ' 96' ' ' PRO . 89.4 t -61.06 -44.99 99.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.475 ' CG ' ' OE1' ' A' ' 106' ' ' GLN . 21.8 mp0 -67.38 -32.79 73.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.95 -20.23 59.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.575 1.172 . . . . 0.0 109.338 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 98' ' ' ARG . 56.5 m-80 -102.74 1.24 34.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.245 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -80.35 125.01 82.08 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.612 1.195 . . . . 0.0 109.228 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 48.08 1.9 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 0.0 111.07 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -144.33 -45.43 0.25 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.475 ' OE1' ' CG ' ' A' ' 100' ' ' GLN . 28.6 mt-30 -79.65 108.94 13.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.302 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -103.19 -24.22 13.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 110.352 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -72.27 -48.35 25.42 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.55 1.156 . . . . 0.0 111.039 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.837 HD11 HG21 ' A' ' 87' ' ' ILE . 0.5 OUTLIER -75.85 -44.27 41.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 0.759 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.43 -46.43 37.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.16 -47.97 69.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -54.01 -35.72 62.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 110.234 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -67.27 -39.42 86.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.82 -46.45 84.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.289 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.43 -39.76 58.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.158 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.844 ' HG ' HD23 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -57.36 -44.57 84.49 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 1.024 ' CG ' HD13 ' A' ' 55' ' ' LEU . 48.2 t90 -61.47 -61.83 2.26 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.458 1.099 . . . . 0.0 108.068 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.676 HD21 HG22 ' A' ' 41' ' ' ILE . 85.2 mt -44.82 -31.44 1.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.734 ' HB3' ' O ' ' A' ' 116' ' ' LEU . . . -58.47 -59.02 6.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.746 ' HB3' ' NE2' ' A' ' 71' ' ' HIS . . . -61.22 -32.12 71.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.797 ' CE1' ' CZ2' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -67.04 -27.6 67.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -102.79 2.41 35.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.261 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -98.01 1.92 48.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 109.352 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.409 ' HA ' ' HD3' ' A' ' 125' ' ' PRO . 61.9 mt -73.49 147.39 87.22 Favored Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 124' ' ' LEU . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.089 0 O-C-N 124.601 1.842 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . 0.411 ' O ' ' HB3' ' A' ' 134' ' ' ALA . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.89 0 N-CA-C 111.031 -0.411 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.81 -27.42 57.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.974 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.836 ' HA ' HD12 ' A' ' 136' ' ' ILE . 22.2 p-90 -73.03 -15.08 61.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.17 . . . . 0.0 107.968 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 131' ' ' PRO . . . -64.89 -11.86 42.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.64 34.48 3.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.021 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.836 HD12 ' HA ' ' A' ' 133' ' ' TRP . 53.2 mt -117.94 118.27 57.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.609 1.193 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -137.98 158.57 44.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.35 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . 0.581 ' HG2' ' CD2' ' A' ' 147' ' ' PHE . 0.1 OUTLIER -74.08 117.74 16.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -66.78 150.41 51.92 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.587 1.18 . . . . 0.0 111.001 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.701 HD13 ' O ' ' A' ' 140' ' ' LEU . 1.6 tm? -59.54 -22.07 61.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 0.736 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -135.33 53.29 1.98 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.269 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -126.0 160.7 55.57 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.311 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . 0.587 ' HB2' ' HB3' ' A' ' 146' ' ' ALA . 18.1 Cg_endo -75.02 80.88 2.34 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.576 1.829 . . . . 0.0 110.969 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' TYR . . . . . 1.022 ' O ' HG23 ' A' ' 148' ' ' VAL . 30.6 t80 -36.84 -51.34 0.89 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 0.0 111.024 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' HIS . . . . . 0.456 ' HA ' HD12 ' A' ' 199' ' ' LEU . 1.2 t-160 -54.58 -57.9 9.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.601 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.587 ' HB3' ' HB2' ' A' ' 143' ' ' PRO . . . -58.45 -39.81 80.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . 0.615 ' CZ ' HD12 ' A' ' 151' ' ' LEU . 6.6 t80 -59.9 -48.29 82.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 111.044 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 1.022 HG23 ' O ' ' A' ' 144' ' ' TYR . 21.5 t -55.5 -45.99 78.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -55.77 -57.34 12.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.424 1.078 . . . . 0.0 110.278 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 153' ' ' ILE . 6.3 ttm105 -55.29 -52.48 63.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.291 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.718 ' O ' HD12 ' A' ' 155' ' ' LEU . 0.5 OUTLIER -41.02 -41.3 1.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . 0.516 ' OD1' HD22 ' A' ' 169' ' ' LEU . 3.9 t30 -64.58 -48.4 75.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . 0.448 ' N ' ' O ' ' A' ' 150' ' ' ARG . 51.1 mt -63.54 -69.31 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 153' ' ' ILE . . . -39.64 -30.85 0.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 0.718 HD12 ' O ' ' A' ' 151' ' ' LEU . 2.5 mt -68.45 -63.97 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.342 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -49.62 -22.82 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . 0.403 ' N ' ' C ' ' A' ' 155' ' ' LEU . 0.6 OUTLIER -65.26 -24.57 67.35 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -150.39 43.57 0.72 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.541 1.151 . . . . 0.0 110.975 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.671 HD12 ' HB2' ' A' ' 165' ' ' LYS . 0.3 OUTLIER -122.43 102.72 39.14 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.536 0.786 . . . . 0.0 109.335 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 139.71 24.76 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.425 1.75 . . . . 0.0 111.043 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -50.22 -31.8 14.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -59.92 -23.3 58.99 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.491 1.12 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' THR . . . . . 0.627 HG23 ' HD2' ' A' ' 164' ' ' PRO . 1.5 m -114.45 143.23 29.47 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.491 0.759 . . . . 0.0 110.382 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 164' ' ' PRO . . . . . 0.627 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.2 Cg_endo -74.96 147.96 34.81 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.42 1.747 . . . . 0.0 110.99 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 165' ' ' LYS . . . . . 0.671 ' HB2' HD12 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -119.75 -39.82 2.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . 0.503 ' N ' ' CD ' ' A' ' 167' ' ' PRO . 0.5 OUTLIER -40.3 -51.97 5.99 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 167' ' ' PRO . . . . . 0.503 ' CD ' ' N ' ' A' ' 166' ' ' ASP . 18.3 Cg_endo -74.99 -55.26 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.552 1.817 . . . . 0.0 111.003 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 168' ' ' ILE . . . . . 0.403 HG21 HD22 ' A' ' 155' ' ' LEU . 0.0 OUTLIER -41.56 -40.67 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 169' ' ' LEU . . . . . 0.516 HD22 ' OD1' ' A' ' 152' ' ' ASN . 68.2 tp -63.02 -55.86 21.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 8.4 mtm180 -57.97 -17.75 19.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.286 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 171' ' ' SER . . . . . 0.45 ' O ' ' CB ' ' A' ' 175' ' ' SER . 0.2 OUTLIER -87.49 -36.18 17.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 109.969 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.59 HD21 ' CE3' ' A' ' 133' ' ' TRP . 6.0 mt -78.74 -20.62 49.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.224 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 173' ' ' ALA . . . . . 0.55 ' O ' ' HB2' ' A' ' 177' ' ' ALA . . . -84.75 -33.99 22.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 174' ' ' TYR . . . . . 0.407 ' C ' ' N ' ' A' ' 176' ' ' ASN . 5.0 t80 -107.45 -73.27 0.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 171' ' ' SER . 0.1 OUTLIER -39.9 -31.55 0.12 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.055 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 176' ' ' ASN . . . . . 0.407 ' N ' ' C ' ' A' ' 174' ' ' TYR . 3.7 m-80 -117.26 60.31 0.76 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.419 1.074 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 177' ' ' ALA . . . . . 0.55 ' HB2' ' O ' ' A' ' 173' ' ' ALA . . . -126.31 140.0 52.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.554 1.159 . . . . 0.0 109.236 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 178' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 140' ' ' LEU . 0.7 OUTLIER -46.96 172.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.419 ' C ' ' N ' ' A' ' 181' ' ' CYS . 5.0 mtmm -61.13 -71.88 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . 0.403 ' HB2' HD21 ' A' ' 140' ' ' LEU . 0.1 OUTLIER -43.69 -26.4 0.24 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.261 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 181' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 184' ' ' LEU . 1.8 t -75.06 -65.09 0.92 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.558 1.161 . . . . 0.0 108.282 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -48.69 -33.98 11.09 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 110.314 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -71.35 -32.06 68.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.44 1.088 . . . . 0.0 109.218 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.566 HD23 ' O ' ' A' ' 184' ' ' LEU . 2.8 tt -68.84 -56.2 8.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.249 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 185' ' ' LEU . . . . . 0.549 ' CD2' ' NE2' ' A' ' 190' ' ' HIS . 3.1 mt -49.19 -52.19 28.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.584 1.177 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 186' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 189' ' ' GLY . 0.8 OUTLIER -60.78 -57.77 11.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.233 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -51.01 -22.6 2.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.26 -28.86 26.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.082 . . . . 0.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 189' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 186' ' ' GLN . . . 64.76 61.26 6.04 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 190' ' ' HIS . . . . . 0.549 ' NE2' ' CD2' ' A' ' 185' ' ' LEU . 0.4 OUTLIER -154.86 29.45 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 0.732 . . . . 0.0 109.658 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 77.4 p -56.82 -61.74 2.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.425 1.078 . . . . 0.0 110.395 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -75.25 61.36 1.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.245 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 193' ' ' SER . . . . . 0.54 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER -140.78 -179.57 1.02 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.014 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . 0.54 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.1 Cg_endo -75.09 172.56 16.11 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.455 1.766 . . . . 0.0 110.981 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 195' ' ' LEU . . . . . 0.98 HD12 ' SD ' ' A' ' 198' ' ' MET . 9.8 tp -71.01 -40.01 72.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -45.92 -36.98 7.11 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.584 1.178 . . . . 0.0 110.936 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 197' ' ' ASP . . . . . 0.413 ' HB3' ' ND1' ' A' ' 190' ' ' HIS . 7.3 m-20 -75.08 -32.31 61.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 0.751 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 198' ' ' MET . . . . . 0.98 ' SD ' HD12 ' A' ' 195' ' ' LEU . 71.2 mtp -63.7 -37.56 87.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 199' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 145' ' ' HIS . 3.0 mm? -77.03 -24.03 52.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.19 -13.34 50.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.354 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -92.13 -29.82 16.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 202' ' ' CYS . . . . . 0.608 ' SG ' ' CD2' ' A' ' 144' ' ' TYR . 64.0 m -93.91 -21.07 19.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 108.282 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 203' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 202' ' ' CYS . 13.0 pt20 -38.15 -32.35 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 204' ' ' THR . . . . . 0.419 ' N ' ' O ' ' A' ' 202' ' ' CYS . 4.6 t . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.362 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.594 ' SD ' ' CZ ' ' A' ' 48' ' ' PHE . 1.3 tpt . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.487 0.184 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -98.05 163.32 12.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 110.278 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -43.68 -29.77 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 111.037 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.08 -56.02 25.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -50.58 -52.02 42.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.609 HD21 ' HB2' ' A' ' 58' ' ' LEU . 14.2 mt -58.78 -38.06 77.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.9 -55.19 37.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.41 ' O ' ' CD ' ' A' ' 26' ' ' GLU . . . -54.56 -41.58 69.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.561 HD12 ' HA ' ' A' ' 20' ' ' LEU . 48.5 mt -60.74 -50.71 79.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.339 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.732 ' HA ' HD21 ' A' ' 62' ' ' LEU . 2.6 tttp -56.28 -30.3 62.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -72.83 -72.44 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.579 1.175 . . . . 0.0 110.3 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.46 ' HG3' ' CG2' ' A' ' 40' ' ' THR . 1.0 OUTLIER -45.04 -31.53 1.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.822 HG23 HG21 ' A' ' 40' ' ' THR . 3.3 t -71.83 -54.95 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.66 -48.02 2.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.981 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -54.89 -43.33 73.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.324 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 36' ' ' GLN . . . -52.61 170.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.664 ' HB3' ' HB2' ' A' ' 34' ' ' SER . . . -114.96 163.38 19.87 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.466 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.2 Cg_endo -75.02 74.71 3.93 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.498 1.789 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 142.79 -26.12 2.24 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.524 1.14 . . . . 0.0 110.958 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.664 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -65.14 141.22 98.22 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.472 0.748 . . . . 0.0 110.005 -179.899 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 51.82 2.89 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.455 1.766 . . . . 0.0 110.939 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.469 ' HB3' ' CB ' ' A' ' 30' ' ' ALA . 2.2 tp60 -120.94 -44.84 2.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 110.292 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.502 ' HD1' HG13 ' A' ' 27' ' ' VAL . 4.2 t80 -61.26 -61.63 2.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.604 ' HE1' HD22 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -52.14 -45.07 64.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.997 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -55.85 -44.13 77.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 110.275 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.822 HG21 HG23 ' A' ' 27' ' ' VAL . 1.1 m -57.64 -30.05 65.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 110.385 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.764 HG22 HD21 ' A' ' 118' ' ' LEU . 5.2 mm -68.47 -42.66 83.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.37 -29.21 66.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.79 -32.05 72.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.421 1.075 . . . . 0.0 109.293 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -83.16 -36.0 25.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -71.96 -25.0 23.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -95.44 -14.4 23.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 0.0 110.322 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -79.41 -76.13 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.274 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.594 ' CZ ' ' SD ' ' A' ' 15' ' ' MET . 5.2 p90 -110.24 -22.32 11.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.965 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 71.5 95.14 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.246 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.01 118.95 5.45 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.475 1.776 . . . . 0.0 110.989 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 31.5 p -56.01 164.94 1.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.416 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.455 ' HB3' ' HB2' ' A' ' 98' ' ' ARG . . . -46.36 -36.26 6.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.583 1.177 . . . . 0.0 109.31 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -62.24 -59.15 5.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.233 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -54.65 -27.8 42.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.999 HD13 ' CG ' ' A' ' 117' ' ' TRP . 12.6 mt -70.09 -46.98 63.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.076 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -52.07 -48.2 64.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.406 ' C ' ' N ' ' A' ' 59' ' ' LEU . 1.1 t70 -70.77 -53.89 13.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.259 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.609 ' HB2' HD21 ' A' ' 20' ' ' LEU . 17.1 tp -48.1 -24.43 1.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.406 ' N ' ' C ' ' A' ' 57' ' ' ASP . 34.1 tp -76.98 -50.02 14.13 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.509 1.131 . . . . 0.0 109.258 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -89.13 22.25 2.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.563 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 58.4 t80 -120.18 -36.14 3.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.732 HD21 ' HA ' ' A' ' 24' ' ' LYS . 4.2 mt -91.98 -61.96 1.52 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.437 ' SG ' HG12 ' A' ' 67' ' ' VAL . 13.7 p -86.59 179.1 6.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 108.246 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.76 -162.59 0.79 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.123 . . . . 0.0 110.029 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 64.4 m -81.8 -37.2 27.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.011 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.2 tp -55.98 -62.46 1.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.465 HG13 HD13 ' A' ' 124' ' ' LEU . 2.7 t -51.11 -52.4 18.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.554 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -49.69 -36.14 24.11 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 p -71.79 -41.68 68.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.007 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 52.6 mt -61.69 -49.0 78.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.589 1.181 . . . . 0.0 109.303 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.9 -34.82 76.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.622 1.201 . . . . 0.0 109.565 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.554 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 19.8 m-70 -56.97 -36.11 69.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.414 1.071 . . . . 0.0 109.64 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -69.84 -53.54 17.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.085 . . . . 0.0 110.328 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.421 ' OE1' ' HB1' ' A' ' 123' ' ' ALA . 0.5 OUTLIER -56.65 -45.15 81.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.762 HD11 HD21 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -58.07 -45.99 86.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -55.39 -57.59 11.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.92 -29.39 65.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.069 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.873 HD23 ' HG ' ' A' ' 116' ' ' LEU . 2.1 tp -64.58 -68.3 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.538 HD12 HD13 ' A' ' 75' ' ' LEU . 1.3 mp -50.11 -43.98 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.0 t -46.38 -40.12 11.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.436 1.085 . . . . 0.0 109.982 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -74.58 -29.27 61.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 110.301 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.91 ' HB1' HG12 ' A' ' 87' ' ' ILE . . . -65.75 -60.74 2.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -53.86 -38.86 65.14 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.4 m -65.09 -48.08 74.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 110.435 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.25 -0.02 23.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 110.265 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 73.4 93.01 0.11 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.441 1.088 . . . . 0.0 110.898 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.91 HG12 ' HB1' ' A' ' 82' ' ' ALA . 62.8 mt -57.89 151.6 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.561 0.801 . . . . 0.0 109.303 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.65 HG23 ' H ' ' A' ' 89' ' ' GLY . 0.1 OUTLIER -38.76 -84.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.432 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.65 ' H ' HG23 ' A' ' 88' ' ' THR . . . -129.2 60.26 0.68 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.512 1.132 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -82.12 148.46 28.52 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.472 0.748 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -112.6 96.24 35.82 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.413 1.071 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.511 1.795 . . . . 0.0 110.99 -179.976 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.481 ' HB2' ' CG2' ' A' ' 99' ' ' VAL . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.95 0 N-CA-C 111.035 -0.41 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.441 ' CD2' HG12 ' A' ' 79' ' ' ILE . 8.7 tp -120.77 -48.61 2.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.455 ' HB2' ' HB3' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -65.77 -16.63 63.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 110.323 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.481 ' CG2' ' HB2' ' A' ' 96' ' ' PRO . 81.8 t -73.75 -62.79 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -69.38 -6.78 32.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.273 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -83.16 -33.81 26.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.571 1.17 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.403 ' CG ' ' O ' ' A' ' 98' ' ' ARG . 1.7 m-20 -93.07 14.52 17.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.431 ' ND2' ' OE1' ' A' ' 105' ' ' GLN . 2.6 t30 -85.47 150.03 53.21 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -34.14 4.03 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.507 1.793 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.431 ' OE1' ' ND2' ' A' ' 103' ' ' ASN . 15.0 pt20 -71.35 -49.26 44.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.258 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.403 ' CD ' ' O ' ' A' ' 89' ' ' GLY . 7.0 mm100 -79.79 74.4 6.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.337 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -85.98 -16.66 37.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.227 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -69.37 -58.28 6.7 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.508 1.13 . . . . 0.0 111.049 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.867 HD11 HG21 ' A' ' 87' ' ' ILE . 0.5 OUTLIER -71.02 -18.53 62.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 0.739 . . . . 0.0 109.248 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 55.9 ttp180 -65.25 -56.32 13.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.304 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.418 ' HG3' ' N ' ' A' ' 112' ' ' GLU . 0.3 OUTLIER -69.01 -30.05 68.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.236 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.418 ' N ' ' HG3' ' A' ' 111' ' ' ARG . 27.6 tp10 -66.86 -42.61 85.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.261 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.655 ' HA ' HD22 ' A' ' 116' ' ' LEU . 2.4 t80 -64.11 -41.89 97.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -57.31 -40.52 78.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.289 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -76.63 -59.52 2.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 110.313 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.873 ' HG ' HD23 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -47.34 -33.69 6.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.568 1.167 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.999 ' CG ' HD13 ' A' ' 55' ' ' LEU . 84.6 t90 -66.54 -52.62 43.73 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.161 . . . . 0.0 108.023 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.764 HD21 HG22 ' A' ' 41' ' ' ILE . 87.0 mt -57.64 -26.11 61.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.112 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' A' ' 116' ' ' LEU . . . -62.93 -62.1 1.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.413 1.071 . . . . 0.0 109.254 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.664 ' HB3' HD23 ' A' ' 75' ' ' LEU . . . -59.42 -25.23 64.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.363 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.419 ' CZ ' ' CH2' ' A' ' 117' ' ' TRP . 0.2 OUTLIER -70.79 -38.49 73.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 0.0 110.97 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -94.66 0.15 54.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.113 . . . . 0.0 109.34 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.421 ' HB1' ' OE1' ' A' ' 74' ' ' GLN . . . -87.49 2.16 51.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.432 1.083 . . . . 0.0 109.302 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.465 HD13 HG13 ' A' ' 67' ' ' VAL . 20.7 mt -81.02 157.45 71.28 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.164 0 O-C-N 124.515 1.797 . . . . 0.0 111.032 179.981 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . 0.697 ' HG2' ' HB2' ' A' ' 134' ' ' ALA . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.905 0 N-CA-C 110.977 -0.432 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.27 -29.39 57.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.978 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.808 ' HA ' HD12 ' A' ' 136' ' ' ILE . 15.7 p-90 -73.21 -11.61 60.58 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.697 ' HB2' ' HG2' ' A' ' 131' ' ' PRO . . . -66.7 -10.26 44.86 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.6 p -130.76 26.22 5.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.004 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.808 HD12 ' HA ' ' A' ' 133' ' ' TRP . 84.6 mt -114.52 116.19 51.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.217 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.405 ' HA ' ' CZ ' ' A' ' 147' ' ' PHE . 0.0 OUTLIER -143.1 160.86 39.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.275 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . 0.453 ' HB2' ' CD2' ' A' ' 147' ' ' PHE . 2.7 tt0 -90.65 114.08 26.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.581 1.176 . . . . 0.0 110.282 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -71.46 168.0 51.48 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.436 HD21 ' HB2' ' A' ' 180' ' ' GLU . 2.0 tm? -63.38 -35.69 81.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 0.795 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -112.21 40.52 2.18 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.565 1.166 . . . . 0.0 110.242 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.96 152.26 66.28 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.14 . . . . 0.0 110.277 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . 0.413 ' HB2' ' HB3' ' A' ' 146' ' ' ALA . 18.2 Cg_endo -74.95 119.92 5.87 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.504 1.792 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' TYR . . . . . 0.977 ' O ' HG23 ' A' ' 148' ' ' VAL . 63.8 t80 -74.72 -54.83 6.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.577 1.173 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -47.99 -49.31 31.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.592 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.413 ' HB3' ' HB2' ' A' ' 143' ' ' PRO . . . -66.5 -44.36 82.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . 0.511 ' CE1' HG22 ' A' ' 136' ' ' ILE . 36.5 t80 -57.21 -43.75 83.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.977 HG23 ' O ' ' A' ' 144' ' ' TYR . 14.8 t -60.49 -51.42 73.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . 0.454 ' O ' HD12 ' A' ' 153' ' ' ILE . 0.6 OUTLIER -54.52 -54.25 43.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 110.312 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 37.2 ttt85 -59.0 -33.89 71.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.12 . . . . 0.0 110.368 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.463 ' HB3' ' CD1' ' A' ' 169' ' ' LEU . 0.9 OUTLIER -57.29 -47.75 80.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.257 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -58.35 -46.95 85.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . 0.454 HD12 ' O ' ' A' ' 149' ' ' GLU . 1.2 mp -60.85 -68.41 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.359 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . 0.404 ' N ' HG22 ' A' ' 153' ' ' ILE . . . -45.5 -28.93 1.01 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 0.461 HD21 ' CD1' ' A' ' 172' ' ' LEU . 4.2 mt -69.31 -60.01 2.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -52.78 -21.27 3.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.594 1.183 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.2 -22.92 61.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.578 1.174 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . 0.425 ' O ' HD22 ' A' ' 159' ' ' LEU . . . -141.52 38.39 1.52 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.746 HD12 ' HB2' ' A' ' 165' ' ' LYS . 0.5 OUTLIER -126.1 114.97 23.96 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.553 0.796 . . . . 0.0 109.349 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 166.06 30.01 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.524 1.802 . . . . 0.0 111.032 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -77.85 -6.95 55.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.317 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -112.99 34.55 5.03 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.481 1.113 . . . . 0.0 110.961 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' THR . . . . . 0.551 HG23 ' HD2' ' A' ' 164' ' ' PRO . 1.3 m -145.92 141.59 16.85 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.47 0.747 . . . . 0.0 110.442 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 164' ' ' PRO . . . . . 0.551 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.4 Cg_endo -74.96 131.83 14.79 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.397 1.735 . . . . 0.0 111.041 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 165' ' ' LYS . . . . . 0.746 ' HB2' HD12 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -116.1 -37.54 3.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.337 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . 0.496 ' N ' ' CD ' ' A' ' 167' ' ' PRO . 0.4 OUTLIER -40.54 -52.26 6.24 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 167' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 166' ' ' ASP . 18.1 Cg_endo -75.07 -49.27 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.517 1.798 . . . . 0.0 111.018 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -45.96 -47.56 5.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 169' ' ' LEU . . . . . 0.463 ' CD1' ' HB3' ' A' ' 151' ' ' LEU . 34.6 tp -59.98 -53.27 59.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.41 1.069 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . 0.415 ' HD2' ' N ' ' A' ' 195' ' ' LEU . 1.1 tpp180 -54.45 -19.66 6.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.3 -56.5 3.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.135 . . . . 0.0 110.0 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.547 HD21 ' CE3' ' A' ' 133' ' ' TRP . 1.4 mt -64.13 -15.01 58.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.258 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -88.68 -30.6 19.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.223 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 174' ' ' TYR . . . . . 0.446 ' O ' ' N ' ' A' ' 176' ' ' ASN . 29.8 t80 -110.47 -78.39 0.59 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 110.984 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 174' ' ' TYR . 22.9 t -37.05 -32.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.03 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 176' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 174' ' ' TYR . 13.9 m-20 -110.74 57.74 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 177' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 174' ' ' TYR . . . -134.01 142.11 47.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 178' ' ' ASN . . . . . 0.619 ' ND2' ' H ' ' A' ' 181' ' ' CYS . 7.7 p-10 -52.28 -175.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.359 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 33.6 mtmt -78.44 -49.9 12.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.341 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . 0.436 ' HB2' HD21 ' A' ' 140' ' ' LEU . 25.2 tt0 -54.05 -36.34 62.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.31 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 181' ' ' CYS . . . . . 0.619 ' H ' ' ND2' ' A' ' 178' ' ' ASN . 19.1 t -69.94 -67.41 0.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 108.267 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -46.15 -43.35 14.98 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.553 1.158 . . . . 0.0 110.289 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 183' ' ' LYS . . . . . 0.561 ' O ' ' HB2' ' A' ' 187' ' ' ALA . 29.3 ttpt -62.44 -34.52 76.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.672 HD23 ' O ' ' A' ' 184' ' ' LEU . 3.1 tt -66.48 -46.83 74.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 185' ' ' LEU . . . . . 0.461 HD11 ' HE2' ' A' ' 198' ' ' MET . 9.8 mt -61.3 -65.6 0.67 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.487 1.117 . . . . 0.0 109.232 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 186' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.13 -40.48 32.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.4 1.063 . . . . 0.0 110.288 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 187' ' ' ALA . . . . . 0.561 ' HB2' ' O ' ' A' ' 183' ' ' LYS . . . -58.75 -37.43 76.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 188' ' ' ARG . . . . . 0.426 ' HD2' ' HB1' ' A' ' 201' ' ' ALA . 0.5 OUTLIER -75.31 -3.67 34.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.319 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 60.58 39.84 97.04 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.557 1.161 . . . . 0.0 111.034 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 190' ' ' HIS . . . . . 0.621 ' CG ' ' O ' ' A' ' 190' ' ' HIS . 0.1 OUTLIER -150.04 102.58 3.12 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.549 0.793 . . . . 0.0 109.591 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 1.8 p -121.09 -54.86 2.0 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 110.439 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 192' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 193' ' ' SER . 5.1 t-20 -61.37 -22.3 64.82 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.475 1.11 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 193' ' ' SER . . . . . 0.495 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER -49.27 178.21 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.972 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . 0.495 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.2 Cg_endo -75.0 -167.73 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.441 1.759 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 195' ' ' LEU . . . . . 0.51 HD21 ' CG1' ' A' ' 148' ' ' VAL . 9.9 tp -85.04 -50.59 7.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.428 1.08 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -44.83 -34.96 4.16 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.452 1.095 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 197' ' ' ASP . . . . . 0.503 ' HB3' ' CE1' ' A' ' 190' ' ' HIS . 0.2 OUTLIER -69.16 -39.74 78.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.746 . . . . 0.0 109.325 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 198' ' ' MET . . . . . 0.509 ' SD ' HD12 ' A' ' 195' ' ' LEU . 72.5 mtp -66.23 -35.22 79.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 199' ' ' LEU . . . . . 0.753 HD21 HG11 ' A' ' 148' ' ' VAL . 4.0 mm? -74.11 -20.49 60.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.0 -17.26 33.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 201' ' ' ALA . . . . . 0.426 ' HB1' ' HD2' ' A' ' 188' ' ' ARG . . . -90.85 -34.59 15.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.163 . . . . 0.0 109.209 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 202' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 203' ' ' GLN . 0.0 OUTLIER -87.81 -19.09 27.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 108.266 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 203' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 202' ' ' CYS . 9.9 pt20 -37.41 -39.47 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.277 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 5.9 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.405 -179.963 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.554 ' HE1' HD21 ' A' ' 20' ' ' LEU . 1.6 ttt . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.555 0.217 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.8 pm0 -80.08 154.97 27.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 110.32 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.5 tpt -45.41 -34.21 2.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.5 ttpt -59.3 -43.1 92.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -55.97 -56.57 19.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.554 HD21 ' HE1' ' A' ' 15' ' ' MET . 37.4 mt -55.09 -41.93 72.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.262 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -58.0 -57.06 14.47 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.507 1.13 . . . . 0.0 110.287 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.67 -47.88 76.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.579 ' O ' HG23 ' A' ' 27' ' ' VAL . 68.3 mt -52.14 -49.95 37.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.485 ' HG3' ' CE2' ' A' ' 61' ' ' TYR . 0.0 OUTLIER -50.21 -34.91 24.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -70.71 -72.12 0.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.162 . . . . 0.0 110.222 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.926 ' OE1' HG23 ' A' ' 40' ' ' THR . 8.4 pt-20 -44.23 -26.84 0.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 23' ' ' ILE . 34.9 t -75.55 -49.71 26.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.3 m -44.55 -41.86 6.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 110.017 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -60.04 -37.31 79.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 110.315 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' A' ' 27' ' ' VAL . . . -44.91 166.76 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.23 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.665 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -109.33 170.0 5.85 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.665 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.4 Cg_endo -74.97 115.79 4.39 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.505 1.792 . . . . 0.0 111.019 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.65 59.12 11.37 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.496 1.122 . . . . 0.0 110.979 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -139.56 158.95 67.34 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.497 0.763 . . . . 0.0 110.008 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 48.57 2.06 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.528 1.804 . . . . 0.0 110.94 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.7 tp60 -121.85 -52.49 2.0 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.451 ' CE1' HD11 ' A' ' 41' ' ' ILE . 1.7 t80 -60.62 -60.63 3.49 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.652 ' HE1' HD22 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -51.77 -49.1 63.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 110.974 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -49.4 -46.39 47.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.274 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.926 HG23 ' OE1' ' A' ' 26' ' ' GLU . 3.6 m -57.72 -31.19 66.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.422 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.835 HG22 HD21 ' A' ' 118' ' ' LEU . 15.5 mm -64.66 -53.06 46.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -29.68 69.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.595 1.184 . . . . 0.0 110.331 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.528 HD13 ' O ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -66.54 -43.24 85.68 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.09 -29.82 64.49 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.491 HG22 ' HD2' ' A' ' 50' ' ' PRO . 1.2 t -71.72 -42.54 70.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -78.33 -9.29 59.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 110.29 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.443 ' CA ' ' OE1' ' A' ' 47' ' ' GLN . 0.1 OUTLIER -80.64 -70.35 0.53 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 110.364 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.433 ' O ' ' CB ' ' A' ' 49' ' ' ASP . 14.2 p90 -114.18 -30.61 6.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 111.043 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.433 ' CB ' ' O ' ' A' ' 48' ' ' PHE . 2.4 m-20 77.56 94.54 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.491 ' HD2' HG22 ' A' ' 45' ' ' VAL . 18.4 Cg_endo -74.89 133.35 16.66 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.537 1.809 . . . . 0.0 111.064 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.1 p -66.47 -174.94 0.32 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.539 1.149 . . . . 0.0 110.483 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.33 -41.64 97.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.414 ' HD2' ' ND2' ' A' ' 102' ' ' ASN . 9.6 mttt -63.08 -62.64 1.57 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -46.85 -40.49 14.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.233 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 1.086 HD13 ' CG ' ' A' ' 117' ' ' TRP . 12.2 mt -61.43 -41.76 97.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.365 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.05 -54.57 33.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.264 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -64.73 -47.02 79.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.336 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.551 HD22 ' HE1' ' A' ' 15' ' ' MET . 17.8 tp -51.86 -31.68 28.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.679 HD12 ' CB ' ' A' ' 63' ' ' CYS . 33.4 tp -67.03 -58.12 5.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.65 -10.34 26.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.598 1.186 . . . . 0.0 110.372 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.485 ' CE2' ' HG3' ' A' ' 24' ' ' LYS . 1.4 t80 -78.13 -55.22 5.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.085 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 19.7 mt -106.36 -62.2 1.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.679 ' CB ' HD12 ' A' ' 59' ' ' LEU . 1.4 m -46.26 112.12 0.45 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.429 1.081 . . . . 0.0 108.295 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.52 -179.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.048 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.43 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 7.1 t -59.57 -63.62 1.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.029 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.415 ' HG ' HD12 ' A' ' 70' ' ' LEU . 24.0 tp -56.78 -55.19 37.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.3 t -46.4 -46.16 6.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 65' ' ' SER . . . -53.46 -46.7 70.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.4 t -60.23 -60.79 3.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 110.025 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.451 ' O ' ' NE2' ' A' ' 74' ' ' GLN . 2.6 mt -46.82 -44.98 19.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.163 . . . . 0.0 109.343 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.463 ' CE1' ' HB3' ' A' ' 120' ' ' ALA . 5.8 t-80 -62.25 -48.53 79.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.577 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.87 -40.13 75.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.651 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.22 -62.11 2.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 110.34 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 70' ' ' LEU . 1.6 mp0 -55.25 -19.06 7.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.851 HD13 ' CD1' ' A' ' 79' ' ' ILE . 0.3 OUTLIER -77.09 -57.15 4.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -48.4 -45.9 36.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.7 t -67.13 -34.54 77.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.007 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.778 HD23 ' HG ' ' A' ' 116' ' ' LEU . 1.2 tp -58.09 -60.62 3.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.171 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.851 ' CD1' HD13 ' A' ' 75' ' ' LEU . 2.8 mp -48.05 -47.98 12.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.451 ' O ' ' CB ' ' A' ' 84' ' ' THR . 29.5 t -50.01 -30.54 10.84 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.549 1.156 . . . . 0.0 109.987 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -71.91 -48.71 43.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.53 ' HB1' ' CG1' ' A' ' 87' ' ' ILE . . . -57.78 -60.52 3.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.401 ' CG ' ' HA ' ' A' ' 80' ' ' SER . 0.0 OUTLIER -53.58 -43.0 68.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 110.301 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.451 ' CB ' ' O ' ' A' ' 80' ' ' SER . 2.1 m -57.76 -46.45 84.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.446 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.03 -0.97 20.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.36 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 62.38 75.58 0.31 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.426 1.078 . . . . 0.0 110.981 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.624 HD13 HD21 ' A' ' 109' ' ' LEU . 19.0 mt -40.95 155.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.531 0.783 . . . . 0.0 109.324 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.775 HG23 ' H ' ' A' ' 89' ' ' GLY . 0.0 OUTLIER -37.71 -70.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.4 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.775 ' H ' HG23 ' A' ' 88' ' ' THR . . . -140.52 60.97 0.56 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.467 1.104 . . . . 0.0 111.041 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.453 ' CB ' ' HB ' ' A' ' 87' ' ' ILE . 2.3 t80 -79.27 137.69 37.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 0.78 . . . . 0.0 111.01 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -86.47 125.1 68.58 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 0.0 109.24 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.447 1.762 . . . . 0.0 111.016 179.954 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.878 0 N-CA-C 110.984 -0.429 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.811 HD22 ' CG1' ' A' ' 79' ' ' ILE . 6.4 tp -50.89 -36.98 40.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.445 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 10.9 ptt85 -58.61 -33.72 70.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.6 t -79.61 -32.51 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.73 -54.78 9.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 110.287 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.647 ' HB2' ' CD2' ' A' ' 113' ' ' TYR . . . -49.17 -43.31 41.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 98' ' ' ARG . 90.5 m-20 -51.27 -25.57 5.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -79.68 131.7 63.57 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -23.74 13.48 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.461 1.769 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -59.61 -28.5 67.24 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.55 1.156 . . . . 0.0 110.339 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.418 HE21 HD12 ' A' ' 109' ' ' LEU . 17.9 mm100 -96.29 50.99 1.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.71 -45.9 49.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.28 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -56.23 -55.74 27.85 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.624 HD21 HD13 ' A' ' 87' ' ' ILE . 0.6 OUTLIER -63.61 -41.95 98.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 0.788 . . . . 0.0 109.329 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 11.8 ttt-85 -50.1 -36.69 30.56 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.11 . . . . 0.0 110.299 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.44 -53.68 10.1 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.518 1.136 . . . . 0.0 110.311 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -53.07 -36.32 60.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.168 . . . . 0.0 110.271 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.647 ' CD2' ' HB2' ' A' ' 101' ' ' ALA . 4.5 t80 -65.8 -46.09 79.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.988 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -53.41 -49.47 67.21 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.46 1.1 . . . . 0.0 110.3 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.07 -30.95 67.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.34 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.778 ' HG ' HD23 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -65.2 -39.84 93.38 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.443 1.089 . . . . 0.0 109.307 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 1.086 ' CG ' HD13 ' A' ' 55' ' ' LEU . 47.7 t90 -63.5 -63.52 1.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 108.004 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.835 HD21 HG22 ' A' ' 41' ' ' ILE . 80.4 mt -50.93 -27.23 7.13 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.624 ' HB3' HD21 ' A' ' 78' ' ' LEU . . . -64.45 -62.63 1.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.41 1.068 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.463 ' HB3' ' CE1' ' A' ' 71' ' ' HIS . . . -57.74 -26.36 61.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.515 ' CZ ' ' SG ' ' A' ' 63' ' ' CYS . 0.8 OUTLIER -71.88 -51.02 24.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -74.89 -2.59 27.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.344 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -83.93 -3.0 57.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 64.1 mt -73.06 157.73 88.08 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.584 1.177 . . . . 0.0 109.328 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.197 0 O-C-N 124.508 1.794 . . . . 0.0 111.039 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . 0.606 ' HG2' ' HB2' ' A' ' 134' ' ' ALA . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.904 0 N-CA-C 110.997 -0.424 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.3 -34.2 65.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.983 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.769 ' HA ' HD12 ' A' ' 136' ' ' ILE . 21.9 p-90 -72.41 -13.66 61.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 108.062 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.606 ' HB2' ' HG2' ' A' ' 131' ' ' PRO . . . -63.17 -12.89 31.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.443 1.089 . . . . 0.0 109.279 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 29.2 t -134.82 36.87 3.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.98 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.769 HD12 ' HA ' ' A' ' 133' ' ' TRP . 54.5 mt -117.02 118.03 57.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.352 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.578 ' O ' ' CE1' ' A' ' 147' ' ' PHE . 0.2 OUTLIER -136.97 151.36 48.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.573 1.17 . . . . 0.0 109.277 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . 0.561 ' HG3' ' CD2' ' A' ' 144' ' ' TYR . 0.0 OUTLIER -65.76 117.45 8.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.174 . . . . 0.0 110.295 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . 0.428 ' O ' ' NE2' ' A' ' 138' ' ' GLN . . . -71.21 149.8 46.29 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.538 1.149 . . . . 0.0 111.042 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.49 ' N ' ' ND2' ' A' ' 178' ' ' ASN . 1.7 tm? -61.53 -40.6 95.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.551 0.794 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -111.2 39.78 2.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -125.5 159.52 60.05 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 110.268 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . 0.58 ' HB2' ' HB3' ' A' ' 146' ' ' ALA . 18.5 Cg_endo -74.96 105.12 2.02 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.483 1.781 . . . . 0.0 111.045 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' TYR . . . . . 0.576 ' O ' HG23 ' A' ' 148' ' ' VAL . 5.0 t80 -55.74 -58.67 6.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' HIS . . . . . 0.498 ' C ' ' CD2' ' A' ' 145' ' ' HIS . 0.2 OUTLIER -49.05 -51.44 31.21 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.498 1.124 . . . . 0.0 109.681 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.58 ' HB3' ' HB2' ' A' ' 143' ' ' PRO . . . -58.09 -39.78 79.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . 0.578 ' CE1' ' O ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -62.75 -43.61 98.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.613 1.195 . . . . 0.0 110.947 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.706 HG11 HD21 ' A' ' 199' ' ' LEU . 46.3 t -60.29 -51.06 77.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . 0.584 ' O ' HD12 ' A' ' 153' ' ' ILE . 25.4 tt0 -53.2 -54.39 36.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 110.258 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 7.8 ttt-85 -59.34 -41.13 88.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 110.34 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.775 ' O ' HD12 ' A' ' 155' ' ' LEU . 1.0 OUTLIER -50.89 -38.23 48.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -67.69 -45.82 74.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . 0.584 HD12 ' O ' ' A' ' 149' ' ' GLU . 1.5 mp -62.83 -69.63 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.334 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -41.94 -28.97 0.19 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.52 1.138 . . . . 0.0 109.341 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 0.775 HD12 ' O ' ' A' ' 151' ' ' LEU . 6.9 mt -73.68 -59.23 2.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -46.11 -24.79 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . 0.417 ' N ' ' C ' ' A' ' 155' ' ' LEU . 3.1 m-80 -78.12 -42.77 30.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 155' ' ' LEU . . . -125.85 50.33 0.88 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.512 1.132 . . . . 0.0 111.013 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.738 HD21 HD13 ' A' ' 168' ' ' ILE . 0.2 OUTLIER -156.52 101.94 2.02 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.452 0.736 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 157.88 42.6 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.417 1.746 . . . . 0.0 110.956 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 163' ' ' THR . 0.0 OUTLIER -60.5 -53.94 51.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.34 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 161' ' ' GLU . . . -37.64 -30.41 0.06 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.433 1.083 . . . . 0.0 110.916 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' THR . . . . . 0.704 HG23 ' HD2' ' A' ' 164' ' ' PRO . 2.0 m -96.31 145.27 29.27 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.77 . . . . 0.0 110.41 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 164' ' ' PRO . . . . . 0.704 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.1 Cg_endo -75.03 130.95 13.71 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.522 1.801 . . . . 0.0 110.928 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 1.2 tmpt? -111.03 -29.91 7.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . 0.513 ' N ' ' CD ' ' A' ' 167' ' ' PRO . 0.3 OUTLIER -47.26 -52.09 37.76 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 167' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 166' ' ' ASP . 18.4 Cg_endo -74.99 -48.02 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.491 1.785 . . . . 0.0 110.987 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 168' ' ' ILE . . . . . 0.738 HD13 HD21 ' A' ' 159' ' ' LEU . 0.3 OUTLIER -51.12 -41.84 24.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 169' ' ' LEU . . . . . 0.484 ' CD1' ' HB3' ' A' ' 151' ' ' LEU . 13.6 tp -64.3 -55.3 22.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 109.348 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 77.6 mtm-85 -59.1 -15.35 13.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.591 1.182 . . . . 0.0 110.252 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.63 -48.66 8.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 110.01 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.606 HD12 HD11 ' A' ' 155' ' ' LEU . 5.0 mt -68.72 -16.51 63.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 173' ' ' ALA . . . . . 0.698 ' O ' ' HB2' ' A' ' 177' ' ' ALA . . . -86.08 -50.21 7.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 174' ' ' TYR . . . . . 0.531 ' CE1' ' HG2' ' A' ' 182' ' ' GLN . 6.1 t80 -96.02 -69.54 0.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 1.2 t -38.91 -38.04 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.421 1.076 . . . . 0.0 110.096 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 176' ' ' ASN . . . . . 0.524 ' CB ' HD23 ' A' ' 137' ' ' LEU . 2.3 m-80 -110.4 54.83 0.66 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.505 1.128 . . . . 0.0 109.25 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 177' ' ' ALA . . . . . 0.698 ' HB2' ' O ' ' A' ' 173' ' ' ALA . . . -120.3 148.32 43.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.218 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 178' ' ' ASN . . . . . 0.49 ' ND2' ' N ' ' A' ' 140' ' ' LEU . 0.9 OUTLIER -54.31 -171.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -75.62 -57.27 3.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -62.2 -14.98 43.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.269 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 181' ' ' CYS . . . . . 0.455 ' CB ' ' HB1' ' A' ' 177' ' ' ALA . 64.0 m -78.92 -61.1 2.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 108.342 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . 0.531 ' HG2' ' CE1' ' A' ' 174' ' ' TYR . 54.6 mt-30 -54.19 -37.21 64.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.295 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -31.16 70.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.644 HD23 ' O ' ' A' ' 184' ' ' LEU . 2.0 tt -67.41 -52.43 39.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 185' ' ' LEU . . . . . 0.639 HD11 ' CE ' ' A' ' 198' ' ' MET . 12.7 mt -59.43 -50.78 72.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 186' ' ' GLN . . . . . 0.418 ' NE2' ' O ' ' A' ' 182' ' ' GLN . 0.4 OUTLIER -56.71 -53.07 61.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.319 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -51.88 -39.82 59.62 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.452 1.095 . . . . 0.0 109.225 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.55 -14.09 60.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 68.91 16.59 70.59 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.523 1.139 . . . . 0.0 111.032 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 190' ' ' HIS . . . . . 0.573 ' CG ' ' O ' ' A' ' 190' ' ' HIS . 0.1 OUTLIER -126.53 106.41 9.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 0.758 . . . . 0.0 109.564 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 1.4 p -121.35 -51.26 2.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.351 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -88.36 49.16 1.74 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.265 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 193' ' ' SER . . . . . 0.516 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER -117.78 179.02 0.89 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.581 1.175 . . . . 0.0 109.981 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . 0.516 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.3 Cg_endo -74.99 164.62 33.02 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.522 1.801 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 195' ' ' LEU . . . . . 0.474 ' HG ' ' CD2' ' A' ' 199' ' ' LEU . 7.3 tp -60.43 -42.69 96.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.226 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -45.03 -44.23 8.99 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.522 1.139 . . . . 0.0 111.063 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 197' ' ' ASP . . . . . 0.536 ' HB3' ' CE1' ' A' ' 190' ' ' HIS . 0.1 OUTLIER -71.8 -31.2 66.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 0.0 109.317 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 198' ' ' MET . . . . . 0.639 ' CE ' HD11 ' A' ' 185' ' ' LEU . 36.4 mmm -68.42 -35.9 78.31 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 110.972 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 199' ' ' LEU . . . . . 0.706 HD21 HG11 ' A' ' 148' ' ' VAL . 3.8 mm? -78.37 -19.11 54.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.32 -20.12 32.58 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.453 1.096 . . . . 0.0 110.257 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -85.63 -45.52 11.64 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.567 1.167 . . . . 0.0 109.282 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 202' ' ' CYS . . . . . . . . . . . . . 16.9 p -75.85 -18.98 59.24 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.524 1.14 . . . . 0.0 108.316 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 203' ' ' GLN . . . . . 0.433 ' CG ' ' N ' ' A' ' 204' ' ' THR . 14.4 pt20 -39.42 -42.79 1.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.31 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 204' ' ' THR . . . . . 0.433 ' N ' ' CG ' ' A' ' 203' ' ' GLN . 3.2 t . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.417 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.566 ' HG2' ' CZ ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.453 0.168 . . . . 0.0 111.034 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.6 pm0 -79.92 155.24 27.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.257 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.76 -27.38 1.98 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 111.004 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -40.28 94.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -56.26 -55.87 27.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.148 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.823 ' HA ' HD12 ' A' ' 23' ' ' ILE . 4.3 mt -57.37 -39.37 75.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.399 1.062 . . . . 0.0 109.288 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.62 -48.39 79.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.332 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.62 -43.0 99.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.566 1.166 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.823 HD12 ' HA ' ' A' ' 20' ' ' LEU . 18.3 mt -57.41 -40.62 75.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.267 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -32.22 71.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.571 1.17 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.7 tm0? -71.22 -59.46 2.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 110.31 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.628 ' CD ' HG23 ' A' ' 40' ' ' THR . 4.1 pt-20 -60.6 -14.6 21.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 110.255 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.61 HG13 ' HD2' ' A' ' 37' ' ' PHE . 20.0 t -91.4 -26.99 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.247 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.5 t -70.8 -29.32 65.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.09 . . . . 0.0 109.969 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.33 -22.76 51.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 110.333 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.472 ' CB ' ' HB3' ' A' ' 36' ' ' GLN . . . -61.73 167.48 3.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.414 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -113.13 161.89 24.66 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.259 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.414 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.5 Cg_endo -74.93 112.07 3.47 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.467 1.772 . . . . 0.0 111.045 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.7 40.31 15.33 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.8 p -129.53 152.52 79.8 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.771 . . . . 0.0 109.982 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 51.31 2.72 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.49 1.784 . . . . 0.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.472 ' HB3' ' CB ' ' A' ' 30' ' ' ALA . 3.6 tp60 -121.16 -58.06 1.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 110.286 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.61 ' HD2' HG13 ' A' ' 27' ' ' VAL . 1.4 t80 -57.0 -54.34 47.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.414 1.071 . . . . 0.0 110.953 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.464 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 10.4 tpt -57.72 -54.15 50.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -46.86 -41.07 15.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.289 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.628 HG23 ' CD ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -60.64 -37.21 80.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 110.395 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.795 HG22 HD21 ' A' ' 118' ' ' LEU . 7.2 mm -60.83 -44.17 97.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -64.75 -31.78 73.16 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.46 1.1 . . . . 0.0 110.285 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.402 ' O ' HD13 ' A' ' 43' ' ' LEU . 0.4 OUTLIER -63.85 -41.11 97.88 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.486 1.116 . . . . 0.0 109.248 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.1 -42.83 65.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.342 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.506 HG11 HD11 ' A' ' 118' ' ' LEU . 0.9 OUTLIER -67.23 -18.35 23.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -102.61 -5.61 23.68 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 0.0 110.34 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -86.24 -70.43 0.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.566 ' CZ ' ' HG2' ' A' ' 15' ' ' MET . 0.3 OUTLIER -121.95 -4.78 9.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.998 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.7 t0 56.68 96.49 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.117 . . . . 0.0 109.24 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 128.78 11.77 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.459 1.768 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.9 p -56.96 -171.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.457 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.37 -51.97 25.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.585 1.178 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.454 ' CD ' ' OD1' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -50.48 -45.88 56.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.454 ' OD1' ' CD ' ' A' ' 53' ' ' LYS . 2.1 m-20 -58.21 -51.04 71.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.965 HD13 ' CG ' ' A' ' 117' ' ' TRP . 22.1 mt -53.14 -45.96 68.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -48.82 -48.19 41.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.238 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.4 ' C ' ' N ' ' A' ' 59' ' ' LEU . 5.1 t70 -70.62 -51.29 29.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.513 HD11 HD12 ' A' ' 62' ' ' LEU . 22.1 tp -50.19 -23.0 1.93 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.437 1.086 . . . . 0.0 109.275 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.4 ' N ' ' C ' ' A' ' 57' ' ' ASP . 53.9 tp -78.1 -51.71 9.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.613 1.195 . . . . 0.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -89.77 23.47 2.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.366 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.575 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 48.3 t80 -120.68 -41.53 2.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 110.969 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.515 ' HA ' HD23 ' A' ' 62' ' ' LEU . 3.5 mt -91.75 -51.78 5.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 95.8 m -93.01 -173.37 3.26 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.422 1.076 . . . . 0.0 108.334 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.85 179.27 4.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.973 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.512 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 31.3 t -60.37 -52.4 65.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 110.048 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 17.8 tp -44.55 -64.8 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.6 t -50.5 -45.07 25.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.239 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.512 ' HB3' ' O ' ' A' ' 65' ' ' SER . . . -52.43 -38.77 59.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.369 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.2 m -75.7 -45.26 37.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 110.05 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.413 ' O ' ' CB ' ' A' ' 73' ' ' GLN . 14.5 mt -53.67 -57.61 10.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.416 1.073 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.663 ' CE1' ' HB3' ' A' ' 120' ' ' ALA . 0.4 OUTLIER -52.15 -45.92 65.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.591 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -58.38 -17.17 18.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.577 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.413 ' CB ' ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -77.3 -67.22 0.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.467 ' OE1' ' CB ' ' A' ' 123' ' ' ALA . 0.3 OUTLIER -61.89 -27.86 69.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.423 1.077 . . . . 0.0 110.304 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.6 HD21 ' CD2' ' A' ' 116' ' ' LEU . 1.7 tm? -73.92 -53.14 10.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.387 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -45.32 -46.96 13.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.354 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.7 t -60.64 -43.0 98.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.989 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.905 HD23 ' HG ' ' A' ' 116' ' ' LEU . 13.3 tp -58.55 -39.71 81.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.915 HD12 ' CD2' ' A' ' 97' ' ' LEU . 50.6 mm -55.16 -55.26 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.75 -27.45 12.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.585 1.178 . . . . 0.0 109.995 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -66.79 -42.03 86.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.3 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.521 ' HB1' ' CG1' ' A' ' 87' ' ' ILE . . . -63.73 -55.73 21.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.546 ' HG2' ' CE2' ' A' ' 90' ' ' TYR . 6.3 mt-10 -58.8 -41.63 87.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.344 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.8 m -62.19 -45.63 92.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 110.391 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.5 -1.84 23.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.1 . . . . 0.0 110.316 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 64.6 84.37 0.08 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.483 1.114 . . . . 0.0 110.978 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.521 ' CG1' ' HB1' ' A' ' 82' ' ' ALA . 12.5 mt -51.28 166.34 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.533 0.784 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.504 ' N ' HG22 ' A' ' 87' ' ' ILE . 10.2 t -86.08 -49.46 7.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 0.0 110.388 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.44 ' N ' HG23 ' A' ' 88' ' ' THR . . . -119.82 66.48 0.41 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.564 1.165 . . . . 0.0 110.964 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.552 ' CD1' ' OE1' ' A' ' 100' ' ' GLN . 83.6 t80 -128.8 141.2 51.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.423 0.719 . . . . 0.0 110.951 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.414 ' O ' ' NE2' ' A' ' 100' ' ' GLN . 0.5 OUTLIER -112.95 99.3 48.14 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.208 0 O-C-N 124.517 1.798 . . . . 0.0 111.002 -179.999 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.833 0 N-CA-C 111.034 -0.41 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.915 ' CD2' HD12 ' A' ' 79' ' ' ILE . 18.4 tp -120.01 -47.09 2.4 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.41 -32.78 68.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.328 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 82.1 t -60.36 -39.78 81.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.441 1.088 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.552 ' OE1' ' CD1' ' A' ' 90' ' ' TYR . 41.6 mt-30 -72.59 -36.41 68.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.52 -16.91 58.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -71.1 -25.64 62.69 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.411 ' ND2' ' HA ' ' A' ' 100' ' ' GLN . 11.7 p30 -103.61 134.42 19.75 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.4 ' C ' ' N ' ' A' ' 106' ' ' GLN . 18.2 Cg_endo -75.1 -14.94 20.78 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.579 1.831 . . . . 0.0 110.968 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -41.66 -30.08 0.21 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.464 1.103 . . . . 0.0 110.234 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.4 ' N ' ' C ' ' A' ' 104' ' ' PRO . 1.8 pt20 -123.25 66.33 0.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.334 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.43 -20.55 2.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.249 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -58.52 -50.05 70.8 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.522 1.139 . . . . 0.0 111.022 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.789 HD23 ' CG ' ' A' ' 112' ' ' GLU . 1.3 mt -77.16 -41.4 41.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 0.739 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.7 ttm-85 -46.33 -43.24 15.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.584 1.178 . . . . 0.0 110.368 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 114' ' ' GLN . 0.0 OUTLIER -76.14 -63.08 1.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.357 179.899 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.789 ' CG ' HD23 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -42.5 -26.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.084 . . . . 0.0 110.296 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.415 ' N ' ' C ' ' A' ' 111' ' ' ARG . 22.5 t80 -79.2 -43.27 24.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.505 ' HG3' ' N ' ' A' ' 115' ' ' GLN . 0.0 OUTLIER -56.29 -26.93 53.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.244 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.505 ' N ' ' HG3' ' A' ' 114' ' ' GLN . 0.2 OUTLIER -88.11 -43.75 11.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.41 1.069 . . . . 0.0 110.267 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.905 ' HG ' HD23 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -60.43 -35.05 74.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.965 ' CG ' HD13 ' A' ' 55' ' ' LEU . 81.1 t90 -71.67 -55.78 7.06 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.795 HD21 HG22 ' A' ' 41' ' ' ILE . 85.0 mt -54.31 -22.19 11.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 116' ' ' LEU . . . -70.31 -52.0 26.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.663 ' HB3' ' CE1' ' A' ' 71' ' ' HIS . . . -63.9 -33.96 76.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.251 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.612 ' CE1' ' CH2' ' A' ' 117' ' ' TRP . 0.8 OUTLIER -65.97 -31.84 72.98 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.534 1.146 . . . . 0.0 110.954 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -96.53 0.26 49.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.467 ' CB ' ' OE1' ' A' ' 74' ' ' GLN . . . -91.01 0.61 57.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 109.353 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 56.5 mt -75.06 155.39 86.44 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.236 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.174 0 O-C-N 124.43 1.752 . . . . 0.0 111.061 179.969 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . 0.813 ' HG2' ' HB2' ' A' ' 134' ' ' ALA . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.845 0 N-CA-C 110.922 -0.453 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 20.0 m -73.1 -36.8 66.84 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.452 1.095 . . . . 0.0 110.011 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.82 ' HA ' HD12 ' A' ' 136' ' ' ILE . 15.8 p-90 -70.32 -17.42 63.07 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.813 ' HB2' ' HG2' ' A' ' 131' ' ' PRO . . . -65.09 -11.0 34.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 97.2 p -123.06 21.4 9.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.055 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.82 HD12 ' HA ' ' A' ' 133' ' ' TRP . 28.0 mt -115.0 117.87 57.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.472 ' CB ' ' HB3' ' A' ' 176' ' ' ASN . 0.2 OUTLIER -137.59 162.08 34.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . 0.465 ' NE2' ' O ' ' A' ' 139' ' ' GLY . 0.2 OUTLIER -85.46 119.21 25.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.375 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . 0.465 ' O ' ' NE2' ' A' ' 138' ' ' GLN . . . -76.02 143.16 29.49 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.48 HD22 ' HA ' ' A' ' 140' ' ' LEU . 1.4 tm? -50.42 -39.67 48.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 0.761 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -111.7 40.41 2.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.427 1.08 . . . . 0.0 110.31 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.407 ' HB2' ' CA ' ' A' ' 139' ' ' GLY . 0.4 OUTLIER -120.89 170.46 7.24 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.288 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . 0.828 ' HB2' ' HB3' ' A' ' 146' ' ' ALA . 18.3 Cg_endo -74.95 127.74 10.96 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.476 1.777 . . . . 0.0 110.991 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' TYR . . . . . 0.81 ' O ' HG23 ' A' ' 148' ' ' VAL . 2.4 t80 -76.48 -57.47 3.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 111.026 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' HIS . . . . . 0.439 ' CD2' ' C ' ' A' ' 145' ' ' HIS . 0.5 OUTLIER -59.13 -57.85 11.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.632 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.828 ' HB3' ' HB2' ' A' ' 143' ' ' PRO . . . -47.86 -46.64 31.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . 0.743 ' CZ ' HD12 ' A' ' 151' ' ' LEU . 3.2 t80 -56.48 -43.14 79.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 111.079 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 144' ' ' TYR . 48.7 t -63.34 -58.17 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -46.79 -43.95 18.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 153' ' ' ILE . 95.5 mtt180 -67.64 -58.59 4.4 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.537 1.148 . . . . 0.0 110.326 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.804 ' O ' HD12 ' A' ' 155' ' ' LEU . 0.4 OUTLIER -40.65 -34.68 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -71.29 -51.71 22.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . 0.427 ' N ' ' O ' ' A' ' 150' ' ' ARG . 11.5 mt -59.2 -64.49 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.499 1.125 . . . . 0.0 109.327 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -45.69 -29.18 1.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 0.804 HD12 ' O ' ' A' ' 151' ' ' LEU . 3.5 mt -72.53 -59.7 2.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -51.39 -21.43 2.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -74.05 -28.33 61.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.103 . . . . 0.0 109.34 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . 0.541 ' O ' HD22 ' A' ' 159' ' ' LEU . . . -132.06 39.98 1.68 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.571 1.169 . . . . 0.0 110.991 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.541 HD22 ' O ' ' A' ' 158' ' ' GLY . 0.7 OUTLIER -131.76 119.26 17.01 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.467 0.745 . . . . 0.0 109.272 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -168.86 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.526 1.803 . . . . 0.0 111.046 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -102.0 -7.98 21.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.296 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -109.15 32.42 6.88 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.408 1.068 . . . . 0.0 111.004 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' THR . . . . . 0.645 HG23 ' HD2' ' A' ' 164' ' ' PRO . 1.7 m -146.08 143.53 19.58 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.51 0.771 . . . . 0.0 110.445 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 164' ' ' PRO . . . . . 0.645 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.2 Cg_endo -75.0 135.28 18.87 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.465 1.771 . . . . 0.0 111.006 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 165' ' ' LYS . . . . . 0.79 ' HZ1' HD22 ' A' ' 169' ' ' LEU . 0.0 OUTLIER -119.78 -40.2 2.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.348 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . 0.528 ' CB ' ' HD3' ' A' ' 167' ' ' PRO . 0.2 OUTLIER -39.5 -53.92 4.03 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 167' ' ' PRO . . . . . 0.528 ' HD3' ' CB ' ' A' ' 166' ' ' ASP . 18.4 Cg_endo -75.02 -49.55 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.43 1.753 . . . . 0.0 111.036 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -46.05 -38.36 3.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.267 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 169' ' ' LEU . . . . . 0.79 HD22 ' HZ1' ' A' ' 165' ' ' LYS . 14.0 tp -64.65 -63.84 1.02 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . 0.449 ' NH2' ' O ' ' A' ' 192' ' ' ASN . 27.2 mtp180 -49.42 -34.08 15.62 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.69 -28.47 64.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.024 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.731 ' CD1' HD11 ' A' ' 155' ' ' LEU . 18.2 mt -81.64 -50.62 9.11 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.476 1.11 . . . . 0.0 109.351 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 173' ' ' ALA . . . . . 0.628 ' O ' ' HB2' ' A' ' 177' ' ' ALA . . . -63.41 -14.93 55.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 174' ' ' TYR . . . . . 0.422 ' CB ' ' O ' ' A' ' 170' ' ' ARG . 71.6 t80 -100.4 -69.36 0.77 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 65.7 m -51.05 -40.82 59.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.044 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 176' ' ' ASN . . . . . 0.472 ' HB3' ' CB ' ' A' ' 137' ' ' LEU . 0.6 OUTLIER -99.3 55.72 1.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.082 . . . . 0.0 109.306 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 177' ' ' ALA . . . . . 0.7 ' HB1' ' HB3' ' A' ' 181' ' ' CYS . . . -129.43 122.81 30.14 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 178' ' ' ASN . . . . . 0.431 ' OD1' ' N ' ' A' ' 180' ' ' GLU . 4.2 p30 -46.58 171.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 181' ' ' CYS . 0.0 OUTLIER -51.62 -77.33 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.48 1.112 . . . . 0.0 109.243 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . 0.431 ' N ' ' OD1' ' A' ' 178' ' ' ASN . 0.1 OUTLIER -36.96 -32.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.078 . . . . 0.0 110.264 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 181' ' ' CYS . . . . . 0.7 ' HB3' ' HB1' ' A' ' 177' ' ' ALA . 0.5 OUTLIER -64.03 -68.03 0.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 108.333 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . 0.449 ' O ' ' NE2' ' A' ' 186' ' ' GLN . 18.1 mt-30 -53.72 -33.23 54.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.452 1.095 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 183' ' ' LYS . . . . . 0.532 ' O ' ' HB2' ' A' ' 187' ' ' ALA . 4.1 ttpp -71.68 -19.9 62.01 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.445 1.091 . . . . 0.0 109.326 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.486 HD23 ' HG3' ' A' ' 188' ' ' ARG . 5.2 tt -80.46 -60.29 2.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 185' ' ' LEU . . . . . 0.827 HD21 ' HG3' ' A' ' 198' ' ' MET . 9.1 mt -52.17 -55.41 21.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.16 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 186' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 182' ' ' GLN . 1.0 OUTLIER -54.74 -55.04 34.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 187' ' ' ALA . . . . . 0.532 ' HB2' ' O ' ' A' ' 183' ' ' LYS . . . -49.28 -36.62 21.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.426 1.079 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 188' ' ' ARG . . . . . 0.486 ' HG3' HD23 ' A' ' 184' ' ' LEU . 0.2 OUTLIER -73.24 -39.03 65.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.596 1.185 . . . . 0.0 110.33 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 77.72 63.21 2.24 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.485 1.115 . . . . 0.0 111.031 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 190' ' ' HIS . . . . . 0.82 ' NE2' HD23 ' A' ' 185' ' ' LEU . 7.5 p80 -155.46 32.85 0.37 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.754 . . . . 0.0 109.533 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 2.0 p -58.6 -51.52 69.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.35 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 192' ' ' ASN . . . . . 0.449 ' O ' ' NH2' ' A' ' 170' ' ' ARG . 7.7 t-20 -62.36 -34.23 76.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 193' ' ' SER . . . . . 0.449 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.3 OUTLIER -48.51 175.08 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.039 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . 0.449 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.2 Cg_endo -74.99 -168.71 0.54 Allowed 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.534 1.808 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 195' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 198' ' ' MET . 4.2 tp -83.83 -36.11 23.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -47.87 -43.87 23.91 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.489 1.118 . . . . 0.0 110.926 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 197' ' ' ASP . . . . . 0.421 ' HB3' ' ND1' ' A' ' 190' ' ' HIS . 0.5 OUTLIER -63.31 -28.04 69.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 0.769 . . . . 0.0 109.301 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 198' ' ' MET . . . . . 0.827 ' HG3' HD21 ' A' ' 185' ' ' LEU . 41.8 ttm -64.39 -49.57 71.07 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.461 1.101 . . . . 0.0 111.056 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 199' ' ' LEU . . . . . 0.489 HD21 HG11 ' A' ' 148' ' ' VAL . 3.2 mm? -63.39 -23.55 67.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.169 . . . . 0.0 109.332 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.16 -14.46 46.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 201' ' ' ALA . . . . . 0.46 ' CB ' ' HD2' ' A' ' 188' ' ' ARG . . . -94.78 -34.76 12.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 202' ' ' CYS . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 144' ' ' TYR . 12.5 p -83.73 -25.37 30.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 108.313 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 203' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 202' ' ' CYS . 8.4 pt20 -35.02 -35.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 204' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 202' ' ' CYS . 6.2 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.351 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.576 ' HE3' ' CZ ' ' A' ' 48' ' ' PHE . 1.7 ttt . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.536 0.208 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 34.9 tp60 -84.87 131.21 34.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 110.271 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.79 -41.38 15.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.85 -31.87 29.57 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -61.73 -51.65 67.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.314 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.449 HD21 ' HE1' ' A' ' 15' ' ' MET . 11.9 mt -59.21 -33.36 70.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.69 -52.02 54.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.31 -44.86 95.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.892 HG22 HD11 ' A' ' 62' ' ' LEU . 56.1 mt -52.41 -54.85 13.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.877 ' HA ' HD21 ' A' ' 62' ' ' LEU . 6.8 tttm -49.44 -32.98 12.93 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.539 1.149 . . . . 0.0 109.209 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.87 -71.32 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.842 ' OE1' HG23 ' A' ' 40' ' ' THR . 9.2 pt-20 -46.67 -26.12 0.86 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 110.326 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.534 HG13 ' CD1' ' A' ' 37' ' ' PHE . 18.6 t -81.59 -43.14 19.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.9 t -48.42 -32.64 7.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.008 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.21 -35.58 66.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.585 1.178 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 27' ' ' VAL . . . -44.77 166.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.499 ' HB3' ' HB2' ' A' ' 34' ' ' SER . . . -105.13 162.62 19.19 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.203 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.435 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.4 Cg_endo -75.06 108.09 2.64 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.422 1.748 . . . . 0.0 110.96 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 71.07 53.9 10.01 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.443 1.089 . . . . 0.0 110.976 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.499 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 6.3 m -137.97 158.8 70.63 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 0.0 109.973 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 49.14 2.17 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.453 1.765 . . . . 0.0 111.05 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.0 tp60 -121.48 -55.25 1.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.256 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.541 ' CE1' HD11 ' A' ' 41' ' ' ILE . 8.9 t80 -59.46 -50.47 73.8 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.587 1.18 . . . . 0.0 110.893 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.811 ' HE1' HD22 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -52.4 -51.62 58.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 111.017 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -50.18 -48.38 54.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 110.271 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.842 HG23 ' OE1' ' A' ' 26' ' ' GLU . 86.5 m -52.0 -34.01 40.88 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.159 . . . . 0.0 110.363 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.786 HG22 HD21 ' A' ' 118' ' ' LEU . 2.8 mm -67.39 -47.71 80.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.58 1.175 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.75 ' HD2' HD13 ' A' ' 118' ' ' LEU . 40.0 mmm-85 -56.91 -32.79 66.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.17 -58.48 5.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.592 1.183 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.7 -37.14 67.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.648 HG22 ' HD2' ' A' ' 50' ' ' PRO . 1.4 t -71.12 -21.82 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.366 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -97.81 -0.58 44.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.269 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -94.34 -66.42 0.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.355 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.576 ' CZ ' ' HE3' ' A' ' 15' ' ' MET . 7.8 p90 -116.19 -31.64 5.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.976 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.485 ' CB ' ' O ' ' A' ' 48' ' ' PHE . 2.6 t70 80.45 95.48 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.25 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.648 ' HD2' HG22 ' A' ' 45' ' ' VAL . 18.2 Cg_endo -74.95 144.15 30.07 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.456 1.766 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.866 HG21 ' HA ' ' A' ' 102' ' ' ASN . 1.4 m -93.22 -177.09 4.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.347 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.471 ' H ' HG22 ' A' ' 51' ' ' THR . . . -49.86 -37.37 30.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.405 ' HD3' ' ND2' ' A' ' 102' ' ' ASN . 0.4 OUTLIER -68.4 -71.0 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.279 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.446 ' HB2' ' CB ' ' A' ' 50' ' ' PRO . 0.1 OUTLIER -44.88 -37.33 3.83 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.449 1.093 . . . . 0.0 109.34 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 1.053 HD13 ' CG ' ' A' ' 117' ' ' TRP . 28.0 mt -68.37 -45.33 73.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.248 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 53' ' ' LYS . 15.8 tp60 -52.11 -51.24 59.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.424 1.078 . . . . 0.0 110.254 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.456 ' O ' ' CB ' ' A' ' 61' ' ' TYR . 32.9 t70 -68.34 -45.73 72.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.621 HD11 HD12 ' A' ' 62' ' ' LEU . 16.8 tp -56.76 -19.36 16.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 33.4 tp -82.04 -50.33 9.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.585 1.178 . . . . 0.0 109.252 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.15 20.12 3.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.331 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.456 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 26.3 t80 -120.19 -43.2 2.54 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.432 1.082 . . . . 0.0 110.944 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.892 HD11 HG22 ' A' ' 23' ' ' ILE . 3.3 mt -98.14 -65.45 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.208 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.481 ' HB3' ' CG1' ' A' ' 67' ' ' VAL . 10.3 m -61.59 -175.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 108.258 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.66 -179.12 3.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.099 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.14 -54.81 12.97 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.529 1.143 . . . . 0.0 110.058 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.6 tp -52.36 -52.74 51.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.416 1.073 . . . . 0.0 109.28 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.481 ' CG1' ' HB3' ' A' ' 63' ' ' CYS . 1.4 t -54.63 -52.51 40.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -44.77 -41.73 7.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.296 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.2 t -68.74 -46.64 68.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.579 1.174 . . . . 0.0 109.995 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 31.2 mt -54.49 -53.89 48.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.494 ' CE1' ' CD1' ' A' ' 117' ' ' TRP . 2.5 t60 -59.79 -45.71 91.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 109.607 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -49.04 -44.53 41.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.094 . . . . 0.0 109.608 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 15.9 tp60 -64.41 -37.4 87.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.277 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.715 ' O ' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -71.62 -21.26 61.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.238 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.715 HD13 HD21 ' A' ' 116' ' ' LEU . 0.3 OUTLIER -83.68 -39.27 20.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.123 . . . . 0.0 109.26 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -60.2 -42.24 94.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.168 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.4 t -73.28 -45.79 53.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.573 1.17 . . . . 0.0 109.956 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.715 HD13 ' O ' ' A' ' 74' ' ' GLN . 5.4 mp -55.28 -56.47 19.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.59 HD12 HD11 ' A' ' 116' ' ' LEU . 1.1 mp -50.14 -46.54 24.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.429 1.08 . . . . 0.0 109.276 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.0 t -50.98 -30.73 15.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.591 1.182 . . . . 0.0 110.007 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -71.34 -38.38 71.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 110.314 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.586 ' HB1' ' CG1' ' A' ' 87' ' ' ILE . . . -66.59 -60.48 2.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.453 ' CD ' ' CE2' ' A' ' 90' ' ' TYR . 0.3 OUTLIER -50.68 -32.96 20.8 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.102 . . . . 0.0 110.318 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.1 m -63.39 -43.94 96.15 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.44 1.087 . . . . 0.0 110.407 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.01 -6.17 51.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.193 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 83.51 -11.69 54.8 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.457 1.098 . . . . 0.0 111.044 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.586 ' CG1' ' HB1' ' A' ' 82' ' ' ALA . 44.1 mt 57.12 163.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.589 0.817 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.609 HG23 ' H ' ' A' ' 89' ' ' GLY . 1.2 t -51.54 -59.87 3.78 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.442 1.089 . . . . 0.0 110.372 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.609 ' H ' HG23 ' A' ' 88' ' ' THR . . . -148.77 56.7 0.48 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.552 1.157 . . . . 0.0 110.989 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.471 ' CD1' ' C ' ' A' ' 90' ' ' TYR . 1.9 t80 -79.84 148.13 31.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 0.757 . . . . 0.0 111.009 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -118.79 129.47 25.38 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.193 0 O-C-N 124.477 1.778 . . . . 0.0 110.949 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.576 ' HB2' HG23 ' A' ' 99' ' ' VAL . 18.5 Cg_endo . . . . . 0 N--CA 1.454 -0.852 0 N-CA-C 111.015 -0.417 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.466 ' CD2' HG12 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -50.82 -28.99 10.56 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -64.83 -15.0 61.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.248 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.576 HG23 ' HB2' ' A' ' 96' ' ' PRO . 54.7 t -91.88 -43.14 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.437 ' HA ' ' ND2' ' A' ' 103' ' ' ASN . 3.6 pt20 -75.23 -13.36 60.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.49 ' O ' ' CG2' ' A' ' 51' ' ' THR . . . -79.72 -18.09 52.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.866 ' HA ' HG21 ' A' ' 51' ' ' THR . 14.3 m-80 -91.2 -4.85 55.69 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.443 1.089 . . . . 0.0 109.255 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.437 ' ND2' ' HA ' ' A' ' 100' ' ' GLN . 3.6 m-20 -80.4 128.71 71.83 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -24.83 12.39 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.429 1.752 . . . . 0.0 110.942 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.78 -35.78 66.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -115.01 73.12 0.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.346 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.485 ' HA ' ' CD ' ' A' ' 110' ' ' ARG . 3.2 pt20 -73.39 -5.28 38.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.343 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -75.18 -38.56 39.39 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.506 1.129 . . . . 0.0 110.977 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.549 HD23 ' CG ' ' A' ' 112' ' ' GLU . 1.2 mt -84.8 -41.61 15.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 0.771 . . . . 0.0 109.354 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.485 ' CD ' ' HA ' ' A' ' 107' ' ' GLN . 1.6 ptm180 -53.77 -37.0 62.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.421 ' N ' ' CG ' ' A' ' 110' ' ' ARG . 0.0 OUTLIER -78.04 -53.87 6.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.549 ' CG ' HD23 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -53.65 -25.48 18.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 110.335 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.443 ' HE2' HD23 ' A' ' 97' ' ' LEU . 2.5 t80 -80.97 -36.36 30.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 0.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.51 -45.68 93.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.267 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.02 -38.1 75.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.717 ' C ' HD23 ' A' ' 116' ' ' LEU . 0.1 OUTLIER -67.68 -29.14 68.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 1.053 ' CG ' HD13 ' A' ' 55' ' ' LEU . 79.7 t90 -65.82 -49.55 67.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 108.029 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.811 HD22 ' HE1' ' A' ' 38' ' ' MET . 83.4 mt -60.66 -28.47 68.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 116' ' ' LEU . . . -59.99 -54.84 41.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.105 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.619 ' CB ' HD23 ' A' ' 75' ' ' LEU . . . -66.48 -34.47 78.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -66.26 -26.64 67.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 110.974 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -103.7 0.58 30.78 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -92.54 0.29 57.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.255 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 90.9 mt -65.07 150.0 96.02 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 109.347 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.131 0 O-C-N 124.53 1.805 . . . . 0.0 110.99 179.965 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.894 0 N-CA-C 110.956 -0.44 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.08 -22.65 60.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.007 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.84 ' HA ' HD12 ' A' ' 136' ' ' ILE . 38.6 p-90 -74.88 -20.01 59.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 108.035 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.32 -12.96 33.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.392 1.058 . . . . 0.0 109.309 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 5.3 t -126.14 31.0 5.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.01 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.84 HD12 ' HA ' ' A' ' 133' ' ' TRP . 23.3 mt -118.49 119.06 60.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.254 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.48 HD23 ' CB ' ' A' ' 176' ' ' ASN . 0.2 OUTLIER -136.73 137.7 40.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . 0.573 ' HG3' ' CD2' ' A' ' 144' ' ' TYR . 0.0 OUTLIER -55.95 141.51 39.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 110.336 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -102.83 123.75 7.94 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.427 1.079 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.515 ' H ' HD23 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -48.81 -44.45 39.2 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 0.74 . . . . 0.0 109.377 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -98.13 38.43 1.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 110.361 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -140.74 171.45 7.64 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 110.329 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . 0.661 ' HB2' ' HB3' ' A' ' 146' ' ' ALA . 18.6 Cg_endo -75.0 108.51 2.74 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.477 1.778 . . . . 0.0 110.97 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' TYR . . . . . 0.818 ' O ' HG23 ' A' ' 148' ' ' VAL . 7.8 t80 -69.77 -43.72 71.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' HIS . . . . . 0.478 ' C ' ' CD2' ' A' ' 145' ' ' HIS . 0.2 OUTLIER -62.58 -58.68 6.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.58 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.661 ' HB3' ' HB2' ' A' ' 143' ' ' PRO . . . -54.56 -32.24 58.05 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.47 1.106 . . . . 0.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . 0.709 ' CE1' HD12 ' A' ' 151' ' ' LEU . 7.4 t80 -70.91 -32.9 69.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.971 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.818 HG23 ' O ' ' A' ' 144' ' ' TYR . 75.4 t -68.0 -47.55 78.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -56.16 -44.74 79.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 110.264 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 153' ' ' ILE . 5.9 ttt180 -65.55 -55.33 18.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 110.299 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.762 ' O ' HD12 ' A' ' 155' ' ' LEU . 0.4 OUTLIER -41.37 -33.1 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.107 . . . . 0.0 109.232 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . 0.475 ' OD1' ' CE ' ' A' ' 165' ' ' LYS . 41.9 t-20 -73.98 -49.56 23.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.259 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . 0.444 ' N ' ' O ' ' A' ' 150' ' ' ARG . 5.6 mt -60.02 -64.98 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -46.27 -30.73 2.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.269 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 0.857 HD11 HD12 ' A' ' 172' ' ' LEU . 5.5 mt -68.61 -60.98 2.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -50.29 -22.91 1.98 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.59 -33.69 69.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . 0.532 ' O ' HD22 ' A' ' 159' ' ' LEU . . . -126.36 39.99 1.9 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.531 1.144 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.728 HD12 ' HB2' ' A' ' 165' ' ' LYS . 0.6 OUTLIER -129.89 116.42 18.04 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.529 0.782 . . . . 0.0 109.305 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 165.93 30.29 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.55 1.816 . . . . 0.0 111.006 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.14 4.27 20.65 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -114.13 20.72 16.36 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.51 1.131 . . . . 0.0 111.025 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' THR . . . . . 0.551 HG23 ' HD2' ' A' ' 164' ' ' PRO . 1.2 m -145.91 142.05 17.38 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.498 0.764 . . . . 0.0 110.355 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 164' ' ' PRO . . . . . 0.551 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.2 Cg_endo -74.98 137.49 21.84 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.549 1.815 . . . . 0.0 111.023 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 165' ' ' LYS . . . . . 0.728 ' HB2' HD12 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -117.07 -38.16 3.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . 0.509 ' N ' ' CD ' ' A' ' 167' ' ' PRO . 0.2 OUTLIER -40.05 -52.27 5.48 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.329 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 167' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 166' ' ' ASP . 18.1 Cg_endo -75.04 -51.06 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.235 0 O-C-N 124.518 1.799 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -46.92 -35.52 2.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.258 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 169' ' ' LEU . . . . . 0.844 HD21 HD22 ' A' ' 195' ' ' LEU . 50.6 tp -64.91 -67.35 0.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.09 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . 0.493 ' O ' ' CB ' ' A' ' 174' ' ' TYR . 1.0 OUTLIER -45.99 -35.19 4.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.264 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.17 -37.55 83.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.049 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.857 HD12 HD11 ' A' ' 155' ' ' LEU . 22.1 mt -70.2 -46.97 63.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.343 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 173' ' ' ALA . . . . . 0.485 ' HB3' ' SD ' ' A' ' 198' ' ' MET . . . -75.88 -1.87 27.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.368 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 174' ' ' TYR . . . . . 0.493 ' CB ' ' O ' ' A' ' 170' ' ' ARG . 0.5 OUTLIER -99.72 -72.1 0.68 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . 0.431 ' N ' ' CG ' ' A' ' 174' ' ' TYR . 0.2 OUTLIER -63.5 -56.56 15.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 0.0 110.011 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 176' ' ' ASN . . . . . 0.48 ' CB ' HD23 ' A' ' 137' ' ' LEU . 3.2 m-20 -79.45 58.34 2.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.559 1.162 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 177' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' A' ' 178' ' ' ASN . . . -139.62 88.55 2.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.474 1.109 . . . . 0.0 109.355 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 178' ' ' ASN . . . . . 0.422 ' OD1' ' N ' ' A' ' 178' ' ' ASN . 0.5 OUTLIER 40.38 -159.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.281 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.33 -7.37 10.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.534 1.146 . . . . 0.0 109.258 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . 0.427 ' HG2' ' N ' ' A' ' 181' ' ' CYS . 18.7 pm0 -113.1 -26.09 8.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.329 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 181' ' ' CYS . . . . . 0.456 ' O ' ' N ' ' A' ' 184' ' ' LEU . 1.1 m -65.65 -58.48 5.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 108.243 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . 0.466 ' HG3' ' CD1' ' A' ' 174' ' ' TYR . 6.9 tt0 -46.08 -37.2 6.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.229 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -37.37 83.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.662 HD23 ' O ' ' A' ' 184' ' ' LEU . 3.4 tt -59.51 -50.28 74.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 185' ' ' LEU . . . . . 0.455 HD23 ' NE2' ' A' ' 190' ' ' HIS . 5.3 mt -50.92 -53.41 32.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 186' ' ' GLN . . . . . 0.552 ' NE2' HG21 ' A' ' 191' ' ' THR . 23.1 mm-40 -58.78 -54.99 40.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.415 1.072 . . . . 0.0 110.294 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -45.79 -43.51 13.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 188' ' ' ARG . . . . . 0.406 ' HG3' ' CD2' ' A' ' 184' ' ' LEU . 0.1 OUTLIER -61.21 -34.45 75.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.344 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 189' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 186' ' ' GLN . . . 79.16 46.28 8.33 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.49 1.118 . . . . 0.0 110.969 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 190' ' ' HIS . . . . . 0.602 ' CG ' ' O ' ' A' ' 190' ' ' HIS . 1.8 p80 -149.7 45.8 0.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.771 . . . . 0.0 109.53 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 191' ' ' THR . . . . . 0.552 HG21 ' NE2' ' A' ' 186' ' ' GLN . 1.0 OUTLIER -65.8 -48.04 73.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.409 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -84.08 57.73 4.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 193' ' ' SER . . . . . 0.534 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER -129.21 179.65 1.25 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.005 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . 0.534 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.6 Cg_endo -74.9 -167.23 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.469 1.773 . . . . 0.0 111.001 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 195' ' ' LEU . . . . . 0.844 HD22 HD21 ' A' ' 169' ' ' LEU . 13.1 tp -86.36 -49.95 7.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.363 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -43.3 -40.99 4.86 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.528 1.143 . . . . 0.0 111.047 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 197' ' ' ASP . . . . . 0.459 ' HB3' ' CE1' ' A' ' 190' ' ' HIS . 2.0 t0 -67.48 -39.49 85.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.578 0.81 . . . . 0.0 109.223 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 198' ' ' MET . . . . . 0.485 ' SD ' ' HB3' ' A' ' 173' ' ' ALA . 52.5 ttm -60.74 -28.42 68.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.929 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 199' ' ' LEU . . . . . 0.639 HD21 HG11 ' A' ' 148' ' ' VAL . 2.0 mm? -80.36 -24.97 39.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.355 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 200' ' ' ARG . . . . . 0.4 ' O ' ' HG2' ' A' ' 203' ' ' GLN . 0.0 OUTLIER -84.9 -8.89 58.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.32 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -99.66 -30.47 12.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.394 1.059 . . . . 0.0 109.325 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 202' ' ' CYS . . . . . . . . . . . . . 14.0 p -87.77 -16.54 33.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.591 1.182 . . . . 0.0 108.308 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 203' ' ' GLN . . . . . 0.405 ' HB3' ' O ' ' A' ' 199' ' ' LEU . 8.4 pt20 -57.03 -16.75 7.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.251 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.347 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.494 ' HE1' ' CD2' ' A' ' 20' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.523 0.201 . . . . 0.0 110.996 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.8 pm0 -95.47 -176.0 3.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.092 . . . . 0.0 110.36 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -43.5 73.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.73 -50.13 73.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -52.57 -52.36 55.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.521 ' HB3' ' CE2' ' A' ' 61' ' ' TYR . 21.4 mt -61.09 -29.33 69.69 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -68.62 -54.9 13.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.34 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.39 -44.03 65.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.411 ' C ' ' N ' ' A' ' 25' ' ' GLN . 15.3 mt -57.62 -54.49 30.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.0 ttpp -46.13 -26.25 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.411 ' N ' ' C ' ' A' ' 23' ' ' ILE . 0.3 OUTLIER -75.24 -68.41 0.56 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.613 ' CD ' HG23 ' A' ' 40' ' ' THR . 3.9 pt-20 -51.34 -25.57 6.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.665 HG23 HG21 ' A' ' 40' ' ' THR . 43.7 t -78.77 -48.0 22.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.2 t -51.0 -24.07 3.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.049 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.49 -40.89 56.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.28 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.663 ' HB1' ' HB3' ' A' ' 36' ' ' GLN . . . -52.46 166.96 0.15 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 109.269 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.449 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -104.35 162.82 18.7 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.449 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.6 Cg_endo -75.01 118.9 5.43 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.446 1.761 . . . . 0.0 111.035 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 72.1 30.85 64.75 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.501 1.126 . . . . 0.0 111.033 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.425 ' OG ' ' HB3' ' A' ' 31' ' ' ALA . 63.8 m -117.96 152.81 50.7 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.555 0.797 . . . . 0.0 110.002 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 50.85 2.63 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.52 1.8 . . . . 0.0 110.974 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.663 ' HB3' ' HB1' ' A' ' 30' ' ' ALA . 31.0 tp60 -121.25 -49.91 2.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.326 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.895 ' CE1' HD11 ' A' ' 41' ' ' ILE . 5.7 t80 -62.28 -64.34 0.96 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 110.963 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 9.5 tpt -44.23 -35.5 2.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -63.7 -38.41 91.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 110.258 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.665 HG21 HG23 ' A' ' 27' ' ' VAL . 1.2 m -69.8 -16.68 63.32 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 110.364 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.895 HD11 ' CE1' ' A' ' 37' ' ' PHE . 10.1 mm -80.72 -40.66 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.347 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.51 -37.67 68.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.163 . . . . 0.0 110.337 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.05 -43.36 95.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.351 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.52 -36.76 83.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.468 HG22 ' HD2' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -70.66 -25.28 26.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.78 -0.94 47.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.32 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -92.47 -71.75 0.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -108.68 -26.47 10.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 0.0 111.059 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 72.2 94.98 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.468 ' HD2' HG22 ' A' ' 45' ' ' VAL . 18.4 Cg_endo -75.01 150.74 38.53 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.494 1.786 . . . . 0.0 110.996 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.0 p -88.81 -177.04 5.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.436 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.07 -51.3 58.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.358 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.412 ' HD3' ' ND2' ' A' ' 102' ' ' ASN . 0.0 OUTLIER -58.16 -59.98 4.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.39 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -44.33 -39.73 4.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 1.076 HD13 ' CG ' ' A' ' 117' ' ' TRP . 25.6 mt -67.69 -44.44 77.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 53' ' ' LYS . 16.9 tp60 -53.65 -53.23 54.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -66.28 -43.62 85.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.599 1.187 . . . . 0.0 109.352 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 21.1 tp -55.59 -28.12 53.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.624 HD23 ' HE1' ' A' ' 72' ' ' HIS . 26.3 tp -73.47 -38.48 65.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.66 4.59 46.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.27 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.521 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 1.3 t80 -96.7 -49.22 5.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 110.958 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.0 mt -112.69 -57.46 2.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.253 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.583 ' CB ' HD12 ' A' ' 59' ' ' LEU . 1.3 m -52.56 123.83 12.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 108.223 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.0 p -65.04 165.36 11.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.577 1.173 . . . . 0.0 110.025 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.468 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 1.7 m -50.32 -70.0 0.1 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.157 . . . . 0.0 109.958 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.2 tp -44.63 -57.47 3.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.451 HG13 HD13 ' A' ' 124' ' ' LEU . 1.4 t -49.16 -48.73 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.233 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 65' ' ' SER . . . -51.65 -54.25 30.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.5 p -53.7 -44.83 70.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.059 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.94 -44.65 87.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.751 ' NE2' ' HB3' ' A' ' 120' ' ' ALA . 53.3 t-80 -65.27 -37.89 88.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.532 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.624 ' HE1' HD23 ' A' ' 59' ' ' LEU . 27.1 m80 -54.99 -42.49 72.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.597 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -71.91 -52.62 16.35 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.434 1.084 . . . . 0.0 110.369 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.405 ' O ' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -52.77 -23.63 7.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.556 HD23 ' CB ' ' A' ' 120' ' ' ALA . 0.2 OUTLIER -83.47 -58.95 2.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.256 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -42.34 -39.08 2.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 109.249 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.49 -48.31 49.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.018 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.86 ' HB3' HD11 ' A' ' 116' ' ' LEU . 0.8 OUTLIER -53.54 -53.32 53.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.568 1.167 . . . . 0.0 109.345 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.732 HG23 HD22 ' A' ' 97' ' ' LEU . 6.9 mm -49.41 -50.53 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.466 ' HA ' ' CG ' ' A' ' 83' ' ' GLU . 1.6 p -48.67 -35.02 12.96 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.549 1.156 . . . . 0.0 110.04 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -65.62 -36.45 83.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 110.224 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.684 ' HB1' HG12 ' A' ' 87' ' ' ILE . . . -72.01 -65.4 0.77 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.553 1.158 . . . . 0.0 109.346 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.466 ' CG ' ' HA ' ' A' ' 80' ' ' SER . 1.5 pt-20 -49.78 -23.11 1.67 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.402 ' CB ' ' O ' ' A' ' 80' ' ' SER . 1.2 m -73.65 -42.98 60.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 110.374 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.38 -1.57 37.68 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.581 1.176 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 83.36 -9.94 60.13 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.443 1.089 . . . . 0.0 110.993 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.847 HG21 HD11 ' A' ' 109' ' ' LEU . 67.7 mt 59.64 154.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 0.781 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.511 HG23 ' N ' ' A' ' 89' ' ' GLY . 3.2 t -52.85 -55.86 20.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.377 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.511 ' N ' HG23 ' A' ' 88' ' ' THR . . . -151.73 59.46 0.42 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.58 1.175 . . . . 0.0 110.938 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.544 ' CG ' ' N ' ' A' ' 91' ' ' ASN . 16.9 t80 -78.95 169.07 18.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 0.755 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.544 ' N ' ' CG ' ' A' ' 90' ' ' TYR . 2.1 t-20 -130.18 129.23 22.88 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 C--N 1.36 1.169 0 O-C-N 124.479 1.778 . . . . 0.0 111.01 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.544 ' HB2' HG23 ' A' ' 99' ' ' VAL . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.86 0 N-CA-C 111.044 -0.406 . . . . 0.0 111.044 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.732 HD22 HG23 ' A' ' 79' ' ' ILE . 7.1 tp -53.89 -20.68 6.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 9.8 ptt180 -74.32 -8.37 56.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.276 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.544 HG23 ' HB2' ' A' ' 96' ' ' PRO . 53.5 t -99.62 -59.63 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.56 ' CD ' HD12 ' A' ' 97' ' ' LEU . 4.8 pt20 -56.83 -17.95 11.15 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.551 1.157 . . . . 0.0 110.274 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.33 -38.09 56.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.412 ' ND2' ' HD3' ' A' ' 53' ' ' LYS . 29.2 p30 -101.26 33.19 2.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -107.08 140.28 21.26 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.219 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 48.79 2.07 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.523 1.801 . . . . 0.0 111.033 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -144.69 -47.14 0.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.285 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -89.36 113.92 25.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.312 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -106.58 -34.49 7.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -65.96 -58.67 8.58 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.454 1.096 . . . . 0.0 110.985 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.847 HD11 HG21 ' A' ' 87' ' ' ILE . 0.4 OUTLIER -60.78 -51.69 68.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 0.767 . . . . 0.0 109.317 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -43.04 -35.43 1.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 110.377 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.7 -53.91 7.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.535 1.147 . . . . 0.0 110.279 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -17.22 9.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -84.91 -39.19 18.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -63.44 -48.95 75.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.57 1.169 . . . . 0.0 110.35 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -68.32 -35.78 78.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.436 1.085 . . . . 0.0 110.265 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.86 HD11 ' HB3' ' A' ' 78' ' ' LEU . 8.2 tt -66.72 -36.71 83.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 1.076 ' CG ' HD13 ' A' ' 55' ' ' LEU . 86.5 t90 -62.61 -43.34 99.05 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.766 HD21 HG22 ' A' ' 41' ' ' ILE . 65.7 mt -65.63 -31.8 73.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.484 ' HB3' ' O ' ' A' ' 116' ' ' LEU . . . -57.65 -60.6 3.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.751 ' HB3' ' NE2' ' A' ' 71' ' ' HIS . . . -58.23 -37.24 74.49 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.789 ' CE1' ' CZ2' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -60.38 -31.91 70.8 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 110.918 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -97.18 0.75 48.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -92.98 -0.15 57.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.451 HD13 HG13 ' A' ' 67' ' ' VAL . 60.1 mt -74.65 154.32 87.41 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.562 1.822 . . . . 0.0 110.978 -179.959 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . 0.661 ' HG2' ' HB2' ' A' ' 134' ' ' ALA . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.885 0 N-CA-C 111.057 -0.401 . . . . 0.0 111.057 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.51 -31.96 63.98 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.616 1.197 . . . . 0.0 109.935 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.782 ' HA ' HD12 ' A' ' 136' ' ' ILE . 20.8 p-90 -73.67 -15.41 61.24 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.661 ' HB2' ' HG2' ' A' ' 131' ' ' PRO . . . -65.34 -11.08 38.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 3.4 t -133.4 33.27 3.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.782 HD12 ' HA ' ' A' ' 133' ' ' TRP . 65.1 mt -115.59 117.22 54.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.81 162.61 35.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.079 . . . . 0.0 109.302 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . 0.568 ' OE1' ' CD1' ' A' ' 144' ' ' TYR . 4.9 tt0 -87.97 103.06 15.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 110.268 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -59.18 159.43 19.2 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.585 1.178 . . . . 0.0 110.974 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.766 HD13 ' O ' ' A' ' 140' ' ' LEU . 3.3 tm? -67.1 -25.03 66.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 0.748 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -116.65 40.07 3.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 110.236 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -138.97 159.64 66.08 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.442 1.089 . . . . 0.0 110.272 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 150.82 38.59 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.483 1.78 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' TYR . . . . . 1.045 ' O ' HG23 ' A' ' 148' ' ' VAL . 6.5 t80 -105.04 -40.04 6.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 111.04 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' HIS . . . . . 0.487 ' HA ' ' CD1' ' A' ' 199' ' ' LEU . 0.5 OUTLIER -60.63 -53.78 53.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.575 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.0 -26.91 68.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.358 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . 0.703 ' CE2' HD12 ' A' ' 151' ' ' LEU . 60.3 t80 -73.5 -42.8 61.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.137 . . . . 0.0 111.0 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 1.045 HG23 ' O ' ' A' ' 144' ' ' TYR . 46.7 t -58.03 -46.57 87.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 109.258 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . 0.498 ' O ' HD12 ' A' ' 153' ' ' ILE . 5.6 tt0 -56.78 -56.13 25.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.264 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 153' ' ' ILE . 4.6 mmt180 -56.59 -47.86 78.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.703 HD12 ' CE2' ' A' ' 147' ' ' PHE . 0.7 OUTLIER -44.76 -41.63 7.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -66.48 -40.9 89.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . 0.498 HD12 ' O ' ' A' ' 149' ' ' GLU . 1.2 mp -65.09 -69.22 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . 0.432 ' N ' HG22 ' A' ' 153' ' ' ILE . . . -41.87 -29.06 0.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 0.819 HD11 HD12 ' A' ' 172' ' ' LEU . 6.4 mt -76.67 -50.47 13.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 153' ' ' ILE . 12.9 t70 -52.78 -20.46 3.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -92.1 -25.47 18.73 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.57 1.169 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 155' ' ' LEU . . . -136.73 53.88 0.73 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.513 1.133 . . . . 0.0 111.039 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.652 ' HG ' HD22 ' A' ' 155' ' ' LEU . 0.2 OUTLIER -166.07 103.63 0.71 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.75 . . . . 0.0 109.281 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 157.19 43.08 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.419 1.747 . . . . 0.0 111.022 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 163' ' ' THR . 6.4 mt-10 -61.49 -51.07 70.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.275 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -40.06 -28.43 0.16 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.469 1.106 . . . . 0.0 111.015 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' THR . . . . . 0.716 HG23 ' HD2' ' A' ' 164' ' ' PRO . 1.9 m -100.23 145.67 30.64 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.444 0.732 . . . . 0.0 110.417 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 164' ' ' PRO . . . . . 0.716 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.5 Cg_endo -75.03 128.48 11.5 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.465 1.771 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 165' ' ' LYS . . . . . 0.407 ' HB2' HD12 ' A' ' 159' ' ' LEU . 1.1 tmpt? -110.13 -24.54 10.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . 0.493 ' CB ' ' HD3' ' A' ' 167' ' ' PRO . 0.4 OUTLIER -52.6 -52.59 62.45 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 167' ' ' PRO . . . . . 0.493 ' HD3' ' CB ' ' A' ' 166' ' ' ASP . 18.1 Cg_endo -75.01 -37.19 2.13 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.553 1.817 . . . . 0.0 110.966 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 168' ' ' ILE . . . . . 0.435 ' CD1' HD21 ' A' ' 159' ' ' LEU . 0.0 OUTLIER -61.51 -34.7 62.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.571 1.17 . . . . 0.0 109.319 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 169' ' ' LEU . . . . . 0.414 HD11 ' HB3' ' A' ' 151' ' ' LEU . 12.5 tp -71.24 -58.99 3.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 7.5 mtm105 -47.39 -25.41 1.02 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 110.28 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.17 -57.68 3.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 109.922 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.819 HD12 HD11 ' A' ' 155' ' ' LEU . 27.6 mt -51.97 -21.04 2.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 173' ' ' ALA . . . . . 0.969 ' O ' ' HB2' ' A' ' 177' ' ' ALA . . . -91.41 -68.05 0.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.102 . . . . 0.0 109.271 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 174' ' ' TYR . . . . . 0.558 ' CD2' HD13 ' A' ' 185' ' ' LEU . 3.0 t80 -73.81 -65.68 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 110.949 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 8.1 t -43.49 -27.99 0.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.944 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 176' ' ' ASN . . . . . 0.401 ' N ' ' C ' ' A' ' 174' ' ' TYR . 54.9 m-20 -126.27 56.39 1.45 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 177' ' ' ALA . . . . . 0.969 ' HB2' ' O ' ' A' ' 173' ' ' ALA . . . -121.53 136.94 54.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 178' ' ' ASN . . . . . 0.447 ' OD1' ' N ' ' A' ' 178' ' ' ASN . 2.8 p-10 -52.58 -175.67 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.33 -47.63 22.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . 0.473 ' HB2' ' CD2' ' A' ' 140' ' ' LEU . 1.1 tp10 -56.58 -27.31 57.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.595 1.185 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 181' ' ' CYS . . . . . 0.545 ' SG ' ' CE2' ' A' ' 144' ' ' TYR . 54.0 t -84.51 -68.98 0.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 108.259 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . 0.408 ' HG3' ' N ' ' A' ' 183' ' ' LYS . 3.1 pp0? -44.13 -33.53 1.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.362 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 183' ' ' LYS . . . . . 0.408 ' N ' ' HG3' ' A' ' 182' ' ' GLN . 11.5 ttpp -73.43 -42.32 62.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.591 1.182 . . . . 0.0 109.316 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.672 HD23 ' O ' ' A' ' 184' ' ' LEU . 2.1 tt -57.79 -50.46 73.18 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 185' ' ' LEU . . . . . 0.961 HD11 ' SD ' ' A' ' 198' ' ' MET . 6.7 mt -52.37 -55.6 20.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 186' ' ' GLN . . . . . 0.422 ' NE2' ' OH ' ' A' ' 174' ' ' TYR . 20.5 mm-40 -55.59 -47.3 76.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.329 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -58.08 -21.64 46.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 188' ' ' ARG . . . . . 0.472 ' HG3' ' CD2' ' A' ' 184' ' ' LEU . 0.0 OUTLIER -91.9 -22.04 20.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.536 1.147 . . . . 0.0 110.296 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 65.93 55.51 19.06 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 190' ' ' HIS . . . . . 0.79 ' NE2' HD23 ' A' ' 185' ' ' LEU . 1.5 p80 -155.02 36.92 0.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 0.741 . . . . 0.0 109.619 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 191' ' ' THR . . . . . 0.41 ' HB ' ' CE2' ' A' ' 174' ' ' TYR . 43.4 p -60.84 -60.22 4.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.402 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -77.16 59.99 1.83 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 193' ' ' SER . . . . . 0.539 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER -134.64 -179.47 1.08 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.974 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . 0.539 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.4 Cg_endo -74.96 -168.6 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.495 1.787 . . . . 0.0 110.962 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 195' ' ' LEU . . . . . 0.808 HD21 ' CG1' ' A' ' 148' ' ' VAL . 4.7 tp -86.05 -36.36 19.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -45.54 -40.43 8.52 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.544 1.153 . . . . 0.0 110.976 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 197' ' ' ASP . . . . . 0.403 ' HB3' ' ND1' ' A' ' 190' ' ' HIS . 13.6 m-20 -77.3 -29.17 53.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 0.741 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 198' ' ' MET . . . . . 0.961 ' SD ' HD11 ' A' ' 185' ' ' LEU . 32.7 tpp -60.28 -50.17 74.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 111.011 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 199' ' ' LEU . . . . . 0.512 HD21 HG11 ' A' ' 148' ' ' VAL . 2.7 mm? -73.3 -22.6 60.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.259 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -79.73 -17.52 53.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.261 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -93.01 -37.33 12.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.652 1.22 . . . . 0.0 109.308 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 202' ' ' CYS . . . . . 0.41 ' O ' ' C ' ' A' ' 203' ' ' GLN . 43.4 t -81.08 -21.39 40.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.149 . . . . 0.0 108.33 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 203' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 202' ' ' CYS . 12.8 pt20 -38.16 -36.54 0.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 110.288 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 6.6 t . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.346 -179.952 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.569 ' HG3' ' CZ ' ' A' ' 48' ' ' PHE . 2.8 ttt . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.479 0.18 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 19' ' ' ASP . 0.0 OUTLIER -80.02 153.92 28.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.447 ' O ' ' NE2' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -45.52 -25.6 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.908 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.44 -41.39 96.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 109.347 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 16' ' ' GLN . 0.6 OUTLIER -59.05 -58.77 7.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.092 . . . . 0.0 109.287 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.772 ' HA ' HD12 ' A' ' 23' ' ' ILE . 4.6 mt -54.72 -27.03 37.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' A' ' 17' ' ' MET . 4.9 mt-30 -71.55 -53.4 13.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.277 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.08 -30.59 68.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.098 . . . . 0.0 109.343 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.772 HD12 ' HA ' ' A' ' 20' ' ' LEU . 55.0 mt -66.39 -51.27 60.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.628 ' HA ' HD21 ' A' ' 62' ' ' LEU . 4.1 ttpp -51.59 -28.34 13.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.596 1.185 . . . . 0.0 109.374 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -72.17 -69.82 0.37 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.553 1.158 . . . . 0.0 110.297 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.767 ' CD ' HG23 ' A' ' 40' ' ' THR . 2.6 pt-20 -51.96 -23.74 5.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.267 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.869 HG23 HG21 ' A' ' 40' ' ' THR . 5.3 t -79.06 -47.6 22.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.353 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.2 t -48.18 -35.15 11.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 109.961 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -67.9 -32.34 72.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.273 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 27' ' ' VAL . . . -47.64 168.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.687 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -109.45 172.36 3.7 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.687 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.4 Cg_endo -75.03 115.82 4.4 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.508 1.794 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 57.8 43.72 94.53 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.552 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 2.9 m -118.81 157.28 50.56 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.581 0.812 . . . . 0.0 109.962 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 48.48 2.01 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.401 1.738 . . . . 0.0 111.025 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -121.64 -58.8 1.73 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.642 ' HD2' HG13 ' A' ' 27' ' ' VAL . 3.0 t80 -54.91 -52.95 61.31 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.549 1.155 . . . . 0.0 110.985 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.563 ' HE1' ' HB3' ' A' ' 118' ' ' LEU . 0.0 OUTLIER -57.83 -41.95 83.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 42.2 tp60 -56.46 -36.16 68.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.869 HG21 HG23 ' A' ' 27' ' ' VAL . 1.3 m -68.32 -31.18 70.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.412 1.07 . . . . 0.0 110.417 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.693 HG22 HD21 ' A' ' 118' ' ' LEU . 16.8 mm -63.98 -47.67 89.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.2 tpp180 -66.04 -28.68 69.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.369 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.3 tp -67.29 -34.39 77.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.248 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.27 -42.96 22.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.113 . . . . 0.0 109.286 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.834 HG11 HD11 ' A' ' 118' ' ' LEU . 0.5 OUTLIER -68.53 -18.52 23.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -99.55 -24.22 14.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 110.26 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -67.42 -68.49 0.38 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 110.259 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.569 ' CZ ' ' HG3' ' A' ' 15' ' ' MET . 12.3 p90 -115.31 -28.18 6.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.423 ' OD1' ' NE2' ' A' ' 114' ' ' GLN . 6.9 t70 75.4 94.79 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.431 ' CD ' ' HA ' ' A' ' 45' ' ' VAL . 18.1 Cg_endo -75.0 160.5 40.08 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.498 1.789 . . . . 0.0 110.955 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.6 p -90.41 -179.36 5.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 110.37 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.77 -51.99 66.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -51.74 -52.13 50.92 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.558 1.161 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -55.0 -49.63 71.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.253 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.939 HD13 ' CG ' ' A' ' 117' ' ' TRP . 20.0 mt -54.33 -47.76 72.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -48.38 -48.36 36.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.321 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.413 ' C ' ' N ' ' A' ' 59' ' ' LEU . 2.1 m-20 -69.79 -53.47 18.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.513 HD11 HD12 ' A' ' 62' ' ' LEU . 18.4 tp -48.21 -24.31 1.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.412 1.07 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.497 HD13 ' HE1' ' A' ' 121' ' ' PHE . 50.6 tp -76.9 -52.22 9.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.23 25.01 2.32 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.519 1.137 . . . . 0.0 110.237 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.461 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 36.0 t80 -120.69 -49.78 2.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.173 . . . . 0.0 111.007 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.628 HD21 ' HA ' ' A' ' 24' ' ' LYS . 3.5 mt -88.54 -53.27 4.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.536 ' SG ' HG11 ' A' ' 67' ' ' VAL . 60.4 m -82.12 -173.92 4.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 108.227 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.8 m -104.89 175.9 5.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.998 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.0 m -59.34 -44.28 92.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.047 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.7 tp -52.78 -60.33 3.4 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.45 1.094 . . . . 0.0 109.413 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.536 HG11 ' SG ' ' A' ' 63' ' ' CYS . 2.4 t -49.58 -49.02 19.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.147 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.405 ' HA ' HD21 ' A' ' 59' ' ' LEU . . . -51.19 -47.11 62.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.8 p -60.08 -54.03 50.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.985 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.444 ' O ' ' NE2' ' A' ' 74' ' ' GLN . 63.5 mt -50.84 -51.91 46.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.473 ' CE1' HD23 ' A' ' 75' ' ' LEU . 2.5 t60 -57.44 -44.23 84.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.608 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -52.96 -23.55 7.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.633 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -80.9 -70.89 0.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.258 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.82 ' O ' HD13 ' A' ' 78' ' ' LEU . 0.4 OUTLIER -47.2 -44.84 22.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.257 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.509 HD21 HD23 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -58.44 -52.59 64.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -47.6 -51.47 21.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.1 t -62.7 -40.29 96.67 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.494 1.121 . . . . 0.0 109.96 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.82 HD13 ' O ' ' A' ' 74' ' ' GLN . 5.9 mp -54.58 -45.52 73.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.618 HD12 HD21 ' A' ' 97' ' ' LEU . 12.2 mm -56.45 -54.62 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.427 ' HA ' ' CG ' ' A' ' 83' ' ' GLU . 0.5 OUTLIER -46.57 -28.81 1.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.409 1.068 . . . . 0.0 110.034 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -71.79 -39.42 69.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.33 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.808 ' HB1' HG12 ' A' ' 87' ' ' ILE . . . -65.53 -58.69 5.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.427 ' CG ' ' HA ' ' A' ' 80' ' ' SER . 0.0 OUTLIER -55.15 -35.27 64.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.309 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.7 m -67.38 -47.22 71.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.592 1.183 . . . . 0.0 110.448 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.87 0.06 22.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 110.282 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 71.78 88.06 0.14 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.525 1.141 . . . . 0.0 110.966 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.808 HG12 ' HB1' ' A' ' 82' ' ' ALA . 82.2 mt -52.41 156.41 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.459 0.74 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.727 HG23 ' H ' ' A' ' 89' ' ' GLY . 0.0 OUTLIER -42.75 -73.8 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.382 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.727 ' H ' HG23 ' A' ' 88' ' ' THR . . . -140.35 54.69 0.65 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.482 1.114 . . . . 0.0 111.026 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.466 ' HB2' ' CG2' ' A' ' 87' ' ' ILE . 60.4 t80 -80.26 142.34 34.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 0.733 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -109.61 100.54 42.64 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 0.0 110.989 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.471 ' HB2' ' CG2' ' A' ' 99' ' ' VAL . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.802 0 N-CA-C 110.931 -0.449 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.618 HD21 HD12 ' A' ' 79' ' ' ILE . 19.0 tp -120.27 -48.79 2.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.439 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 0.1 OUTLIER -60.95 -27.4 68.21 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.439 1.087 . . . . 0.0 110.334 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.471 ' CG2' ' HB2' ' A' ' 96' ' ' PRO . 92.6 t -61.39 -47.12 94.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -71.35 -28.71 64.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.308 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.52 -37.98 71.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.375 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 98' ' ' ARG . 25.3 p30 -102.17 35.68 2.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -109.86 134.9 20.51 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.419 1.074 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 48.58 2.02 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.405 1.739 . . . . 0.0 110.973 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 20.7 mm-40 -147.72 -48.61 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.337 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.3 116.39 23.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.26 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 13.4 tm0? -106.41 -33.89 7.59 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -61.06 -56.89 21.42 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.868 HD23 ' HG2' ' A' ' 112' ' ' GLU . 1.3 mt -62.24 -44.91 95.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 0.734 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.45 -38.75 4.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 110.248 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.403 ' C ' ' N ' ' A' ' 113' ' ' TYR . 0.3 OUTLIER -75.75 -61.14 2.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.275 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.868 ' HG2' HD23 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -46.47 -24.71 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 0.0 110.256 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.426 ' N ' ' HG3' ' A' ' 112' ' ' GLU . 7.1 t80 -79.65 -40.89 28.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 111.017 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.423 ' NE2' ' OD1' ' A' ' 49' ' ' ASP . 26.5 mt-30 -59.36 -46.46 88.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.8 -49.82 23.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.708 HD11 ' HB3' ' A' ' 78' ' ' LEU . 7.6 tt -51.84 -42.44 62.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.939 ' CG ' HD13 ' A' ' 55' ' ' LEU . 74.4 t90 -59.27 -51.52 69.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.567 1.167 . . . . 0.0 107.975 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.834 HD11 HG11 ' A' ' 45' ' ' VAL . 64.9 mt -54.99 -36.08 65.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 116' ' ' LEU . . . -55.59 -58.58 7.19 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.435 1.084 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.503 ' HB1' ' HG3' ' A' ' 74' ' ' GLN . . . -51.45 -47.21 63.16 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.799 ' CE1' ' CZ2' ' A' ' 117' ' ' TRP . 0.3 OUTLIER -55.16 -50.03 70.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.59 -2.77 30.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.466 ' HB3' ' OE1' ' A' ' 74' ' ' GLN . . . -95.35 8.09 44.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.349 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 24.9 mt -86.84 157.55 54.56 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.115 . . . . 0.0 109.343 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.479 1.778 . . . . 0.0 111.008 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . 0.793 ' HG2' ' HB2' ' A' ' 134' ' ' ALA . 17.9 Cg_endo . . . . . 0 N--CA 1.453 -0.859 0 N-CA-C 110.95 -0.442 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.97 -31.18 58.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.965 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.773 ' HA ' HD12 ' A' ' 136' ' ' ILE . 25.5 p-90 -75.06 -10.08 59.14 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.571 1.17 . . . . 0.0 107.936 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.793 ' HB2' ' HG2' ' A' ' 131' ' ' PRO . . . -69.38 -8.29 45.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.236 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.04 30.6 4.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.03 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.773 HD12 ' HA ' ' A' ' 133' ' ' TRP . 44.4 mt -119.9 118.64 57.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.641 HD23 ' OD1' ' A' ' 176' ' ' ASN . 0.3 OUTLIER -135.5 -178.5 5.14 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . 0.44 ' HG3' ' CG ' ' A' ' 144' ' ' TYR . 0.0 OUTLIER -99.04 113.58 25.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.274 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . 0.423 ' O ' ' NE2' ' A' ' 138' ' ' GLN . . . -70.08 144.99 40.54 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.7 HD21 ' HB2' ' A' ' 180' ' ' GLU . 2.1 tm? -57.56 -41.81 81.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.767 . . . . 0.0 109.212 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -114.27 41.38 2.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 110.287 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -125.96 160.38 57.1 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . 0.479 ' HB2' ' HB3' ' A' ' 146' ' ' ALA . 18.3 Cg_endo -74.98 99.55 1.26 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.579 1.831 . . . . 0.0 110.967 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' TYR . . . . . 0.625 ' O ' HG23 ' A' ' 148' ' ' VAL . 1.3 t80 -62.24 -48.08 81.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' HIS . . . . . 0.5 ' HA ' ' CD1' ' A' ' 199' ' ' LEU . 3.0 t-160 -53.03 -55.58 22.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.61 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.479 ' HB3' ' HB2' ' A' ' 143' ' ' PRO . . . -59.88 -24.39 64.23 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.539 1.149 . . . . 0.0 109.341 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . 0.538 ' CZ ' ' O ' ' A' ' 137' ' ' LEU . 0.1 OUTLIER -75.39 -41.79 55.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.437 1.086 . . . . 0.0 110.996 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 144' ' ' TYR . 46.2 t -60.18 -46.28 94.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.248 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.23 -53.3 59.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 110.237 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -44.65 93.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.294 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.693 ' O ' HD12 ' A' ' 155' ' ' LEU . 0.8 OUTLIER -49.1 -38.21 23.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.34 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -65.78 -47.85 73.78 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.561 1.163 . . . . 0.0 109.346 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . 0.404 ' C ' ' N ' ' A' ' 155' ' ' LEU . 2.8 mt -62.33 -67.93 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -43.76 -29.84 0.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.583 1.177 . . . . 0.0 109.265 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 0.693 HD12 ' O ' ' A' ' 151' ' ' LEU . 5.8 mt -69.0 -60.66 2.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -50.11 -22.74 1.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . 0.404 ' N ' ' C ' ' A' ' 155' ' ' LEU . 0.9 OUTLIER -70.31 -30.07 66.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . 0.577 ' O ' HD22 ' A' ' 159' ' ' LEU . . . -137.27 44.46 1.14 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.493 1.12 . . . . 0.0 110.959 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.577 HD22 ' O ' ' A' ' 158' ' ' GLY . 0.5 OUTLIER -132.3 116.18 15.26 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.468 0.746 . . . . 0.0 109.319 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 161.74 38.27 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.448 1.762 . . . . 0.0 111.062 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -77.07 -3.99 42.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.327 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -111.39 23.96 16.9 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.52 1.137 . . . . 0.0 111.036 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' THR . . . . . 0.537 HG23 ' HD2' ' A' ' 164' ' ' PRO . 2.5 m -137.33 141.01 32.4 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.471 0.748 . . . . 0.0 110.385 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 164' ' ' PRO . . . . . 0.537 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.3 Cg_endo -75.0 134.23 17.55 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.488 1.783 . . . . 0.0 110.96 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 165' ' ' LYS . . . . . 0.551 ' HB2' HD12 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -113.77 -33.05 5.93 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . 0.509 ' N ' ' CD ' ' A' ' 167' ' ' PRO . 0.1 OUTLIER -41.02 -51.91 7.19 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 167' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 166' ' ' ASP . 18.3 Cg_endo -74.98 -52.71 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.538 1.81 . . . . 0.0 110.988 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -45.92 -47.34 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.228 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 169' ' ' LEU . . . . . 0.47 HD13 HD12 ' A' ' 155' ' ' LEU . 28.0 tp -61.48 -53.91 50.26 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 20.6 ttp85 -64.16 -12.04 36.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.273 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 171' ' ' SER . . . . . 0.494 ' O ' ' CB ' ' A' ' 175' ' ' SER . 0.3 OUTLIER -91.14 -33.74 15.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.967 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.504 HD21 ' CE3' ' A' ' 133' ' ' TRP . 7.0 mt -81.58 -16.27 52.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 173' ' ' ALA . . . . . 0.808 ' O ' ' HB2' ' A' ' 177' ' ' ALA . . . -92.91 -32.56 14.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.245 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 174' ' ' TYR . . . . . 0.404 ' C ' ' N ' ' A' ' 176' ' ' ASN . 81.1 t80 -107.28 -68.47 0.89 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 110.971 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 171' ' ' SER . 0.1 OUTLIER -44.92 -26.87 0.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.102 . . . . 0.0 109.99 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 176' ' ' ASN . . . . . 0.641 ' OD1' HD23 ' A' ' 137' ' ' LEU . 27.6 m-20 -125.04 61.68 1.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.258 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 177' ' ' ALA . . . . . 0.808 ' HB2' ' O ' ' A' ' 173' ' ' ALA . . . -132.98 147.19 52.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 178' ' ' ASN . . . . . 0.549 ' OD1' HD23 ' A' ' 140' ' ' LEU . 0.4 OUTLIER -50.92 179.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.11 -36.53 47.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.221 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . 0.7 ' HB2' HD21 ' A' ' 140' ' ' LEU . 0.2 OUTLIER -73.53 -29.73 62.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 110.338 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 181' ' ' CYS . . . . . 0.576 ' SG ' ' CD2' ' A' ' 144' ' ' TYR . 23.3 t -72.03 -59.86 2.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 108.32 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . 0.689 ' HG3' ' HB3' ' A' ' 177' ' ' ALA . 27.8 mt-30 -55.78 -43.46 76.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 0.0 110.266 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 9.3 ttpp -60.1 -35.89 76.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.685 ' C ' HD23 ' A' ' 184' ' ' LEU . 3.3 tt -64.21 -56.96 11.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 185' ' ' LEU . . . . . 0.719 HD11 ' HE2' ' A' ' 198' ' ' MET . 4.9 mt -47.27 -50.44 21.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 186' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 189' ' ' GLY . 0.9 OUTLIER -61.32 -60.95 2.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.344 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -44.62 -27.04 0.43 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.138 . . . . 0.0 109.337 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 188' ' ' ARG . . . . . 0.601 ' HD2' ' HB1' ' A' ' 201' ' ' ALA . 0.2 OUTLIER -78.04 -44.89 25.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 189' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 186' ' ' GLN . . . 82.53 72.52 1.26 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.494 1.121 . . . . 0.0 111.043 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 190' ' ' HIS . . . . . 0.688 ' NE2' HD23 ' A' ' 185' ' ' LEU . 4.5 p80 -166.71 29.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 0.733 . . . . 0.0 109.588 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 1.9 p -58.43 -50.26 74.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.336 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -63.97 -32.23 73.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 109.317 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 193' ' ' SER . . . . . 0.497 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.2 OUTLIER -49.46 178.03 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 109.983 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . 0.497 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.5 Cg_endo -74.92 -166.69 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.529 1.805 . . . . 0.0 111.065 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 195' ' ' LEU . . . . . 0.998 HD12 ' SD ' ' A' ' 198' ' ' MET . 4.4 tp -86.65 -40.28 15.27 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -47.23 -34.41 8.41 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.468 1.105 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 197' ' ' ASP . . . . . 0.423 ' HB3' ' ND1' ' A' ' 190' ' ' HIS . 46.4 t0 -69.42 -32.3 71.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 0.736 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 198' ' ' MET . . . . . 0.998 ' SD ' HD12 ' A' ' 195' ' ' LEU . 59.1 mtp -62.96 -31.52 72.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 199' ' ' LEU . . . . . 0.505 HD11 ' HB ' ' A' ' 148' ' ' VAL . 2.9 mm? -83.34 -21.69 33.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -91.22 -8.14 49.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 201' ' ' ALA . . . . . 0.601 ' HB1' ' HD2' ' A' ' 188' ' ' ARG . . . -97.21 -38.65 9.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 202' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 203' ' ' GLN . 14.5 p -82.43 -24.22 34.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 108.28 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 203' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 202' ' ' CYS . 17.6 pt20 -35.53 -42.22 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 204' ' ' THR . . . . . 0.406 ' N ' ' HG3' ' A' ' 203' ' ' GLN . 4.4 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.406 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.556 ' HG3' ' CE1' ' A' ' 48' ' ' PHE . 3.0 ttt . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.464 0.174 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 43.3 tp60 -80.99 145.72 31.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.323 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.43 -36.97 7.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.6 pttt -64.59 -40.1 94.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -52.97 -47.13 68.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.478 ' CD2' ' CE ' ' A' ' 15' ' ' MET . 17.0 mt -62.69 -36.82 84.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -63.16 -57.26 11.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.424 1.078 . . . . 0.0 110.295 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.32 -45.47 69.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.455 ' HA ' ' CG ' ' A' ' 26' ' ' GLU . 57.7 mt -51.97 -50.81 32.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.581 1.175 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -50.64 -31.52 16.36 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.518 1.137 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.26 -71.06 0.36 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.661 ' CD ' HG23 ' A' ' 40' ' ' THR . 7.3 pt-20 -46.46 -24.53 0.52 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.517 1.136 . . . . 0.0 110.328 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.575 HG23 HG21 ' A' ' 40' ' ' THR . 14.1 t -80.6 -47.96 20.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.1 t -46.5 -37.46 7.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.024 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -59.16 -42.37 90.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.472 ' CB ' ' HB3' ' A' ' 36' ' ' GLN . . . -62.92 179.27 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.47 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -130.56 163.21 49.94 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.47 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.1 Cg_endo -75.04 63.29 6.02 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.516 1.798 . . . . 0.0 110.965 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 161.7 -34.28 0.37 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.2 t -68.42 141.65 93.6 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.464 0.744 . . . . 0.0 109.988 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 52.07 2.96 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.521 1.801 . . . . 0.0 111.063 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.472 ' HB3' ' CB ' ' A' ' 30' ' ' ALA . 9.5 tp60 -120.93 -41.83 2.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.34 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.422 ' HD1' HG13 ' A' ' 27' ' ' VAL . 3.6 t80 -64.21 -63.0 1.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 9.5 tpt -47.56 -47.09 28.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.937 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -51.17 -48.18 61.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.544 1.152 . . . . 0.0 110.323 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.661 HG23 ' CD ' ' A' ' 26' ' ' GLU . 5.1 m -56.46 -27.71 57.68 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.478 1.111 . . . . 0.0 110.435 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.672 HG22 HD21 ' A' ' 118' ' ' LEU . 4.6 mm -74.81 -39.67 45.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.888 ' HD2' HD13 ' A' ' 118' ' ' LEU . 5.8 mmm180 -74.63 -22.48 58.89 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.6 tp -78.17 -48.3 16.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.53 -49.47 73.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.977 HG11 HD11 ' A' ' 118' ' ' LEU . 0.3 OUTLIER -60.75 -26.61 38.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.328 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -95.29 0.07 53.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.271 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -89.26 -72.11 0.57 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.388 1.055 . . . . 0.0 110.246 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.556 ' CE1' ' HG3' ' A' ' 15' ' ' MET . 8.0 p90 -110.42 -26.4 9.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.427 ' CB ' ' O ' ' A' ' 48' ' ' PHE . 1.9 m-20 76.75 92.58 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.352 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.436 ' HB2' ' CB ' ' A' ' 54' ' ' ASP . 18.1 Cg_endo -75.02 143.39 28.94 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.524 1.802 . . . . 0.0 110.984 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.8 p -65.69 -173.62 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.381 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 98' ' ' ARG . . . -65.83 -52.44 50.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.429 ' HD3' ' N ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -55.7 -39.86 71.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.436 ' CB ' ' HB2' ' A' ' 50' ' ' PRO . 96.3 m-20 -59.12 -40.0 84.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 109.351 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 1.012 HD13 ' CG ' ' A' ' 117' ' ' TRP . 26.0 mt -64.61 -44.63 89.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.438 ' CA ' ' OE1' ' A' ' 56' ' ' GLN . 4.0 tp60 -55.34 -51.6 66.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.298 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -64.92 -45.03 87.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.335 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 20.7 tp -56.19 -31.95 63.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.498 HD12 ' HB2' ' A' ' 63' ' ' CYS . 46.0 tp -64.23 -58.11 7.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.46 -23.1 67.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.531 1.145 . . . . 0.0 110.316 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -63.22 -59.44 4.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.7 mt -96.06 -69.28 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.498 ' HB2' HD12 ' A' ' 59' ' ' LEU . 68.4 m -51.97 137.88 25.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.559 1.162 . . . . 0.0 108.245 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.9 t -75.59 -177.59 3.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 109.988 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 36.5 m -61.24 -51.29 69.59 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.491 1.119 . . . . 0.0 109.974 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.1 tp -53.37 -61.21 2.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.523 ' CG1' HD13 ' A' ' 124' ' ' LEU . 18.4 t -54.41 -56.52 9.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.475 ' HA ' HD21 ' A' ' 59' ' ' LEU . . . -43.97 -37.45 2.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.2 p -75.99 -38.75 57.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.976 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 67' ' ' VAL . 20.2 mt -59.88 -54.57 44.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.558 ' CE1' ' CD1' ' A' ' 117' ' ' TRP . 2.0 t60 -60.28 -38.82 84.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.556 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -50.31 -35.71 28.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.576 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -74.07 -63.65 1.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.364 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -47.96 -28.21 2.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 110.383 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.826 HD13 ' CD1' ' A' ' 79' ' ' ILE . 0.4 OUTLIER -79.91 -49.01 12.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -52.05 -46.8 65.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.395 1.059 . . . . 0.0 109.277 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.27 -33.57 75.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.125 . . . . 0.0 110.046 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.912 HD23 ' HG ' ' A' ' 116' ' ' LEU . 4.2 tp -56.74 -56.59 19.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.404 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.826 ' CD1' HD13 ' A' ' 75' ' ' LEU . 2.3 mp -53.19 -46.69 56.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.466 ' HA ' ' CG ' ' A' ' 83' ' ' GLU . 33.4 t -47.93 -31.74 5.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.95 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -72.03 -50.4 28.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.344 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.964 ' HB1' HD11 ' A' ' 87' ' ' ILE . . . -58.08 -60.13 4.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -51.45 -43.36 62.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.249 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.3 m -57.22 -44.84 84.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.326 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.79 -0.18 49.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.576 1.172 . . . . 0.0 110.315 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 55.52 81.7 0.06 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.485 1.115 . . . . 0.0 110.97 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 1.089 HD13 HD21 ' A' ' 109' ' ' LEU . 3.6 mt -40.26 140.24 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.763 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 87' ' ' ILE . 1.6 t -38.09 -30.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 110.348 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.706 ' H ' HG22 ' A' ' 87' ' ' ILE . . . -142.63 58.07 0.55 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.475 1.109 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 83' ' ' GLU . 23.0 t80 -79.41 174.5 11.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 0.793 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.416 ' N ' ' CG ' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -160.18 115.3 1.45 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.209 0 O-C-N 124.536 1.809 . . . . 0.0 110.992 -179.997 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.845 0 N-CA-C 111.004 -0.422 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.878 HD11 HD22 ' A' ' 109' ' ' LEU . 6.2 tp -42.81 -41.43 3.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 109.345 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.432 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 3.4 ptt180 -46.93 -38.99 11.43 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.467 1.105 . . . . 0.0 110.294 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 70.1 t -73.05 -49.25 40.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.163 . . . . 0.0 109.302 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -55.71 -20.33 14.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.254 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -102.54 15.79 28.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 109.287 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -120.88 -2.45 9.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.392 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -92.44 138.14 24.21 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 48.63 2.06 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.501 1.79 . . . . 0.0 111.046 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -140.3 -48.31 0.44 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.493 1.121 . . . . 0.0 110.251 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -80.96 90.68 5.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -89.87 -29.34 18.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.132 . . . . 0.0 110.276 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -68.19 -58.99 6.69 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 1.089 HD21 HD13 ' A' ' 87' ' ' ILE . 0.5 OUTLIER -65.88 -12.46 54.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 0.777 . . . . 0.0 109.26 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -72.36 -56.78 4.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 110.228 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -46.86 85.8 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 113' ' ' TYR . 0.0 OUTLIER -52.17 -33.99 42.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 110.264 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.491 ' HA ' HD22 ' A' ' 116' ' ' LEU . 3.5 t80 -68.96 -45.31 71.04 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.547 1.154 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -50.22 -43.6 52.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.297 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -77.16 -45.81 25.48 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.446 1.091 . . . . 0.0 110.319 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.912 ' HG ' HD23 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -53.22 -35.48 59.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.274 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 1.012 ' CG ' HD13 ' A' ' 55' ' ' LEU . 32.0 t90 -68.68 -63.77 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 107.964 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.977 HD11 HG11 ' A' ' 45' ' ' VAL . 97.8 mt -45.41 -28.53 0.89 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.113 . . . . 0.0 109.368 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.539 ' HB3' ' O ' ' A' ' 116' ' ' LEU . . . -63.25 -66.36 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.424 ' HB3' ' ND1' ' A' ' 71' ' ' HIS . . . -56.74 -25.2 54.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.639 ' CE1' ' CZ2' ' A' ' 117' ' ' TRP . 0.4 OUTLIER -71.71 -47.93 50.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.555 1.159 . . . . 0.0 111.009 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -80.19 -0.2 35.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 109.253 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -88.89 1.51 55.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.604 1.19 . . . . 0.0 109.23 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.523 HD13 ' CG1' ' A' ' 67' ' ' VAL . 53.8 mt -74.75 156.53 86.52 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.102 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.174 0 O-C-N 124.438 1.757 . . . . 0.0 110.981 -179.977 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 111.045 -0.406 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.59 -24.52 56.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.978 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.591 ' CE3' HD11 ' A' ' 172' ' ' LEU . 43.0 p-90 -76.49 -21.59 55.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 108.005 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.6 -9.01 47.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 57.0 p -125.78 30.35 5.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.96 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.533 HD12 ' HA ' ' A' ' 133' ' ' TRP . 18.0 mt -123.39 120.63 60.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.573 1.171 . . . . 0.0 109.235 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.564 HD23 ' CG ' ' A' ' 176' ' ' ASN . 0.3 OUTLIER -137.17 149.12 47.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 109.242 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . 0.608 ' OE1' ' CD2' ' A' ' 144' ' ' TYR . 0.8 OUTLIER -73.67 127.22 32.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -92.28 134.68 12.34 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.465 1.103 . . . . 0.0 110.943 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.472 ' H ' HD23 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -49.51 -42.78 44.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 0.754 . . . . 0.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -100.61 38.8 1.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -128.54 161.26 58.11 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 110.258 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . 0.558 ' HB2' ' HB3' ' A' ' 146' ' ' ALA . 18.4 Cg_endo -74.99 104.48 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.562 1.822 . . . . 0.0 111.043 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' TYR . . . . . 0.626 ' O ' HG23 ' A' ' 148' ' ' VAL . 0.5 OUTLIER -55.75 -62.99 1.32 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 111.032 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' HIS . . . . . 0.419 ' CD2' ' C ' ' A' ' 145' ' ' HIS . 1.2 t-160 -45.26 -44.95 11.7 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.57 1.169 . . . . 0.0 109.64 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.558 ' HB3' ' HB2' ' A' ' 143' ' ' PRO . . . -63.32 -50.88 68.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 138' ' ' GLN . 9.8 t80 -53.38 -38.75 63.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 110.928 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.884 ' CG1' HD21 ' A' ' 195' ' ' LEU . 47.0 t -64.6 -58.46 7.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -48.13 -41.69 27.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 153' ' ' ILE . 0.4 OUTLIER -68.42 -58.64 4.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.277 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.826 ' O ' HD12 ' A' ' 155' ' ' LEU . 0.2 OUTLIER -39.37 -32.76 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . 0.413 ' N ' ' C ' ' A' ' 150' ' ' ARG . 2.5 t30 -72.79 -53.99 10.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . 0.436 ' N ' ' O ' ' A' ' 150' ' ' ARG . 4.2 mt -59.74 -64.72 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.345 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -42.18 -37.19 1.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 0.826 HD12 ' O ' ' A' ' 151' ' ' LEU . 4.1 mt -64.2 -65.58 0.66 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -49.06 -23.48 1.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.284 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.39 -25.99 68.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -148.52 43.34 0.81 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.483 1.115 . . . . 0.0 111.029 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.708 HD12 ' HB2' ' A' ' 165' ' ' LYS . 0.4 OUTLIER -126.05 103.67 26.67 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.497 0.763 . . . . 0.0 109.348 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 141.31 26.29 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.483 1.781 . . . . 0.0 110.993 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -50.29 -28.11 7.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.363 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -60.95 -22.82 60.7 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.457 1.098 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' THR . . . . . 0.424 HG23 ' HD2' ' A' ' 164' ' ' PRO . 0.9 OUTLIER -118.71 141.84 30.66 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.513 0.772 . . . . 0.0 110.409 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 164' ' ' PRO . . . . . 0.424 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.6 Cg_endo -74.95 143.8 29.68 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.468 1.773 . . . . 0.0 110.975 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 165' ' ' LYS . . . . . 0.708 ' HB2' HD12 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -117.44 -37.38 3.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . 0.51 ' N ' ' CD ' ' A' ' 167' ' ' PRO . 0.3 OUTLIER -41.54 -51.5 8.82 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.345 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 167' ' ' PRO . . . . . 0.51 ' CD ' ' N ' ' A' ' 166' ' ' ASP . 18.3 Cg_endo -75.03 -48.58 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.543 1.812 . . . . 0.0 110.995 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 168' ' ' ILE . . . . . 0.728 HG23 HD12 ' A' ' 172' ' ' LEU . 0.0 OUTLIER -50.52 -33.38 11.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 169' ' ' LEU . . . . . 0.842 ' CD2' HD22 ' A' ' 195' ' ' LEU . 34.5 tp -62.24 -66.51 0.53 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 24.2 ptt85 -54.83 -36.15 64.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.347 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 171' ' ' SER . . . . . 0.4 ' O ' ' OG ' ' A' ' 175' ' ' SER . 0.2 OUTLIER -69.79 -23.65 63.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.999 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.741 ' HB3' HD11 ' A' ' 151' ' ' LEU . 3.9 mt -84.29 -48.91 9.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 173' ' ' ALA . . . . . 0.907 ' O ' ' HB2' ' A' ' 177' ' ' ALA . . . -63.68 -13.14 40.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -103.7 -51.41 3.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 171' ' ' SER . 93.7 p -66.05 -36.3 82.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.018 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 176' ' ' ASN . . . . . 0.564 ' CG ' HD23 ' A' ' 137' ' ' LEU . 69.5 m-20 -113.15 61.09 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.359 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 177' ' ' ALA . . . . . 0.907 ' HB2' ' O ' ' A' ' 173' ' ' ALA . . . -129.23 138.69 51.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 178' ' ' ASN . . . . . 0.442 ' OD1' ' NE2' ' A' ' 138' ' ' GLN . 2.6 p-10 -52.14 -176.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.35 -55.32 5.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -52.7 -27.84 19.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.162 . . . . 0.0 110.291 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 181' ' ' CYS . . . . . 0.73 ' SG ' ' HB1' ' A' ' 177' ' ' ALA . 9.0 t -77.85 -65.53 0.96 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.55 1.156 . . . . 0.0 108.273 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . 0.455 ' O ' ' CG ' ' A' ' 186' ' ' GLN . 0.0 OUTLIER -47.79 -35.3 9.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.101 . . . . 0.0 110.254 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 183' ' ' LYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 187' ' ' ALA . 6.4 ttpt -70.53 -33.55 71.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.373 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.61 HD23 ' HG3' ' A' ' 188' ' ' ARG . 4.2 tt -68.04 -56.42 8.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 185' ' ' LEU . . . . . 0.711 HD23 ' NE2' ' A' ' 190' ' ' HIS . 9.7 mt -53.87 -58.16 8.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 186' ' ' GLN . . . . . 0.942 ' OE1' HG21 ' A' ' 191' ' ' THR . 4.5 mm100 -53.41 -53.41 51.59 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.479 1.112 . . . . 0.0 110.341 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 187' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 183' ' ' LYS . . . -53.04 -46.96 68.7 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.633 1.208 . . . . 0.0 109.309 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 188' ' ' ARG . . . . . 0.61 ' HG3' HD23 ' A' ' 184' ' ' LEU . 0.0 OUTLIER -59.87 -28.12 67.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 110.338 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 71.62 54.41 8.62 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.472 1.107 . . . . 0.0 111.032 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 190' ' ' HIS . . . . . 0.711 ' NE2' HD23 ' A' ' 185' ' ' LEU . 2.2 p80 -153.89 36.0 0.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 0.764 . . . . 0.0 109.584 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 191' ' ' THR . . . . . 0.942 HG21 ' OE1' ' A' ' 186' ' ' GLN . 1.3 p -61.58 -49.98 74.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 110.432 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -83.08 58.41 4.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 193' ' ' SER . . . . . 0.535 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER -136.32 179.99 1.22 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.003 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . 0.535 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.1 Cg_endo -75.06 -174.96 2.14 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.494 1.786 . . . . 0.0 110.982 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 195' ' ' LEU . . . . . 0.884 HD21 ' CG1' ' A' ' 148' ' ' VAL . 14.5 tp -79.62 -40.61 28.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.416 1.072 . . . . 0.0 109.373 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -45.68 -43.92 11.83 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.467 1.105 . . . . 0.0 110.988 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 197' ' ' ASP . . . . . 0.493 ' HB3' ' CE1' ' A' ' 190' ' ' HIS . 5.8 t0 -66.38 -32.75 74.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 0.8 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 198' ' ' MET . . . . . 0.584 ' HG3' HD21 ' A' ' 185' ' ' LEU . 42.1 ttm -61.36 -45.52 94.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.96 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 199' ' ' LEU . . . . . 0.599 HD21 HG11 ' A' ' 148' ' ' VAL . 2.7 mm? -67.23 -23.59 65.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.346 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 200' ' ' ARG . . . . . 0.408 ' O ' ' CD ' ' A' ' 203' ' ' GLN . 7.3 mtp180 -84.02 -12.92 54.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.344 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -96.45 -43.21 7.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 202' ' ' CYS . . . . . . . . . . . . . 14.0 p -77.54 -15.56 59.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 108.385 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 203' ' ' GLN . . . . . 0.448 ' HG3' ' N ' ' A' ' 204' ' ' THR . 15.6 pt20 -41.72 -46.65 3.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.266 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 204' ' ' THR . . . . . 0.448 ' N ' ' HG3' ' A' ' 203' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.385 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.433 ' HE3' ' HE1' ' A' ' 48' ' ' PHE . 2.8 ttt . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.502 0.191 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' A' ' 19' ' ' ASP . 4.3 pm0 -81.17 148.26 29.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.9 tpt -46.29 -30.71 2.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 0.0 110.94 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.41 -37.21 82.64 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.567 1.167 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 16' ' ' GLN . 54.4 m-20 -63.14 -54.88 30.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.582 ' HA ' HD12 ' A' ' 23' ' ' ILE . 8.4 mt -56.7 -33.3 66.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -64.66 -53.1 52.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.03 -41.32 87.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.237 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.582 HD12 ' HA ' ' A' ' 20' ' ' LEU . 61.4 mt -56.2 -53.89 34.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.356 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.623 ' HA ' HD21 ' A' ' 62' ' ' LEU . 7.0 ttpp -54.01 -23.24 12.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.593 1.183 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -78.87 -69.96 0.53 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.608 1.193 . . . . 0.0 110.225 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.767 ' CD ' HG23 ' A' ' 40' ' ' THR . 2.7 pt-20 -48.69 -23.17 0.94 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.503 1.127 . . . . 0.0 110.249 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.851 HG23 HG21 ' A' ' 40' ' ' THR . 2.9 t -79.83 -52.83 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.566 1.166 . . . . 0.0 109.352 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.28 -31.18 8.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.956 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -63.11 -45.59 91.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 110.289 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.708 ' HB1' ' HB2' ' A' ' 36' ' ' GLN . . . -53.33 174.76 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.461 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -95.93 162.73 23.02 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.461 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.0 Cg_endo -75.05 81.54 2.2 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.488 1.783 . . . . 0.0 110.934 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 106.93 61.47 0.58 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.545 1.153 . . . . 0.0 110.967 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.69 161.09 51.17 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.403 0.708 . . . . 0.0 110.037 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 48.19 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.563 1.823 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.708 ' HB2' ' HB1' ' A' ' 30' ' ' ALA . 63.2 mm-40 -121.58 -64.77 1.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.754 ' HE1' HD13 ' A' ' 62' ' ' LEU . 2.6 t80 -47.85 -48.72 30.82 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.507 1.13 . . . . 0.0 110.934 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 10.6 tpt -55.1 -48.44 73.57 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.437 1.085 . . . . 0.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -55.06 -45.5 75.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 110.272 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.851 HG21 HG23 ' A' ' 27' ' ' VAL . 1.2 m -54.02 -32.29 53.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.361 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.776 HG22 HD21 ' A' ' 118' ' ' LEU . 3.1 mm -66.53 -56.18 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.431 ' CD ' HD13 ' A' ' 118' ' ' LEU . 0.1 OUTLIER -55.76 -34.85 65.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.327 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.22 -51.58 67.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.402 1.063 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.88 -36.57 83.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.458 HG22 ' HD2' ' A' ' 50' ' ' PRO . 1.4 t -67.85 -30.87 49.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -88.64 -6.64 57.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -84.4 -74.73 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.322 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.433 ' HE1' ' HE3' ' A' ' 15' ' ' MET . 1.2 p90 -114.94 -18.95 11.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 68.85 97.87 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.42 1.075 . . . . 0.0 109.395 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.458 ' HD2' HG22 ' A' ' 45' ' ' VAL . 18.2 Cg_endo -74.97 123.66 8.06 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.499 1.789 . . . . 0.0 111.014 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 42.3 p -55.27 -169.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.396 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.42 -44.64 74.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.431 ' HD3' ' N ' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -60.21 -40.91 91.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.353 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.431 ' N ' ' HD3' ' A' ' 53' ' ' LYS . 87.0 m-20 -65.22 -36.43 84.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.354 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 1.106 HD13 ' CG ' ' A' ' 117' ' ' TRP . 22.1 mt -69.43 -46.32 67.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -51.25 -50.35 59.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.589 1.18 . . . . 0.0 110.339 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.418 ' C ' ' N ' ' A' ' 59' ' ' LEU . 0.3 OUTLIER -70.56 -55.18 9.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.446 HD13 HD23 ' A' ' 20' ' ' LEU . 20.1 tp -45.42 -26.04 0.5 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.42 HD11 ' HA ' ' A' ' 68' ' ' ALA . 30.6 tp -75.89 -53.04 9.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -87.58 22.36 2.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 110.32 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.501 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 28.1 t80 -120.58 -34.97 3.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 110.986 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.754 HD13 ' HE1' ' A' ' 37' ' ' PHE . 2.1 mt -95.45 -63.16 1.19 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.333 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.498 ' SG ' HG12 ' A' ' 67' ' ' VAL . 16.5 p -86.46 170.75 11.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.564 1.165 . . . . 0.0 108.355 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.5 m -81.54 -177.94 6.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.018 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 32.7 t -66.54 -37.7 85.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 110.017 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.46 ' C ' HD12 ' A' ' 66' ' ' LEU . 1.6 tp -51.62 -68.18 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.511 ' HA ' HD12 ' A' ' 70' ' ' LEU . 2.4 t -52.05 -52.33 24.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.4 1.063 . . . . 0.0 109.281 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.42 ' HA ' HD11 ' A' ' 59' ' ' LEU . . . -44.32 -41.41 6.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.3 t -71.01 -41.33 71.04 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.461 1.1 . . . . 0.0 109.947 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 67' ' ' VAL . 52.6 mt -58.39 -50.03 75.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.229 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.455 ' CE1' ' HB3' ' A' ' 120' ' ' ALA . 0.9 OUTLIER -61.59 -42.83 99.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.598 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.31 -23.85 25.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.56 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -80.02 -71.23 0.47 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.352 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.796 ' OE1' ' HB3' ' A' ' 123' ' ' ALA . 1.7 pt20 -49.03 -41.09 33.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.337 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.567 HD23 ' HB2' ' A' ' 120' ' ' ALA . 1.3 tm? -62.89 -52.15 64.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -44.93 -35.54 2.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.16 . . . . 0.0 109.317 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.7 t -66.49 -45.32 80.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 110.024 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.732 ' HB3' HD12 ' A' ' 116' ' ' LEU . 11.0 mp -49.91 -51.77 38.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.684 HD12 HD11 ' A' ' 116' ' ' LEU . 1.2 mp -52.2 -54.76 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.086 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.408 ' O ' ' CB ' ' A' ' 84' ' ' THR . 0.2 OUTLIER -41.6 -31.9 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.0 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -76.61 -46.42 26.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.291 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.888 ' HB1' HG12 ' A' ' 87' ' ' ILE . . . -62.24 -66.05 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -46.07 -38.28 7.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.337 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.408 ' CB ' ' O ' ' A' ' 80' ' ' SER . 1.4 m -62.55 -48.72 78.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.431 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.94 -3.9 28.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 84.02 -11.75 56.23 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.502 1.126 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.888 HG12 ' HB1' ' A' ' 82' ' ' ALA . 66.1 mt 63.9 157.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.552 0.795 . . . . 0.0 109.256 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.2 t -42.32 -47.93 4.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 110.372 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -169.97 53.73 0.2 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.432 1.082 . . . . 0.0 111.034 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.637 ' CG ' HD12 ' A' ' 87' ' ' ILE . 30.4 t80 -78.42 154.43 30.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 0.786 . . . . 0.0 110.982 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -112.87 95.53 34.09 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.165 0 O-C-N 124.492 1.786 . . . . 0.0 111.012 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.473 ' HB2' ' CG2' ' A' ' 99' ' ' VAL . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.883 0 N-CA-C 110.982 -0.43 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.476 ' CD2' HG12 ' A' ' 79' ' ' ILE . 47.6 tp -120.04 -52.46 2.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.248 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.96 -25.18 27.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.221 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.473 ' CG2' ' HB2' ' A' ' 96' ' ' PRO . 84.0 t -65.83 -43.66 93.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.425 ' HA ' ' ND2' ' A' ' 103' ' ' ASN . 23.5 mp0 -74.99 -9.98 59.04 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.494 1.121 . . . . 0.0 110.351 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -114.89 15.21 17.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 56.3 m-20 -121.83 -0.75 9.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.449 1.093 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.425 ' ND2' ' HA ' ' A' ' 100' ' ' GLN . 10.8 p30 -105.23 124.22 37.19 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.358 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 48.92 2.11 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.437 1.756 . . . . 0.0 110.961 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -121.78 -56.71 1.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.418 ' NE2' ' HB2' ' A' ' 109' ' ' LEU . 3.9 pt20 -98.11 95.83 7.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 110.358 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -75.2 -7.68 54.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.257 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -59.95 -57.97 16.58 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.53 1.144 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.418 ' HB2' ' NE2' ' A' ' 106' ' ' GLN . 1.3 mt -81.19 -31.58 33.92 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 0.767 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.2 ttp85 -56.42 -50.6 71.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -70.37 -44.15 68.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 110.277 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -54.29 -44.83 72.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.236 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.455 ' CD1' HD12 ' A' ' 55' ' ' LEU . 7.4 t80 -61.78 -43.64 98.45 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.563 1.165 . . . . 0.0 111.039 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.56 -44.37 62.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.271 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 118' ' ' LEU . 0.8 OUTLIER -78.01 -62.59 1.62 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 0.0 110.36 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.732 HD12 ' HB3' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -40.4 -33.5 0.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.366 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 1.106 ' CG ' HD13 ' A' ' 55' ' ' LEU . 65.7 t90 -72.31 -55.58 6.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 107.975 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.776 HD21 HG22 ' A' ' 41' ' ' ILE . 52.6 mt -51.0 -31.92 19.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.406 1.066 . . . . 0.0 109.238 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.69 -60.87 3.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.243 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.567 ' HB2' HD23 ' A' ' 75' ' ' LEU . . . -56.52 -29.37 61.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -76.58 -18.3 58.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.153 . . . . 0.0 111.088 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -109.14 3.95 22.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.28 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.796 ' HB3' ' OE1' ' A' ' 74' ' ' GLN . . . -95.8 -1.87 48.76 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.258 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 83.6 mt -69.02 147.72 97.75 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.368 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.195 0 O-C-N 124.467 1.772 . . . . 0.0 111.006 -179.956 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . 0.605 ' HG2' ' HB2' ' A' ' 134' ' ' ALA . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.902 0 N-CA-C 111.012 -0.418 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.41 -32.18 64.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.976 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.767 ' HA ' HD12 ' A' ' 136' ' ' ILE . 18.1 p-90 -74.63 -10.58 59.68 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.605 ' HB2' ' HG2' ' A' ' 131' ' ' PRO . . . -66.18 -11.06 47.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 109.238 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 26.4 t -133.59 33.51 3.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.005 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.767 HD12 ' HA ' ' A' ' 133' ' ' TRP . 60.7 mt -118.42 118.17 57.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.573 1.171 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.23 166.28 23.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . 0.548 ' HG3' ' CD1' ' A' ' 144' ' ' TYR . 10.7 tm0? -87.8 113.27 23.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -70.46 154.13 52.21 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.681 HD23 HD22 ' A' ' 178' ' ' ASN . 2.0 tm? -61.82 -39.48 91.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 0.763 . . . . 0.0 109.355 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -112.02 40.19 2.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 110.283 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -125.29 158.04 65.36 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.32 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . 0.4 ' HB2' ' HB3' ' A' ' 146' ' ' ALA . 18.1 Cg_endo -75.1 96.19 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.502 1.79 . . . . 0.0 110.972 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' TYR . . . . . 0.959 ' O ' HG23 ' A' ' 148' ' ' VAL . 4.1 t80 -60.63 -44.39 96.41 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.444 1.09 . . . . 0.0 111.002 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' HIS . . . . . 0.494 ' HA ' ' CD1' ' A' ' 199' ' ' LEU . 0.4 OUTLIER -55.08 -57.82 10.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 109.501 -179.915 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.4 ' HB3' ' HB2' ' A' ' 143' ' ' PRO . . . -56.01 -47.42 77.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.58 -43.56 62.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 111.062 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.959 HG23 ' O ' ' A' ' 144' ' ' TYR . 47.8 t -57.25 -44.31 83.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.616 1.197 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -56.79 -58.34 8.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.327 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.88 -47.87 79.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.36 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.602 ' O ' HD12 ' A' ' 155' ' ' LEU . 1.1 mt -43.71 -42.31 5.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -63.63 -47.98 79.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 4.4 mt -62.64 -69.36 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.446 1.091 . . . . 0.0 109.335 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -41.31 -31.71 0.25 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 0.602 HD12 ' O ' ' A' ' 151' ' ' LEU . 7.1 mt -69.69 -60.77 2.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -50.15 -22.65 1.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -75.07 -29.81 60.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . 0.591 ' O ' HD22 ' A' ' 159' ' ' LEU . . . -129.76 41.09 1.59 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.538 1.148 . . . . 0.0 111.05 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.591 HD22 ' O ' ' A' ' 158' ' ' GLY . 0.6 OUTLIER -133.49 119.73 15.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.428 0.722 . . . . 0.0 109.295 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -170.38 0.77 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.593 1.838 . . . . 0.0 111.059 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -91.0 -30.45 16.8 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.459 1.099 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -99.15 48.92 1.26 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.536 1.147 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' THR . . . . . 0.496 HG23 ' HD2' ' A' ' 164' ' ' PRO . 1.3 m -149.23 140.23 14.05 Favored Pre-proline 0 C--N 1.324 -0.541 0 O-C-N 124.489 0.758 . . . . 0.0 110.427 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 164' ' ' PRO . . . . . 0.496 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.2 Cg_endo -75.04 131.69 14.53 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 165' ' ' LYS . . . . . 0.585 ' HB2' HD12 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -120.67 -39.97 2.7 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.575 1.172 . . . . 0.0 109.326 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . 0.52 ' CB ' ' HD3' ' A' ' 167' ' ' PRO . 0.4 OUTLIER -40.99 -53.64 6.07 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.259 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 167' ' ' PRO . . . . . 0.52 ' HD3' ' CB ' ' A' ' 166' ' ' ASP . 18.2 Cg_endo -74.97 -45.9 0.26 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.584 1.833 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 168' ' ' ILE . . . . . 0.485 HG22 ' N ' ' A' ' 169' ' ' LEU . 0.0 OUTLIER -49.61 -52.83 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 169' ' ' LEU . . . . . 0.485 ' N ' HG22 ' A' ' 168' ' ' ILE . 47.9 tp -52.36 -54.24 34.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . 0.49 ' HG3' HD13 ' A' ' 195' ' ' LEU . 0.6 OUTLIER -61.96 -14.62 36.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.3 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 171' ' ' SER . . . . . 0.52 ' O ' ' CB ' ' A' ' 175' ' ' SER . 0.3 OUTLIER -83.46 -35.24 25.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.58 1.175 . . . . 0.0 110.013 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.575 HD21 ' CE3' ' A' ' 133' ' ' TRP . 1.5 mt -84.51 -16.02 43.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 173' ' ' ALA . . . . . 0.539 ' O ' ' HB2' ' A' ' 177' ' ' ALA . . . -94.22 -29.35 15.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 174' ' ' TYR . . . . . 0.732 ' CD2' HD13 ' A' ' 185' ' ' LEU . 12.0 t80 -110.54 -64.49 1.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.986 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 171' ' ' SER . 0.1 OUTLIER -52.7 -20.74 3.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 110.029 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -126.06 60.59 1.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 177' ' ' ALA . . . . . 0.539 ' HB2' ' O ' ' A' ' 173' ' ' ALA . . . -132.53 143.14 49.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 178' ' ' ASN . . . . . 0.681 HD22 HD23 ' A' ' 140' ' ' LEU . 0.8 OUTLIER -54.15 -172.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.087 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -72.82 -68.52 0.48 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . 0.557 ' HB2' HD21 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -43.09 -34.91 1.15 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.338 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 181' ' ' CYS . . . . . 0.471 ' SG ' ' HB1' ' A' ' 177' ' ' ALA . 15.6 t -65.92 -67.03 0.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 108.328 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . 0.45 ' O ' ' NE2' ' A' ' 186' ' ' GLN . 1.4 tt0 -53.28 -41.34 65.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.338 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.69 -37.13 85.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.252 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.697 ' C ' HD23 ' A' ' 184' ' ' LEU . 3.6 tt -61.09 -60.86 3.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.59 1.181 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 185' ' ' LEU . . . . . 0.732 HD13 ' CD2' ' A' ' 174' ' ' TYR . 6.5 mt -42.79 -42.2 3.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 186' ' ' GLN . . . . . 0.45 ' NE2' ' O ' ' A' ' 182' ' ' GLN . 0.8 OUTLIER -67.37 -59.55 3.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.273 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -50.2 -39.5 44.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 188' ' ' ARG . . . . . 0.425 ' NH1' ' HA ' ' A' ' 188' ' ' ARG . 0.0 OUTLIER -54.46 -53.66 51.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.219 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 114.12 34.33 1.66 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.498 1.123 . . . . 0.0 110.984 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 190' ' ' HIS . . . . . 0.488 ' O ' ' ND1' ' A' ' 190' ' ' HIS . 0.0 OUTLIER -167.54 118.3 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 0.798 . . . . 0.0 109.56 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 1.9 p -120.97 -52.04 2.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 110.386 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -88.6 45.94 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 193' ' ' SER . . . . . 0.514 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER -109.44 178.93 0.92 Allowed Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.46 1.1 . . . . 0.0 110.03 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . 0.514 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.1 Cg_endo -75.06 154.75 42.43 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.581 1.832 . . . . 0.0 110.935 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 195' ' ' LEU . . . . . 0.49 HD13 ' HG3' ' A' ' 170' ' ' ARG . 3.3 tp -50.58 -48.3 57.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.538 1.149 . . . . 0.0 109.357 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -43.51 -35.81 3.02 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.525 1.141 . . . . 0.0 111.021 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.19 -38.44 27.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 0.79 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 198' ' ' MET . . . . . 0.556 ' SD ' HD21 ' A' ' 185' ' ' LEU . 17.1 mmm -61.22 -39.17 89.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 110.96 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 199' ' ' LEU . . . . . 0.849 HD21 HG11 ' A' ' 148' ' ' VAL . 3.5 mm? -75.28 -30.14 60.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.404 1.065 . . . . 0.0 109.352 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 33.8 ttm180 -79.77 -6.54 57.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -95.99 -33.77 12.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.137 . . . . 0.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 202' ' ' CYS . . . . . . . . . . . . . 29.7 p -90.76 -16.78 27.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.165 . . . . 0.0 108.323 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -48.42 -23.19 0.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.427 1.079 . . . . 0.0 110.325 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.457 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.59 ' HE3' HD23 ' A' ' 20' ' ' LEU . 1.8 tpt . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.514 0.197 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -96.01 170.37 9.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 110.33 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.8 tpt -54.12 -39.32 66.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 111.014 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.7 ttpt -59.34 -45.35 91.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -57.18 -55.94 28.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.772 ' HA ' HD12 ' A' ' 23' ' ' ILE . 26.0 mt -51.67 -40.12 59.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.245 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -60.99 -54.92 39.05 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.47 1.106 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.34 -39.83 64.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.772 HD12 ' HA ' ' A' ' 20' ' ' LEU . 66.9 mt -57.37 -62.46 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.4 tttm -42.07 -32.33 0.45 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -72.38 -72.3 0.24 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 110.327 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.641 ' HG3' HG21 ' A' ' 40' ' ' THR . 8.8 pt-20 -45.5 -25.62 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 110.325 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.1 t -76.82 -46.86 29.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.575 1.172 . . . . 0.0 109.334 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.5 t -46.86 -39.75 12.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.933 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -59.66 -38.39 81.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.472 ' CB ' ' HB3' ' A' ' 36' ' ' GLN . . . -68.96 177.37 2.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.436 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -129.22 162.04 54.8 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.436 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.3 Cg_endo -75.06 63.27 6.03 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.452 1.764 . . . . 0.0 110.97 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 162.87 -33.04 0.3 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.17 142.23 92.54 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.464 0.743 . . . . 0.0 110.005 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 50.96 2.67 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.497 1.788 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.472 ' HB3' ' CB ' ' A' ' 30' ' ' ALA . 13.2 tp60 -120.89 -38.91 2.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.52 ' CE1' HD11 ' A' ' 41' ' ' ILE . 2.7 t80 -64.47 -64.72 0.81 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.449 1.093 . . . . 0.0 110.973 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 10.1 tpt -49.13 -46.4 44.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.102 . . . . 0.0 110.993 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -52.15 -43.71 64.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.108 . . . . 0.0 110.295 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.641 HG21 ' HG3' ' A' ' 26' ' ' GLU . 1.2 m -61.6 -27.17 68.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.357 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.697 HG22 HD21 ' A' ' 118' ' ' LEU . 5.7 mm -74.77 -33.07 29.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.533 ' HD2' HD13 ' A' ' 118' ' ' LEU . 17.9 mmm-85 -79.23 -25.3 42.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.375 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.25 -38.62 35.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.426 1.079 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.81 -41.04 79.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.426 1.079 . . . . 0.0 109.314 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.573 HG11 HD11 ' A' ' 118' ' ' LEU . 0.5 OUTLIER -68.86 -33.59 60.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.425 1.078 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -89.04 -0.45 57.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.592 1.183 . . . . 0.0 110.312 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -89.87 -70.33 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 0.0 110.334 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.579 ' CE1' ' SD ' ' A' ' 15' ' ' MET . 3.9 p90 -114.52 -23.8 9.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.603 1.189 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 72.61 93.21 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.402 ' HB2' ' CB ' ' A' ' 54' ' ' ASP . 18.4 Cg_endo -75.03 131.11 13.89 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.533 1.807 . . . . 0.0 111.048 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.444 ' N ' ' OD2' ' A' ' 54' ' ' ASP . 7.2 p -57.32 -168.23 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 110.48 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.01 -47.46 51.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.419 ' HG2' ' N ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -61.53 -31.38 71.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.113 . . . . 0.0 109.252 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.444 ' OD2' ' N ' ' A' ' 51' ' ' THR . 93.8 m-20 -66.96 -41.77 86.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 1.007 HD13 ' CG ' ' A' ' 117' ' ' TRP . 37.4 mt -61.65 -40.72 95.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.37 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' A' ' 56' ' ' GLN . 4.3 tp60 -57.23 -53.19 60.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.413 ' N ' ' HG3' ' A' ' 56' ' ' GLN . 66.6 t0 -64.51 -38.49 91.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.485 ' HB2' HD21 ' A' ' 20' ' ' LEU . 16.4 tp -64.57 -24.39 67.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.255 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.507 HD12 ' HB2' ' A' ' 63' ' ' CYS . 19.8 tp -70.98 -54.45 11.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.224 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -6.92 32.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 110.305 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -81.5 -54.21 5.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.972 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.8 mt -106.83 -61.56 1.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.507 ' HB2' HD12 ' A' ' 59' ' ' LEU . 4.0 m -52.23 117.0 2.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 108.28 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.43 ' O ' ' CB ' ' A' ' 68' ' ' ALA . 0.5 OUTLIER -57.46 -179.82 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 110.003 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.46 -50.96 67.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 109.995 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.598 HD11 HD11 ' A' ' 70' ' ' LEU . 3.7 tp -64.74 -55.89 17.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.561 HG13 HD13 ' A' ' 124' ' ' LEU . 2.4 t -51.57 -47.32 37.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 64' ' ' SER . . . -54.46 -39.59 67.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.352 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.0 m -63.16 -60.33 3.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.998 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.598 HD11 HD11 ' A' ' 66' ' ' LEU . 6.6 mt -51.08 -43.04 60.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.596 1.185 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.738 ' CE1' ' HB3' ' A' ' 120' ' ' ALA . 8.7 t-80 -60.49 -39.0 86.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.614 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -25.28 68.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.552 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -74.41 -54.68 7.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.271 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.493 ' O ' HD13 ' A' ' 78' ' ' LEU . 2.9 mt-30 -53.72 -22.38 9.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.427 1.08 . . . . 0.0 110.27 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.981 ' CD1' HD21 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -82.09 -60.28 2.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.376 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -40.51 -37.08 0.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.02 -45.53 26.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.008 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.703 ' HB3' HD12 ' A' ' 116' ' ' LEU . 1.3 mp -56.37 -59.91 4.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.363 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.588 HG12 HD22 ' A' ' 97' ' ' LEU . 1.4 mt -48.26 -50.58 11.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.415 1.072 . . . . 0.0 109.33 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.421 ' HA ' ' CG ' ' A' ' 83' ' ' GLU . 3.9 t -46.75 -32.14 3.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.96 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -69.55 -42.68 74.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.439 1.087 . . . . 0.0 110.271 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.905 ' HB1' HG12 ' A' ' 87' ' ' ILE . . . -67.0 -64.65 0.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.264 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.421 ' CG ' ' HA ' ' A' ' 80' ' ' SER . 0.0 OUTLIER -48.3 -27.37 2.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.341 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.2 m -69.39 -40.96 77.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.429 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -83.45 0.1 47.75 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.5 1.125 . . . . 0.0 110.267 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 84.58 -8.15 70.05 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.905 HG12 ' HB1' ' A' ' 82' ' ' ALA . 84.7 mt 60.14 152.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 109.34 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.725 HG23 ' H ' ' A' ' 89' ' ' GLY . 0.0 OUTLIER -43.1 -65.96 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.373 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.725 ' H ' HG23 ' A' ' 88' ' ' THR . . . -146.25 57.46 0.51 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.497 ' CE1' HD12 ' A' ' 97' ' ' LEU . 58.2 t80 -79.35 158.91 27.35 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.505 0.768 . . . . 0.0 111.027 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -113.72 93.91 30.58 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.26 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.419 ' HA ' ' CE2' ' A' ' 90' ' ' TYR . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.121 0 O-C-N 124.563 1.823 . . . . 0.0 110.963 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.492 ' HB2' ' CG2' ' A' ' 99' ' ' VAL . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.851 0 N-CA-C 110.978 -0.432 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.588 HD22 HG12 ' A' ' 79' ' ' ILE . 2.5 tp -121.04 -50.29 2.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -22.62 66.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.143 . . . . 0.0 110.335 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.492 ' CG2' ' HB2' ' A' ' 96' ' ' PRO . 61.4 t -69.87 -58.62 5.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.474 ' OE1' ' CD1' ' A' ' 90' ' ' TYR . 7.5 pt20 -70.17 -21.84 63.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.259 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -75.85 -4.41 40.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -97.55 -1.54 43.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.389 1.055 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.417 ' OD1' ' N ' ' A' ' 103' ' ' ASN . 0.7 OUTLIER -94.67 142.55 24.89 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -28.46 9.11 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.471 1.774 . . . . 0.0 111.022 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -50.72 -49.14 58.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.581 1.176 . . . . 0.0 110.316 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.4 ' O ' ' OE1' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -94.03 40.2 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 110.284 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -47.76 -23.71 0.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.332 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.04 -58.13 13.06 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.894 HD11 HG21 ' A' ' 87' ' ' ILE . 0.5 OUTLIER -58.55 -43.88 89.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 0.748 . . . . 0.0 109.335 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -45.34 -43.93 11.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.452 ' O ' ' CG ' ' A' ' 114' ' ' GLN . 0.5 OUTLIER -65.46 -52.58 52.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 110.379 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -45.22 -31.15 1.4 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.451 ' CD1' HD12 ' A' ' 55' ' ' LEU . 1.1 t80 -74.52 -41.46 60.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.494 ' HG3' ' N ' ' A' ' 115' ' ' GLN . 0.9 OUTLIER -61.04 -24.6 66.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.494 ' N ' ' HG3' ' A' ' 114' ' ' GLN . 0.0 OUTLIER -90.06 -59.05 2.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.354 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 1.037 HD23 ' N ' ' A' ' 117' ' ' TRP . 0.0 OUTLIER -52.08 -32.58 35.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.596 1.185 . . . . 0.0 109.318 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 1.037 ' N ' HD23 ' A' ' 116' ' ' LEU . 73.8 t90 -73.34 -66.67 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 108.05 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.697 HD21 HG22 ' A' ' 41' ' ' ILE . 21.0 mt -42.51 -34.5 0.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.59 -63.93 1.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.738 ' HB3' ' CE1' ' A' ' 71' ' ' HIS . . . -55.11 -24.89 28.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.713 ' CE2' ' CH2' ' A' ' 117' ' ' TRP . 2.1 t80 -75.13 -19.5 59.87 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -112.36 3.29 16.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.226 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -92.03 -3.33 55.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.561 HD13 HG13 ' A' ' 67' ' ' VAL . 76.6 mt -72.94 152.74 90.98 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.19 0 O-C-N 124.43 1.753 . . . . 0.0 111.0 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . 0.829 ' HG2' ' HB2' ' A' ' 134' ' ' ALA . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.914 0 N-CA-C 110.998 -0.424 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.74 -23.01 56.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.036 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.615 ' HA ' HD12 ' A' ' 136' ' ' ILE . 38.2 p-90 -76.38 -20.93 56.68 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.559 1.162 . . . . 0.0 107.993 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.829 ' HB2' ' HG2' ' A' ' 131' ' ' PRO . . . -68.28 -9.21 45.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.385 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.36 27.4 8.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 0.0 109.956 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.615 HD12 ' HA ' ' A' ' 133' ' ' TRP . 5.3 mt -121.73 120.67 62.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 109.255 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.547 HD23 ' CB ' ' A' ' 176' ' ' ASN . 0.8 OUTLIER -135.77 165.9 24.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 109.363 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . 0.417 ' OE1' ' CB ' ' A' ' 181' ' ' CYS . 1.5 tt0 -104.07 114.21 28.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.319 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -72.44 166.96 53.71 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.449 1.093 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.743 HD13 ' O ' ' A' ' 140' ' ' LEU . 1.7 tm? -62.48 -40.82 97.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 0.75 . . . . 0.0 109.326 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -109.81 39.96 2.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -115.02 150.51 44.33 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 110.358 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . 0.622 ' HB2' ' HB3' ' A' ' 146' ' ' ALA . 18.4 Cg_endo -75.02 92.76 0.97 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.568 1.825 . . . . 0.0 111.024 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' TYR . . . . . 0.648 ' O ' HG23 ' A' ' 148' ' ' VAL . 15.3 t80 -57.66 -54.64 44.63 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.409 1.068 . . . . 0.0 110.986 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -48.3 -49.55 33.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.603 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.622 ' HB3' ' HB2' ' A' ' 143' ' ' PRO . . . -65.11 -36.41 84.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . 0.406 ' CZ ' ' O ' ' A' ' 137' ' ' LEU . 0.1 OUTLIER -67.66 -41.86 83.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.73 HG11 HD21 ' A' ' 199' ' ' LEU . 91.5 t -55.55 -45.75 78.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.362 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.09 -56.77 17.51 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 153' ' ' ILE . 1.0 OUTLIER -55.89 -56.37 21.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.265 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.821 ' O ' HD12 ' A' ' 155' ' ' LEU . 0.3 OUTLIER -39.87 -36.86 0.49 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.42 1.075 . . . . 0.0 109.338 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . 0.493 ' OD1' HD22 ' A' ' 169' ' ' LEU . 1.7 t30 -65.88 -52.46 49.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . 0.442 ' N ' ' O ' ' A' ' 150' ' ' ARG . 3.2 mt -64.4 -66.88 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 O-C-N 124.593 1.183 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 153' ' ' ILE . . . -38.47 -31.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 0.821 HD12 ' O ' ' A' ' 151' ' ' LEU . 1.8 mt -68.22 -61.81 1.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.408 1.068 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -50.96 -22.23 2.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.343 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -67.12 -24.37 65.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.595 1.184 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -145.41 39.08 1.19 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.476 1.11 . . . . 0.0 110.944 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.708 HD12 ' HB2' ' A' ' 165' ' ' LYS . 0.5 OUTLIER -123.48 109.95 30.57 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.52 0.776 . . . . 0.0 109.31 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 147.94 34.48 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.502 1.79 . . . . 0.0 111.021 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -12.84 24.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.355 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -81.24 -8.34 87.36 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.472 1.108 . . . . 0.0 110.959 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' THR . . . . . 0.516 HG23 ' HD2' ' A' ' 164' ' ' PRO . 1.2 m -129.23 141.42 41.74 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.468 0.746 . . . . 0.0 110.343 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 164' ' ' PRO . . . . . 0.516 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.1 Cg_endo -75.01 138.02 22.47 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.496 1.787 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 165' ' ' LYS . . . . . 0.708 ' HB2' HD12 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -113.04 -32.37 6.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . 0.52 ' N ' ' CD ' ' A' ' 167' ' ' PRO . 0.4 OUTLIER -43.74 -51.21 17.15 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 167' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 166' ' ' ASP . 18.2 Cg_endo -75.01 -54.45 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.446 1.761 . . . . 0.0 110.986 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 168' ' ' ILE . . . . . 0.759 HG23 HD12 ' A' ' 172' ' ' LEU . 0.0 OUTLIER -41.41 -34.67 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 169' ' ' LEU . . . . . 0.493 HD22 ' OD1' ' A' ' 152' ' ' ASN . 15.8 tp -62.25 -65.17 0.73 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.155 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . 0.591 ' HG3' HD13 ' A' ' 195' ' ' LEU . 5.6 mtp180 -55.09 -33.15 62.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.324 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 171' ' ' SER . . . . . 0.421 ' O ' ' CB ' ' A' ' 175' ' ' SER . 0.1 OUTLIER -74.8 -19.66 60.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.034 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.759 HD12 HG23 ' A' ' 168' ' ' ILE . 3.1 mt -87.8 -68.58 0.75 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.463 1.102 . . . . 0.0 109.354 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 173' ' ' ALA . . . . . 0.965 ' O ' ' HB2' ' A' ' 177' ' ' ALA . . . -42.71 -32.99 0.65 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -81.5 -59.43 2.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.598 1.186 . . . . 0.0 110.981 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 171' ' ' SER . 36.8 m -50.42 -22.32 1.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.977 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 176' ' ' ASN . . . . . 0.547 ' CB ' HD23 ' A' ' 137' ' ' LEU . 25.4 p30 -133.51 56.46 1.85 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 177' ' ' ALA . . . . . 0.965 ' HB2' ' O ' ' A' ' 173' ' ' ALA . . . -114.07 61.43 0.66 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 178' ' ' ASN . . . . . 0.511 ' OD1' ' CD2' ' A' ' 140' ' ' LEU . 1.5 t-20 39.3 -158.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.8 -15.4 14.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 0.0 109.362 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . 0.413 ' HB2' ' CD2' ' A' ' 140' ' ' LEU . 0.1 OUTLIER -96.04 -41.43 8.75 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.509 1.13 . . . . 0.0 110.347 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 181' ' ' CYS . . . . . 0.537 ' SG ' ' HB1' ' A' ' 177' ' ' ALA . 29.2 t -64.66 -55.62 18.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.392 1.058 . . . . 0.0 108.295 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -49.99 -41.79 47.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.277 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 2.9 tmmm? -64.73 -53.13 51.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.82 HD23 ' O ' ' A' ' 184' ' ' LEU . 4.3 tt -44.49 -38.72 4.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.351 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 3.0 mt -61.51 -63.79 1.16 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.542 1.151 . . . . 0.0 109.34 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 186' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.7 -51.78 46.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 110.311 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -57.99 -47.13 83.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 188' ' ' ARG . . . . . 0.408 ' HD2' ' HB1' ' A' ' 201' ' ' ALA . 1.3 tpm_? -51.24 -39.8 57.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.4 1.062 . . . . 0.0 110.267 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 100.97 48.17 1.5 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 190' ' ' HIS . . . . . 0.575 ' CE1' ' HB3' ' A' ' 197' ' ' ASP . 0.0 OUTLIER -179.52 114.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 0.739 . . . . 0.0 109.542 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 1.2 p -121.23 -50.26 2.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.427 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 192' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 193' ' ' SER . 0.7 OUTLIER -72.98 -21.75 60.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.356 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 193' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 192' ' ' ASN . 0.1 OUTLIER -42.74 165.15 0.11 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.929 -179.884 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 163.98 34.13 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.492 1.785 . . . . 0.0 110.918 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 195' ' ' LEU . . . . . 0.891 HD12 ' SD ' ' A' ' 198' ' ' MET . 1.9 tp -51.02 -44.61 61.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -42.53 -41.63 4.25 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 197' ' ' ASP . . . . . 0.575 ' HB3' ' CE1' ' A' ' 190' ' ' HIS . 0.3 OUTLIER -78.25 -41.25 34.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 0.741 . . . . 0.0 109.398 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 198' ' ' MET . . . . . 0.891 ' SD ' HD12 ' A' ' 195' ' ' LEU . 75.1 mtp -52.99 -51.57 61.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 199' ' ' LEU . . . . . 0.73 HD21 HG11 ' A' ' 148' ' ' VAL . 2.1 mm? -66.07 -32.23 73.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.94 -9.04 58.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 201' ' ' ALA . . . . . 0.408 ' HB1' ' HD2' ' A' ' 188' ' ' ARG . . . -99.82 -43.77 6.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.112 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 202' ' ' CYS . . . . . . . . . . . . . 12.5 p -78.06 -9.52 59.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 108.277 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 203' ' ' GLN . . . . . 0.431 ' HG3' ' N ' ' A' ' 204' ' ' THR . 15.0 pt20 -53.03 -44.94 67.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.468 1.105 . . . . 0.0 110.27 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 204' ' ' THR . . . . . 0.431 ' N ' ' HG3' ' A' ' 203' ' ' GLN . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.55 1.156 . . . . 0.0 110.431 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.596 ' SD ' ' CZ ' ' A' ' 48' ' ' PHE . 1.2 tpt . . . . . 0 N--CA 1.451 -0.381 0 CA-C-O 120.59 0.234 . . . . 0.0 111.055 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.7 pm0 -96.56 166.45 11.67 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.385 1.053 . . . . 0.0 110.281 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.408 ' O ' ' N ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -48.15 -40.02 22.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.969 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.8 ttpt -50.93 -48.04 60.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.25 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.437 ' OD2' ' CE2' ' A' ' 48' ' ' PHE . 4.5 m-20 -60.17 -57.13 14.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.666 ' HA ' HD12 ' A' ' 23' ' ' ILE . 11.3 mt -55.98 -25.55 44.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.313 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 17' ' ' MET . 0.3 OUTLIER -74.47 -54.59 7.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.421 1.076 . . . . 0.0 110.258 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.03 -36.58 70.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.255 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.707 HG22 HD11 ' A' ' 62' ' ' LEU . 43.0 mt -60.87 -47.63 92.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.8 ttpp -54.02 -29.85 45.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -73.2 -68.53 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.638 ' CD ' HG23 ' A' ' 40' ' ' THR . 4.0 pt-20 -50.19 -24.57 2.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.342 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.912 HG23 HG21 ' A' ' 40' ' ' THR . 5.0 t -81.12 -47.8 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.1 t -47.1 -26.33 1.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.928 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.83 -40.08 66.05 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.578 1.174 . . . . 0.0 110.343 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.465 ' CB ' ' HB3' ' A' ' 36' ' ' GLN . . . -46.46 167.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.351 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.58 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -109.86 168.0 8.29 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.58 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.3 Cg_endo -75.0 110.24 3.08 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.501 1.79 . . . . 0.0 111.067 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 72.71 49.08 19.55 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.562 1.164 . . . . 0.0 110.991 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 35.6 m -134.6 154.22 79.47 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.588 0.816 . . . . 0.0 110.042 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 51.05 2.69 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.576 1.83 . . . . 0.0 111.025 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.465 ' HB3' ' CB ' ' A' ' 30' ' ' ALA . 1.0 OUTLIER -121.25 -52.61 2.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.41 1.069 . . . . 0.0 110.333 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.472 ' CE1' HD11 ' A' ' 41' ' ' ILE . 2.2 t80 -62.47 -60.59 3.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.405 ' CE ' HD22 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -49.35 -39.54 32.18 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.479 1.112 . . . . 0.0 111.023 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -57.55 -43.45 84.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.087 . . . . 0.0 110.304 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.912 HG21 HG23 ' A' ' 27' ' ' VAL . 1.1 m -62.81 -26.26 68.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.15 . . . . 0.0 110.391 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.708 HG22 HD21 ' A' ' 118' ' ' LEU . 18.8 mm -68.45 -53.0 31.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.417 1.073 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.474 ' HD2' HD13 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -61.34 -27.73 68.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.316 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.405 ' O ' ' CG ' ' A' ' 47' ' ' GLN . 0.2 OUTLIER -67.82 -43.39 79.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.76 -38.38 83.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -67.59 -32.86 58.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 109.356 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -89.18 -5.61 57.57 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.462 1.101 . . . . 0.0 110.299 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.405 ' CG ' ' O ' ' A' ' 43' ' ' LEU . 3.2 mm-40 -85.04 -75.33 0.36 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.596 ' CZ ' ' SD ' ' A' ' 15' ' ' MET . 3.5 p90 -114.34 -10.45 12.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 111.021 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.445 ' OD1' ' NE2' ' A' ' 114' ' ' GLN . 10.9 t0 59.91 94.29 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.09 . . . . 0.0 109.285 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 159.6 41.37 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.502 1.791 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 61.2 p -94.58 -174.93 3.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.581 1.175 . . . . 0.0 110.406 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.81 -50.56 73.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.429 ' HD3' ' N ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -57.68 -37.31 73.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.429 ' N ' ' HD3' ' A' ' 53' ' ' LYS . 79.9 m-20 -70.24 -38.4 75.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.423 1.077 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.998 HD13 ' CG ' ' A' ' 117' ' ' TRP . 21.8 mt -66.63 -41.25 88.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -56.33 -55.85 28.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.095 . . . . 0.0 110.314 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -62.37 -39.74 94.16 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.4 HD12 ' O ' ' A' ' 58' ' ' LEU . 13.0 tp -59.31 -36.18 75.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.527 HD13 ' HE1' ' A' ' 121' ' ' PHE . 24.9 tp -65.94 -32.43 73.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.46 2.29 56.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.599 1.187 . . . . 0.0 110.255 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.595 ' CE1' ' O ' ' A' ' 20' ' ' LEU . 1.6 t80 -98.06 -49.98 4.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 111.055 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.707 HD11 HG22 ' A' ' 23' ' ' ILE . 42.9 mt -105.18 -59.8 1.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.454 ' CB ' HD12 ' A' ' 59' ' ' LEU . 1.7 m -55.68 137.01 50.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.105 . . . . 0.0 108.314 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.55 176.51 9.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 110.048 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 9.8 m -60.49 -61.03 2.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.999 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.463 ' O ' HD12 ' A' ' 66' ' ' LEU . 5.5 tp -51.94 -44.91 64.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.343 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.3 t -61.94 -58.19 8.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -45.27 -35.68 3.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.3 m -69.9 -50.87 38.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.021 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.44 ' O ' ' NE2' ' A' ' 74' ' ' GLN . 19.6 mt -55.77 -48.36 75.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.509 ' CD2' ' C ' ' A' ' 71' ' ' HIS . 0.1 OUTLIER -59.83 -38.14 81.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 109.606 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -57.68 -34.5 69.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.647 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -67.54 -46.52 72.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.274 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.476 ' OE1' ' HB3' ' A' ' 123' ' ' ALA . 3.9 mt-30 -65.19 -51.16 62.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 110.231 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.716 HD23 ' HB2' ' A' ' 120' ' ' ALA . 0.2 OUTLIER -53.03 -34.68 57.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.359 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -60.26 -62.44 1.87 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.67 -33.47 68.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.069 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.932 HD23 ' HG ' ' A' ' 116' ' ' LEU . 1.4 tp -62.57 -52.04 64.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.395 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.546 ' CD1' HD13 ' A' ' 75' ' ' LEU . 0.9 OUTLIER -57.46 -61.33 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.28 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.439 ' O ' ' CB ' ' A' ' 84' ' ' THR . 5.5 m -45.36 -27.11 0.63 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.957 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -73.31 -43.06 61.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.374 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.887 ' HB1' HG12 ' A' ' 87' ' ' ILE . . . -62.71 -58.75 6.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.578 1.173 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -55.44 -39.47 70.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.276 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.439 ' CB ' ' O ' ' A' ' 80' ' ' SER . 3.2 m -64.4 -48.72 74.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 110.418 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.63 0.22 21.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 110.27 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 72.2 94.25 0.08 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.547 1.155 . . . . 0.0 111.021 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.887 HG12 ' HB1' ' A' ' 82' ' ' ALA . 48.1 mt -60.8 166.58 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.553 0.796 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.514 ' N ' HG22 ' A' ' 87' ' ' ILE . 65.5 p -47.02 -96.64 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 110.393 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.449 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -121.83 59.65 0.57 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.491 1.119 . . . . 0.0 110.939 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -81.82 147.46 29.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 111.022 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -111.41 98.27 39.49 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.574 1.171 . . . . 0.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.101 0 O-C-N 124.523 1.802 . . . . 0.0 111.035 -179.993 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.867 0 N-CA-C 110.97 -0.435 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.476 ' CD2' HG12 ' A' ' 79' ' ' ILE . 9.8 tp -120.2 -45.1 2.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.448 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 0.0 OUTLIER -65.08 -29.51 70.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 110.242 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 76.7 t -60.55 -40.49 84.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -75.91 -30.76 58.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 110.301 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -70.12 -45.7 66.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 98' ' ' ARG . 22.4 p30 -92.57 31.28 1.37 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -98.92 131.99 24.5 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 48.9 2.1 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.502 1.79 . . . . 0.0 111.03 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -154.58 -45.67 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.29 117.99 22.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -112.19 -24.97 9.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -65.78 -58.51 9.01 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.543 1.152 . . . . 0.0 111.075 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.652 ' CD1' HG21 ' A' ' 87' ' ' ILE . 0.3 OUTLIER -67.12 -45.9 75.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 0.776 . . . . 0.0 109.382 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.415 ' HG2' ' NE2' ' A' ' 114' ' ' GLN . 2.9 ttt180 -43.99 -38.72 3.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.302 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.409 ' C ' ' N ' ' A' ' 113' ' ' TYR . 6.9 mtt180 -78.03 -63.34 1.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 113' ' ' TYR . 0.0 OUTLIER -43.24 -27.08 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.331 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.471 ' HA ' HD22 ' A' ' 116' ' ' LEU . 12.8 t80 -77.57 -53.45 7.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.959 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.445 ' NE2' ' OD1' ' A' ' 49' ' ' ASP . 44.3 mt-30 -43.99 -40.67 4.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 110.358 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.15 -60.5 2.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.322 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.932 ' HG ' HD23 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -41.83 -36.27 1.0 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.998 ' CG ' HD13 ' A' ' 55' ' ' LEU . 70.2 t90 -65.94 -60.7 2.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 107.944 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.708 HD21 HG22 ' A' ' 41' ' ' ILE . 67.5 mt -49.43 -32.45 11.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 116' ' ' LEU . . . -57.1 -60.82 3.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.716 ' HB2' HD23 ' A' ' 75' ' ' LEU . . . -49.22 -47.65 46.11 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.428 1.08 . . . . 0.0 109.264 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.791 ' CE1' ' CZ2' ' A' ' 117' ' ' TRP . 1.2 m-85 -55.98 -41.28 74.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.975 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -86.59 6.74 29.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.557 1.161 . . . . 0.0 109.384 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.476 ' HB3' ' OE1' ' A' ' 74' ' ' GLN . . . -102.77 0.76 33.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 88.6 mt -76.53 151.99 83.17 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.088 0 O-C-N 124.524 1.802 . . . . 0.0 110.914 -179.934 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.91 0 N-CA-C 110.983 -0.43 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.99 -16.06 61.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.611 1.194 . . . . 0.0 110.01 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.685 ' HE3' HD21 ' A' ' 172' ' ' LEU . 42.9 p-90 -78.26 -17.17 57.03 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -80.36 2.98 22.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -117.97 14.36 14.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.045 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.549 ' CG1' ' HA ' ' A' ' 133' ' ' TRP . 2.0 mm -98.55 117.08 42.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.357 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -136.33 107.54 6.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 6.3 tm0? -60.06 109.84 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -65.5 161.47 42.43 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.483 1.114 . . . . 0.0 111.042 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.579 HD21 ' HB2' ' A' ' 180' ' ' GLU . 2.4 tm? -60.23 -41.45 93.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.761 . . . . 0.0 109.252 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -111.17 39.97 2.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -113.61 156.01 44.11 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 91.14 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.519 1.799 . . . . 0.0 110.962 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' TYR . . . . . 0.779 ' O ' HG23 ' A' ' 148' ' ' VAL . 52.9 t80 -52.75 -48.84 66.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 111.02 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' HIS . . . . . 0.416 ' CD2' ' C ' ' A' ' 145' ' ' HIS . 1.1 t-160 -52.75 -46.23 67.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.608 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -60.8 -45.42 94.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.084 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . 0.463 ' CD2' HG22 ' A' ' 136' ' ' ILE . 2.0 m-85 -55.65 -48.58 74.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.779 HG23 ' O ' ' A' ' 144' ' ' TYR . 13.8 t -53.21 -42.63 47.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.99 -57.22 13.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.336 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.03 -14.42 35.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.429 1.08 . . . . 0.0 110.342 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.497 ' HA ' HD23 ' A' ' 151' ' ' LEU . 3.2 mt -78.46 -44.71 23.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.347 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . 0.457 ' HA ' ' CE ' ' A' ' 165' ' ' LYS . 25.4 t-20 -63.84 -28.77 70.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . 0.458 ' O ' ' N ' ' A' ' 156' ' ' ASP . 4.3 mt -84.41 -58.77 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -48.98 -30.84 6.5 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.479 1.112 . . . . 0.0 109.259 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 0.639 HD22 ' HG ' ' A' ' 159' ' ' LEU . 17.6 mt -82.89 -29.91 28.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.368 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 153' ' ' ILE . 0.2 OUTLIER -71.33 -6.32 39.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 109.366 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 16.0 m-20 -117.76 -38.93 3.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -90.58 -41.27 5.46 Favored Glycine 0 CA--C 1.528 0.896 0 O-C-N 124.501 1.126 . . . . 0.0 111.039 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.66 ' CD1' HG22 ' A' ' 163' ' ' THR . 0.2 OUTLIER -79.01 114.57 45.44 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.473 0.749 . . . . 0.0 109.316 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 150.89 38.91 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.475 1.776 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -57.32 -27.39 62.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 110.263 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -65.94 -19.53 67.78 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.49 1.118 . . . . 0.0 110.994 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 163' ' ' THR . . . . . 0.66 HG22 ' CD1' ' A' ' 159' ' ' LEU . 1.3 m -115.28 141.32 26.97 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.516 0.774 . . . . 0.0 110.395 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 164' ' ' PRO . . . . . 0.529 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.3 Cg_endo -75.0 120.55 6.12 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.498 1.788 . . . . 0.0 111.056 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 165' ' ' LYS . . . . . 0.511 ' HE2' HD22 ' A' ' 169' ' ' LEU . 0.0 OUTLIER -98.01 -31.03 12.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.341 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . 0.498 ' N ' ' CD ' ' A' ' 167' ' ' PRO . 0.1 OUTLIER -40.68 -52.29 6.45 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.436 1.085 . . . . 0.0 109.288 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 167' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 166' ' ' ASP . 18.3 Cg_endo -74.96 -57.48 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.512 1.796 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 168' ' ' ILE . . . . . 0.817 HG23 HD12 ' A' ' 172' ' ' LEU . 0.0 OUTLIER -45.8 -26.02 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 169' ' ' LEU . . . . . 0.801 ' CD2' HD22 ' A' ' 195' ' ' LEU . 24.9 tp -65.62 -66.99 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.602 1.189 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . 0.415 ' HG2' ' N ' ' A' ' 171' ' ' SER . 17.9 ptt180 -57.38 -30.21 64.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 171' ' ' SER . . . . . 0.415 ' N ' ' HG2' ' A' ' 170' ' ' ARG . 0.1 OUTLIER -75.04 -25.16 58.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.085 . . . . 0.0 110.0 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.817 HD12 HG23 ' A' ' 168' ' ' ILE . 1.0 OUTLIER -80.27 -49.12 12.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 173' ' ' ALA . . . . . 0.751 ' O ' ' HB2' ' A' ' 177' ' ' ALA . . . -67.85 -14.44 62.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 174' ' ' TYR . . . . . 0.442 ' O ' ' HB3' ' A' ' 177' ' ' ALA . 17.5 t80 -97.23 -62.99 1.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 33.5 t -57.33 -55.6 32.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.991 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -84.93 52.48 2.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 177' ' ' ALA . . . . . 0.751 ' HB2' ' O ' ' A' ' 173' ' ' ALA . . . -129.44 140.44 51.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.285 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 178' ' ' ASN . . . . . 0.421 ' OD1' ' N ' ' A' ' 140' ' ' LEU . 0.7 OUTLIER -52.93 -175.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.425 1.078 . . . . 0.0 109.332 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.93 -61.5 1.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . 0.579 ' HB2' HD21 ' A' ' 140' ' ' LEU . 0.3 OUTLIER -43.54 -36.48 2.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.299 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 181' ' ' CYS . . . . . 0.424 ' O ' ' N ' ' A' ' 184' ' ' LEU . 12.2 t -69.45 -69.84 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 108.286 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -45.82 -40.92 10.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 5.0 mtpp -62.96 -38.56 91.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.257 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.471 HD23 ' O ' ' A' ' 184' ' ' LEU . 2.1 tt -59.93 -54.17 49.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 185' ' ' LEU . . . . . 0.54 ' CD2' ' NE2' ' A' ' 190' ' ' HIS . 43.7 mt -54.71 -56.65 16.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 186' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -49.94 -44.11 50.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.281 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -65.31 -25.06 67.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 109.34 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 188' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 185' ' ' LEU . 0.3 OUTLIER -87.0 -9.72 54.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.273 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 53.97 46.11 69.86 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 190' ' ' HIS . . . . . 0.553 ' CG ' ' O ' ' A' ' 190' ' ' HIS . 0.1 OUTLIER -147.03 28.35 1.02 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 0.731 . . . . 0.0 109.622 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 191' ' ' THR . . . . . 0.455 ' C ' ' O ' ' A' ' 190' ' ' HIS . 1.2 p -33.12 -49.31 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.442 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 192' ' ' ASN . . . . . 0.441 ' O ' ' O ' ' A' ' 193' ' ' SER . 12.7 m120 -83.5 -109.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.335 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 193' ' ' SER . . . . . 0.529 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.2 OUTLIER 49.01 179.52 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.944 179.931 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . 0.529 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.3 Cg_endo -74.96 170.87 19.45 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.567 1.825 . . . . 0.0 110.964 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 195' ' ' LEU . . . . . 0.801 HD22 ' CD2' ' A' ' 169' ' ' LEU . 13.3 tp -70.28 -35.95 74.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -47.46 -37.73 12.91 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.439 1.087 . . . . 0.0 111.044 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 197' ' ' ASP . . . . . 0.466 ' HB3' ' CE1' ' A' ' 190' ' ' HIS . 17.8 t0 -77.96 -36.14 49.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 0.742 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 198' ' ' MET . . . . . 0.445 ' HG3' HD12 ' A' ' 195' ' ' LEU . 75.3 mmm -54.85 -47.52 74.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 199' ' ' LEU . . . . . 0.626 HD21 HG11 ' A' ' 148' ' ' VAL . 2.3 mm? -71.76 -30.05 65.15 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.539 1.15 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.19 -5.98 47.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.342 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -102.63 -28.9 11.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 202' ' ' CYS . . . . . 0.597 ' SG ' ' CD2' ' A' ' 144' ' ' TYR . 0.1 OUTLIER -94.56 -12.0 28.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.092 . . . . 0.0 108.258 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -55.09 -18.15 5.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 110.314 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.32 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.588 ' SD ' ' CZ ' ' A' ' 48' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.526 0.203 . . . . 0.0 110.988 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.426 ' OE1' ' N ' ' A' ' 16' ' ' GLN . 15.3 pm0 -104.12 162.25 13.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 110.341 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.1 mmt -47.47 -31.03 3.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.94 -46.79 81.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 109.366 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.499 ' OD2' ' CE2' ' A' ' 48' ' ' PHE . 55.5 m-20 -60.7 -59.94 4.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.727 ' HA ' HD12 ' A' ' 23' ' ' ILE . 62.3 mt -47.19 -34.39 6.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.21 -60.19 2.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.336 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.46 -40.71 62.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.727 HD12 ' HA ' ' A' ' 20' ' ' LEU . 34.3 mt -56.37 -51.53 63.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.357 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -50.13 -31.47 13.57 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.479 1.112 . . . . 0.0 109.247 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -72.72 -72.3 0.25 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 110.241 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.488 ' CD ' HG23 ' A' ' 40' ' ' THR . 16.3 pt-20 -45.22 -30.83 1.29 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.281 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.528 HG21 HD13 ' A' ' 62' ' ' LEU . 31.4 t -74.21 -51.27 24.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -43.33 -29.72 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.022 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -68.39 -46.3 70.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.265 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.488 ' HB1' ' HB3' ' A' ' 36' ' ' GLN . . . -46.77 166.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.466 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -105.19 163.02 18.0 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.466 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.3 Cg_endo -74.95 108.89 2.82 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.484 1.781 . . . . 0.0 111.003 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.26 42.71 10.25 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 59.6 p -130.14 153.36 81.11 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.551 0.794 . . . . 0.0 110.0 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 49.57 2.28 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.488 ' HB3' ' HB1' ' A' ' 30' ' ' ALA . 1.4 tp60 -121.39 -47.11 2.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.248 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.414 ' CE1' HD11 ' A' ' 41' ' ' ILE . 2.7 t80 -61.17 -56.55 19.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 111.027 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.55 ' HE1' HD22 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -51.5 -49.18 62.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 111.07 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -49.08 -47.13 45.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.488 HG23 ' CD ' ' A' ' 26' ' ' GLU . 2.9 m -56.7 -32.06 65.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.441 1.088 . . . . 0.0 110.41 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.675 HG22 HD21 ' A' ' 118' ' ' LEU . 5.6 mm -68.34 -40.32 82.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.631 ' HD2' HD13 ' A' ' 118' ' ' LEU . 15.8 mmm180 -66.66 -22.44 66.1 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.566 1.167 . . . . 0.0 110.371 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.08 -50.42 13.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.478 ' HB1' ' CZ ' ' A' ' 48' ' ' PHE . . . -64.95 -34.89 79.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.855 HG11 HD11 ' A' ' 118' ' ' LEU . 1.2 t -72.0 -26.11 24.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.42 1.075 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -95.79 -2.45 47.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -90.84 -68.32 0.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.282 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.588 ' CZ ' ' SD ' ' A' ' 15' ' ' MET . 3.5 p90 -115.44 -30.83 6.11 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.551 1.157 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.47 ' CB ' ' O ' ' A' ' 48' ' ' PHE . 0.9 OUTLIER 79.49 96.1 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.446 1.091 . . . . 0.0 109.344 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.479 ' HD2' HG22 ' A' ' 45' ' ' VAL . 18.3 Cg_endo -74.98 123.56 7.98 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.533 1.807 . . . . 0.0 111.032 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 26.0 p -59.54 -176.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.407 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.81 -46.55 87.36 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.454 1.096 . . . . 0.0 109.255 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -56.12 26.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.598 1.186 . . . . 0.0 109.247 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -52.5 -37.3 57.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 1.142 HD13 ' CG ' ' A' ' 117' ' ' TRP . 13.8 mt -65.42 -42.35 92.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.7 -54.71 38.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.135 . . . . 0.0 110.262 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -64.82 -46.26 82.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.081 . . . . 0.0 109.252 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.433 HD13 ' CD2' ' A' ' 20' ' ' LEU . 15.9 tp -50.38 -32.83 18.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.487 HD12 ' HB2' ' A' ' 63' ' ' CYS . 32.9 tp -70.59 -42.44 71.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -83.81 7.55 17.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.255 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -101.97 -54.41 2.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 111.085 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.616 HD11 HG22 ' A' ' 23' ' ' ILE . 53.8 mt -98.19 -57.69 2.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 109.239 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.501 ' SG ' ' CG1' ' A' ' 67' ' ' VAL . 1.2 m -57.89 164.57 2.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 108.323 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.665 ' O ' ' HB2' ' A' ' 68' ' ' ALA . 15.6 m -99.03 -175.44 3.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.059 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.53 -52.62 30.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.038 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.7 tp -65.77 -55.95 14.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.438 1.086 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.501 ' CG1' ' SG ' ' A' ' 63' ' ' CYS . 1.0 OUTLIER -51.26 -40.01 22.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.314 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.665 ' HB2' ' O ' ' A' ' 64' ' ' SER . . . -57.24 -60.19 3.99 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 109.241 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.407 ' O ' ' HB2' ' A' ' 72' ' ' HIS . 58.3 p -49.67 -42.75 46.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.07 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.3 mt -51.74 -44.28 63.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.531 ' ND1' ' HB3' ' A' ' 120' ' ' ALA . 1.0 OUTLIER -70.99 -37.21 72.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.55 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.407 ' HB2' ' O ' ' A' ' 69' ' ' SER . 25.1 m80 -52.12 -44.83 64.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.592 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.2 tm0? -65.81 -56.0 14.2 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.12 . . . . 0.0 110.283 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.897 ' O ' HD22 ' A' ' 78' ' ' LEU . 43.3 mt-30 -53.61 -27.95 29.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.299 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.52 HD23 ' CB ' ' A' ' 120' ' ' ALA . 0.1 OUTLIER -70.04 -54.36 13.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -53.27 -20.95 4.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.3 m -72.88 -55.54 6.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.045 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.897 HD22 ' O ' ' A' ' 74' ' ' GLN . 0.1 OUTLIER -66.11 -47.84 72.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 109.293 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.654 HD12 ' CD2' ' A' ' 97' ' ' LEU . 29.5 mm -48.75 -38.1 9.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 0.0 109.326 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.6 t -71.78 -35.6 70.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 110.065 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -62.31 -43.44 98.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.613 1.196 . . . . 0.0 110.307 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.801 ' HB1' HG12 ' A' ' 87' ' ' ILE . . . -64.3 -63.6 1.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.257 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -49.66 -36.54 25.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 110.269 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.8 m -62.36 -44.92 95.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.429 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 6.4 mpt_? -77.8 -1.75 33.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.308 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.17 -8.97 59.23 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.596 1.185 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.801 HG12 ' HB1' ' A' ' 82' ' ' ALA . 32.8 mt 58.82 157.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 O-C-N 124.458 0.74 . . . . 0.0 109.309 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.711 HG23 ' H ' ' A' ' 89' ' ' GLY . 0.0 OUTLIER -42.34 -73.53 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.53 1.144 . . . . 0.0 110.367 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.711 ' H ' HG23 ' A' ' 88' ' ' THR . . . -139.16 57.77 0.62 Allowed Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.505 1.128 . . . . 0.0 111.056 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.494 ' HB2' HD11 ' A' ' 109' ' ' LEU . 10.2 t80 -79.49 151.31 30.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 0.767 . . . . 0.0 111.021 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.421 ' OD1' ' N ' ' A' ' 91' ' ' ASN . 0.1 OUTLIER -115.25 129.67 24.9 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.201 0 O-C-N 124.491 1.785 . . . . 0.0 110.98 -179.954 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.454 -0.823 0 N-CA-C 110.922 -0.453 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.654 ' CD2' HD12 ' A' ' 79' ' ' ILE . 12.9 tp -47.6 -44.34 26.39 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.553 1.158 . . . . 0.0 109.258 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -48.11 -41.23 25.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 110.312 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 42.6 t -66.56 -34.99 73.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -68.51 -36.28 78.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -75.39 -28.54 59.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -61.44 -24.59 66.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -84.37 129.16 58.92 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.404 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -15.56 20.78 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.494 1.786 . . . . 0.0 110.95 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -57.21 -55.59 32.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.32 62.31 4.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -55.92 -27.97 54.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.27 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -58.1 -57.13 21.42 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.583 1.177 . . . . 0.0 110.977 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.76 HD11 HG21 ' A' ' 87' ' ' ILE . 0.5 OUTLIER -71.92 -27.5 62.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 0.767 . . . . 0.0 109.357 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.18 -58.64 7.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.34 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.431 ' NH1' ' OE1' ' A' ' 115' ' ' GLN . 0.0 OUTLIER -61.02 -44.85 96.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.43 1.081 . . . . 0.0 110.308 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -54.56 -48.22 72.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 110.282 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -65.65 -43.73 88.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' A' ' 50' ' ' PRO . 19.4 mm100 -55.62 -49.45 72.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.264 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.431 ' OE1' ' NH1' ' A' ' 111' ' ' ARG . 3.8 tt0 -69.42 -47.77 63.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.459 1.1 . . . . 0.0 110.257 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.911 HD23 ' N ' ' A' ' 117' ' ' TRP . 0.2 OUTLIER -51.16 -47.37 62.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 1.142 ' CG ' HD13 ' A' ' 55' ' ' LEU . 86.1 t90 -54.35 -53.96 46.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 107.99 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.855 HD11 HG11 ' A' ' 45' ' ' VAL . 78.2 mt -55.21 -21.6 14.52 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.832 ' HB3' ' O ' ' A' ' 116' ' ' LEU . . . -68.19 -63.4 1.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.531 ' HB3' ' ND1' ' A' ' 71' ' ' HIS . . . -55.93 -31.96 63.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.404 1.065 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.798 ' CE1' ' CZ2' ' A' ' 117' ' ' TRP . 0.2 OUTLIER -63.54 -42.31 98.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 111.039 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.439 ' HB2' ' HG3' ' A' ' 38' ' ' MET . . . -93.78 6.49 48.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.625 ' HB1' ' OE1' ' A' ' 74' ' ' GLN . . . -94.66 0.12 54.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 59.0 mt -73.13 155.22 90.33 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.325 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.548 1.815 . . . . 0.0 111.021 179.97 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.454 -0.839 0 N-CA-C 110.982 -0.43 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 6.1 m -71.76 -23.88 61.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.422 1.076 . . . . 0.0 110.009 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.676 ' CD1' HD23 ' A' ' 155' ' ' LEU . 23.3 p-90 -73.69 -27.1 61.05 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.6 -13.66 54.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.345 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 24.4 m -120.96 29.39 7.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.428 1.08 . . . . 0.0 110.042 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 9.4 mt -123.01 120.87 61.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.352 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.913 HD23 ' HB3' ' A' ' 176' ' ' ASN . 0.8 OUTLIER -136.36 141.18 43.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.437 1.086 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . 0.493 ' CG ' ' HA ' ' A' ' 144' ' ' TYR . 0.2 OUTLIER -81.86 114.58 20.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . 0.451 ' N ' ' OE1' ' A' ' 138' ' ' GLN . . . -71.12 154.04 51.61 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.488 1.117 . . . . 0.0 110.948 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -64.95 -27.53 68.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 0.73 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -113.44 40.67 2.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.298 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.14 156.27 76.99 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.272 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 110.32 3.09 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.489 1.784 . . . . 0.0 111.065 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' TYR . . . . . 0.757 ' O ' HG23 ' A' ' 148' ' ' VAL . 14.1 t80 -68.71 -43.97 74.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.455 1.097 . . . . 0.0 111.032 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' HIS . . . . . 0.444 ' C ' ' CD2' ' A' ' 145' ' ' HIS . 1.1 t-160 -52.12 -54.76 26.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 109.631 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -58.56 -37.49 75.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.263 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . 0.49 ' CD2' ' HG2' ' A' ' 138' ' ' GLN . 0.2 OUTLIER -62.12 -51.38 68.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 111.019 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 144' ' ' TYR . 33.2 t -49.04 -34.82 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.353 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . 0.711 ' O ' HD12 ' A' ' 153' ' ' ILE . 23.6 tt0 -67.36 -54.73 17.95 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -34.7 72.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.579 1.175 . . . . 0.0 110.335 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.528 HD11 ' HB3' ' A' ' 172' ' ' LEU . 1.0 OUTLIER -59.28 -38.93 81.39 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 109.303 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 33.2 t-20 -65.95 -54.22 29.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . 0.711 HD12 ' O ' ' A' ' 149' ' ' GLU . 2.1 mp -52.53 -53.61 19.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -59.04 -23.18 61.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 0.676 HD23 ' CD1' ' A' ' 133' ' ' TRP . 20.2 mt -90.06 -3.74 57.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -102.22 -12.38 18.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -109.72 -12.15 14.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -123.86 -43.59 0.33 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.617 HD23 ' NE1' ' A' ' 133' ' ' TRP . 0.2 OUTLIER -79.48 114.52 46.08 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.554 0.796 . . . . 0.0 109.324 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . 0.547 ' HD2' HD13 ' A' ' 159' ' ' LEU . 18.3 Cg_endo -75.0 -178.54 4.24 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.469 1.773 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.48 -26.75 24.47 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -70.92 -13.5 72.42 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.579 1.174 . . . . 0.0 111.012 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 163' ' ' THR . . . . . 0.68 HG23 ' HD2' ' A' ' 164' ' ' PRO . 3.5 m -111.95 145.37 32.6 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.507 0.769 . . . . 0.0 110.384 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 164' ' ' PRO . . . . . 0.68 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.1 Cg_endo -75.07 110.95 3.21 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.439 1.757 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 165' ' ' LYS . . . . . 0.539 ' HB2' HD12 ' A' ' 159' ' ' LEU . 0.0 OUTLIER -98.9 -23.6 15.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . 0.509 ' CB ' ' HD3' ' A' ' 167' ' ' PRO . 0.3 OUTLIER -51.45 -52.95 54.97 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 167' ' ' PRO . . . . . 0.509 ' HD3' ' CB ' ' A' ' 166' ' ' ASP . 18.4 Cg_endo -74.98 -48.93 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.464 1.77 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -48.52 -39.62 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.567 1.167 . . . . 0.0 109.387 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 169' ' ' LEU . . . . . 0.656 HD13 HD12 ' A' ' 155' ' ' LEU . 13.4 tp -59.36 -61.96 2.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . 0.5 ' CZ ' ' O ' ' A' ' 191' ' ' THR . 32.2 ttp85 -53.44 -40.74 65.42 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.451 1.095 . . . . 0.0 110.307 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.04 -33.18 73.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.986 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.571 HD21 ' HE3' ' A' ' 133' ' ' TRP . 10.5 mt -78.53 -38.65 39.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 173' ' ' ALA . . . . . 0.452 ' HB1' ' HE1' ' A' ' 144' ' ' TYR . . . -78.72 0.05 28.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -111.66 -67.67 0.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 111.037 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 2.3 m -45.0 -65.08 0.58 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.944 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 176' ' ' ASN . . . . . 0.913 ' HB3' HD23 ' A' ' 137' ' ' LEU . 7.2 p30 -91.03 65.16 5.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.245 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 177' ' ' ALA . . . . . 0.452 ' HB2' ' O ' ' A' ' 173' ' ' ALA . . . -130.77 63.61 1.58 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.624 1.202 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 178' ' ' ASN . . . . . 0.422 ' O ' ' O ' ' A' ' 177' ' ' ALA . 0.0 OUTLIER 41.09 -162.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.084 . . . . 0.0 109.336 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 6.5 ttpt -111.13 -15.38 13.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 109.335 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.02 -43.97 13.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 181' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 184' ' ' LEU . 7.4 t -64.28 -59.94 3.78 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.508 1.13 . . . . 0.0 108.305 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.75 -45.07 7.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.278 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 8.3 ttpp -72.63 -32.36 65.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.654 HD23 ' O ' ' A' ' 184' ' ' LEU . 0.9 OUTLIER -60.4 -49.36 77.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 185' ' ' LEU . . . . . 0.529 HD11 ' CE ' ' A' ' 198' ' ' MET . 17.2 mt -56.91 -58.34 8.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 186' ' ' GLN . . . . . 0.468 ' CD ' HG21 ' A' ' 191' ' ' THR . 32.1 mm-40 -52.28 -42.57 63.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.141 . . . . 0.0 110.326 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -63.81 -25.72 68.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 188' ' ' ARG . . . . . 0.474 ' HG3' ' CD2' ' A' ' 184' ' ' LEU . 0.0 OUTLIER -86.0 -20.01 29.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 110.278 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 62.52 56.64 20.4 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.525 1.141 . . . . 0.0 111.007 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 190' ' ' HIS . . . . . 0.584 ' CG ' ' O ' ' A' ' 190' ' ' HIS . 1.2 p80 -157.92 39.35 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 0.726 . . . . 0.0 109.609 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 191' ' ' THR . . . . . 0.5 ' O ' ' CZ ' ' A' ' 170' ' ' ARG . 0.9 OUTLIER -64.39 -46.53 82.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 110.434 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -82.29 57.86 3.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.389 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 193' ' ' SER . . . . . 0.545 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER -133.37 -179.0 0.95 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.618 1.199 . . . . 0.0 110.023 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . 0.545 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.4 Cg_endo -74.95 -179.73 5.26 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.467 1.772 . . . . 0.0 111.019 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 195' ' ' LEU . . . . . 0.565 HD21 ' CG1' ' A' ' 148' ' ' VAL . 6.6 tp -74.78 -52.41 11.53 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.495 1.122 . . . . 0.0 109.36 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -43.35 -44.55 6.36 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.445 1.091 . . . . 0.0 111.044 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 197' ' ' ASP . . . . . 0.447 ' HB3' ' CE1' ' A' ' 190' ' ' HIS . 0.2 OUTLIER -64.05 -37.45 87.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 0.783 . . . . 0.0 109.328 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 198' ' ' MET . . . . . 0.529 ' CE ' HD11 ' A' ' 185' ' ' LEU . 2.8 mmm -67.69 -38.48 83.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.422 1.076 . . . . 0.0 111.026 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 199' ' ' LEU . . . . . 0.639 HD21 HG11 ' A' ' 148' ' ' VAL . 2.4 mm? -70.25 -16.82 63.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -88.2 -23.33 23.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.613 1.196 . . . . 0.0 110.293 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -83.48 -39.8 20.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.349 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 202' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 204' ' ' THR . 0.1 OUTLIER -83.83 -16.43 44.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 108.344 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 203' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 202' ' ' CYS . 8.8 pt20 -38.41 -29.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 110.268 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 204' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 202' ' ' CYS . 1.5 t . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.321 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.57 ' HG3' ' CZ ' ' A' ' 48' ' ' PHE . 1.2 ttt . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.524 0.202 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.42 ' HG3' ' CG ' ' A' ' 18' ' ' LYS . 5.7 pt20 -136.24 -171.54 2.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.307 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -71.39 -61.26 1.83 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 111.04 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.42 ' CG ' ' HG3' ' A' ' 16' ' ' GLN . 4.7 pttt -45.99 -41.72 12.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.559 1.162 . . . . 0.0 109.283 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -53.57 -48.2 69.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 109.35 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.511 ' CD2' HD13 ' A' ' 58' ' ' LEU . 27.0 mt -64.18 -31.4 72.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.44 -50.13 60.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 110.27 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.65 -47.14 86.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.422 ' HA ' ' CG ' ' A' ' 26' ' ' GLU . 69.7 mt -52.69 -51.09 38.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.69 -33.23 21.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.32 -71.92 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.265 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.495 ' CD ' HG23 ' A' ' 40' ' ' THR . 4.8 pt-20 -45.33 -28.15 0.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.36 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.655 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 10.2 t -77.73 -47.65 25.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.7 p -46.22 -49.68 16.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.95 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -54.93 -33.39 62.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.436 1.085 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.655 ' HB3' ' O ' ' A' ' 27' ' ' VAL . . . -47.84 166.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.36 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.594 ' HB3' ' HB3' ' A' ' 34' ' ' SER . . . -108.14 164.51 14.61 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.496 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.0 Cg_endo -75.04 115.1 4.18 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.516 1.798 . . . . 0.0 110.988 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 70.19 34.25 69.6 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.488 1.118 . . . . 0.0 111.003 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.594 ' HB3' ' HB3' ' A' ' 31' ' ' ALA . 1.5 t -118.13 150.95 48.48 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.556 0.797 . . . . 0.0 110.033 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 50.27 2.47 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.512 1.796 . . . . 0.0 110.976 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -121.32 -46.94 2.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.158 . . . . 0.0 110.322 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.629 ' CE1' HD11 ' A' ' 41' ' ' ILE . 0.8 OUTLIER -65.98 -66.83 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 111.044 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.505 ' CE ' HD22 ' A' ' 118' ' ' LEU . 6.2 tpt -47.69 -41.23 22.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.579 1.174 . . . . 0.0 111.017 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -55.46 -42.96 75.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.272 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.653 HG21 HG23 ' A' ' 27' ' ' VAL . 0.9 OUTLIER -64.69 -23.42 67.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.335 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.629 HD11 ' CE1' ' A' ' 37' ' ' PHE . 19.7 mm -72.9 -52.72 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.637 ' HD2' HD13 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -55.92 -34.24 65.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.343 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.82 -51.16 68.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.367 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.497 ' HB1' ' CZ ' ' A' ' 48' ' ' PHE . . . -65.58 -33.72 76.58 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.38 1.05 . . . . 0.0 109.189 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.723 HG11 HD11 ' A' ' 118' ' ' LEU . 2.1 t -69.08 -30.21 45.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.75 -2.15 56.22 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -87.45 -68.53 0.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.575 1.172 . . . . 0.0 110.292 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.57 ' CZ ' ' HG3' ' A' ' 15' ' ' MET . 1.5 p90 -114.34 -27.56 7.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.965 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 48' ' ' PHE . 1.7 m-20 76.13 93.24 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 126.39 9.95 Favored 'Trans proline' 0 C--N 1.359 1.087 0 O-C-N 124.534 1.807 . . . . 0.0 110.971 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.6 p -61.44 -167.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 110.385 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.51 -38.6 81.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 109.367 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' A' ' 56' ' ' GLN . 4.9 mttp -63.1 -65.16 0.73 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.413 1.07 . . . . 0.0 109.234 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -45.89 -42.41 12.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 109.275 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 1.034 HD13 ' CG ' ' A' ' 117' ' ' TRP . 12.8 mt -60.55 -41.96 95.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.565 1.165 . . . . 0.0 109.336 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -53.04 -54.07 40.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.25 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 60' ' ' GLN . 17.9 t0 -65.79 -55.72 15.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.524 HD22 ' HE1' ' A' ' 15' ' ' MET . 31.9 tp -43.11 -36.53 1.69 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.426 1.078 . . . . 0.0 109.302 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 33.3 tp -65.02 -47.99 75.5 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.61 1.193 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -87.79 18.26 4.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -111.65 -31.04 7.12 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.543 1.152 . . . . 0.0 111.061 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 63.8 mt -102.09 -62.37 1.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.45 ' SG ' HG12 ' A' ' 67' ' ' VAL . 13.6 p -86.12 171.75 11.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 108.3 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.0 m -90.95 176.14 6.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.971 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.1 m -53.81 -44.04 69.86 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.579 1.174 . . . . 0.0 110.048 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.406 ' C ' HD12 ' A' ' 66' ' ' LEU . 2.5 tp -45.25 -71.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.45 HG12 ' SG ' ' A' ' 63' ' ' CYS . 3.5 t -50.51 -50.77 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.516 ' O ' ' CG ' ' A' ' 72' ' ' HIS . . . -43.77 -35.76 2.01 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.553 1.158 . . . . 0.0 109.264 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.6 m -78.65 -47.67 16.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 109.996 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.443 ' O ' ' NE2' ' A' ' 74' ' ' GLN . 94.6 mt -51.24 -45.54 62.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.508 ' CD2' ' C ' ' A' ' 71' ' ' HIS . 0.2 OUTLIER -67.34 -37.77 83.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 109.603 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.516 ' CG ' ' O ' ' A' ' 68' ' ' ALA . 52.7 m170 -56.67 -21.06 24.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.642 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -87.79 -71.99 0.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.326 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.443 ' NE2' ' O ' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -46.88 -32.55 3.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.319 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.846 HD13 HD12 ' A' ' 79' ' ' ILE . 2.1 tm? -76.25 -42.0 47.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -59.28 -53.01 63.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.9 t -52.8 -52.38 57.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.052 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.593 HD23 ' HG ' ' A' ' 116' ' ' LEU . 19.1 tp -51.06 -52.31 44.55 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.572 1.17 . . . . 0.0 109.246 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.846 HD12 HD13 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -52.52 -43.79 43.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.56 -36.47 45.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.018 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -67.76 -35.41 78.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.287 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.743 ' HB1' HG12 ' A' ' 87' ' ' ILE . . . -66.15 -59.82 3.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.147 . . . . 0.0 109.328 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -51.03 -39.53 56.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.249 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.8 m -57.4 -47.01 82.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.423 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.13 -1.67 27.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 110.345 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.47 -6.84 63.16 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.451 1.094 . . . . 0.0 111.023 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.743 HG12 ' HB1' ' A' ' 82' ' ' ALA . 37.7 mt 56.35 167.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.777 . . . . 0.0 109.367 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.505 ' N ' HG22 ' A' ' 87' ' ' ILE . 62.7 p -44.63 -76.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.592 1.183 . . . . 0.0 110.384 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.413 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -138.17 53.6 0.71 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.461 1.101 . . . . 0.0 111.04 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.506 ' CD1' ' OE1' ' A' ' 100' ' ' GLN . 77.0 t80 -81.19 144.89 31.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 0.736 . . . . 0.0 110.959 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -111.31 102.16 52.33 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.199 0 O-C-N 124.438 1.757 . . . . 0.0 111.015 -179.998 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.473 ' HB2' ' CG2' ' A' ' 99' ' ' VAL . 18.6 Cg_endo . . . . . 0 N--CA 1.453 -0.867 0 N-CA-C 111.029 -0.412 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.712 HD21 HG12 ' A' ' 79' ' ' ILE . 14.6 tp -120.15 -52.43 2.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.34 -25.16 48.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.247 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.473 ' CG2' ' HB2' ' A' ' 96' ' ' PRO . 89.1 t -66.14 -45.01 91.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.506 ' OE1' ' CD1' ' A' ' 90' ' ' TYR . 77.2 mt-30 -71.37 -23.7 61.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 0.0 110.335 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.544 ' HB2' ' CD2' ' A' ' 113' ' ' TYR . . . -76.94 -25.88 53.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -113.14 33.17 5.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.145 . . . . 0.0 109.28 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -98.75 132.3 24.11 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 49.16 2.2 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.539 1.81 . . . . 0.0 110.952 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -165.83 -41.55 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.272 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -79.65 54.75 1.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.02 -24.98 63.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 110.32 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.25 -56.46 20.09 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.515 1.134 . . . . 0.0 111.023 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.659 HD11 HG21 ' A' ' 87' ' ' ILE . 0.2 OUTLIER -74.32 -30.25 61.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.586 0.815 . . . . 0.0 109.343 179.945 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.44 -55.15 37.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.272 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.49 -45.54 90.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -53.35 -51.03 63.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.544 ' CD2' ' HB2' ' A' ' 101' ' ' ALA . 4.7 t80 -53.83 -39.9 65.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 110.953 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.573 ' NE2' HD11 ' A' ' 55' ' ' LEU . 29.7 tp60 -55.14 -50.87 68.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.21 -57.9 4.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 110.335 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.725 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 0.0 OUTLIER -41.57 -42.91 2.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 1.034 ' CG ' HD13 ' A' ' 55' ' ' LEU . 88.2 t90 -60.07 -54.97 39.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 108.01 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.723 HD11 HG11 ' A' ' 45' ' ' VAL . 50.4 mt -53.11 -28.32 24.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.436 1.085 . . . . 0.0 109.348 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.725 ' HB3' ' O ' ' A' ' 116' ' ' LEU . . . -59.79 -63.26 1.37 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.465 ' CB ' ' HB2' ' A' ' 75' ' ' LEU . . . -54.91 -38.5 67.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.93 -30.64 71.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 111.021 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -99.12 6.47 46.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -101.83 1.37 37.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 81.4 mt -74.18 154.86 88.38 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.55 1.816 . . . . 0.0 111.007 179.995 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . 0.64 ' HG2' ' HB2' ' A' ' 134' ' ' ALA . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.841 0 N-CA-C 110.95 -0.442 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.94 -23.12 52.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.987 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.706 ' CD1' HD23 ' A' ' 155' ' ' LEU . 12.6 p-90 -75.76 -13.29 60.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 0.0 107.937 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.64 ' HB2' ' HG2' ' A' ' 131' ' ' PRO . . . -68.24 -10.45 54.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.07 31.83 4.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 110.003 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.575 HD12 ' HA ' ' A' ' 133' ' ' TRP . 32.7 mt -123.12 120.91 61.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.496 ' N ' HD12 ' A' ' 137' ' ' LEU . 0.0 OUTLIER -146.52 149.8 34.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . 0.461 ' NE2' ' O ' ' A' ' 139' ' ' GLY . 2.8 tp60 -67.28 114.31 5.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.261 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . 0.461 ' O ' ' NE2' ' A' ' 138' ' ' GLN . . . -76.7 158.14 48.29 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.432 1.082 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -62.68 -35.17 78.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.765 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -114.94 40.75 2.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.261 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -132.35 155.77 80.89 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . 0.464 ' HB2' ' HB3' ' A' ' 146' ' ' ALA . 18.5 Cg_endo -74.91 109.88 3.01 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.453 1.765 . . . . 0.0 111.037 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' TYR . . . . . 0.743 ' O ' HG23 ' A' ' 148' ' ' VAL . 2.6 t80 -66.55 -45.17 80.25 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.546 1.154 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' HIS . . . . . 0.499 ' C ' ' CD2' ' A' ' 145' ' ' HIS . 0.2 OUTLIER -58.64 -58.12 9.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.565 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.464 ' HB3' ' HB2' ' A' ' 143' ' ' PRO . . . -52.57 -36.89 56.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . 0.472 ' CE1' HG23 ' A' ' 136' ' ' ILE . 0.1 OUTLIER -60.6 -56.69 18.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.743 HG23 ' O ' ' A' ' 144' ' ' TYR . 21.5 t -44.81 -39.8 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -58.27 -59.83 4.71 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.58 1.175 . . . . 0.0 110.261 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -57.01 -44.06 82.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.089 . . . . 0.0 110.297 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.475 ' HB3' ' CD1' ' A' ' 169' ' ' LEU . 1.8 mt -46.87 -43.51 18.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -65.36 -34.02 77.34 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . 0.448 ' N ' ' O ' ' A' ' 150' ' ' ARG . 17.1 mt -69.02 -61.86 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -54.78 -20.41 8.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.245 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 0.706 HD23 ' CD1' ' A' ' 133' ' ' TRP . 21.1 mt -90.18 -23.26 21.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 153' ' ' ILE . 30.7 t70 -88.01 -8.06 56.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 29.7 m-20 -115.12 -7.64 12.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.437 1.086 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -128.14 -43.32 0.23 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.526 1.141 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.614 HD13 ' HD2' ' A' ' 160' ' ' PRO . 0.2 OUTLIER -79.93 115.18 52.27 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.453 0.737 . . . . 0.0 109.262 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . 0.614 ' HD2' HD13 ' A' ' 159' ' ' LEU . 18.2 Cg_endo -75.07 -171.11 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.535 1.808 . . . . 0.0 111.006 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -89.34 -43.27 11.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 110.266 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -51.59 -28.8 23.06 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.506 1.129 . . . . 0.0 111.023 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 163' ' ' THR . . . . . 0.655 HG23 ' HD2' ' A' ' 164' ' ' PRO . 1.5 m -100.96 144.01 27.72 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.449 0.735 . . . . 0.0 110.396 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 164' ' ' PRO . . . . . 0.655 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.4 Cg_endo -74.98 116.62 4.64 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.499 1.789 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 165' ' ' LYS . . . . . 0.557 ' HB2' HD12 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -102.56 -18.62 15.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 109.346 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . 0.554 ' N ' ' CD ' ' A' ' 167' ' ' PRO . 0.0 OUTLIER -57.39 -49.78 91.9 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.318 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 167' ' ' PRO . . . . . 0.554 ' CD ' ' N ' ' A' ' 166' ' ' ASP . 18.1 Cg_endo -75.08 -45.65 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.41 1.742 . . . . 0.0 110.949 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 168' ' ' ILE . . . . . 0.465 HD13 HD21 ' A' ' 159' ' ' LEU . 0.3 OUTLIER -53.65 -46.84 61.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 169' ' ' LEU . . . . . 0.673 HD13 HD12 ' A' ' 155' ' ' LEU . 53.9 tp -54.52 -56.77 15.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.578 1.174 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . 0.502 ' HG3' HD13 ' A' ' 195' ' ' LEU . 10.5 mtt180 -58.97 -15.94 15.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 110.281 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 171' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 175' ' ' SER . 0.2 OUTLIER -83.8 -38.94 20.62 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.557 1.161 . . . . 0.0 110.008 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.541 ' CD1' HD11 ' A' ' 155' ' ' LEU . 0.9 OUTLIER -81.99 -17.88 45.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.437 1.086 . . . . 0.0 109.278 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -83.99 -30.61 26.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 174' ' ' TYR . . . . . 0.443 ' HB2' ' HE1' ' A' ' 198' ' ' MET . 13.6 t80 -117.02 -69.91 0.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.942 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 171' ' ' SER . 0.2 OUTLIER -41.57 -30.28 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.949 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 176' ' ' ASN . . . . . 0.424 ' HB3' HD23 ' A' ' 137' ' ' LEU . 2.1 m120 -118.46 61.63 0.78 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 177' ' ' ALA . . . . . 0.413 ' O ' ' O ' ' A' ' 178' ' ' ASN . . . -139.73 158.36 44.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 178' ' ' ASN . . . . . 0.413 ' O ' ' O ' ' A' ' 177' ' ' ALA . 44.2 p-10 -57.52 -160.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.258 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.21 -45.29 7.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.575 1.172 . . . . 0.0 109.3 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.26 -42.56 41.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 181' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 184' ' ' LEU . 71.7 m -76.23 -66.35 0.81 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.495 1.122 . . . . 0.0 108.268 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . 0.452 ' O ' ' NE2' ' A' ' 186' ' ' GLN . 3.5 mt-30 -40.58 -37.18 0.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.235 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 11.0 ttpp -72.24 -47.16 52.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.696 ' C ' HD23 ' A' ' 184' ' ' LEU . 2.9 tt -57.91 -49.95 74.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 185' ' ' LEU . . . . . 0.681 HD21 ' SD ' ' A' ' 198' ' ' MET . 3.6 mt -48.92 -55.73 10.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.255 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 186' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' A' ' 189' ' ' GLY . 0.4 OUTLIER -59.46 -58.66 7.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.447 1.092 . . . . 0.0 110.302 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -46.75 -31.72 3.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.75 -37.67 76.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.403 1.065 . . . . 0.0 110.275 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 189' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 186' ' ' GLN . . . 75.94 62.13 2.71 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.513 1.133 . . . . 0.0 111.074 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 190' ' ' HIS . . . . . 0.554 ' NE2' HD23 ' A' ' 185' ' ' LEU . 1.4 p80 -156.32 23.83 0.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 0.739 . . . . 0.0 109.571 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -50.14 -47.24 54.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.364 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -86.85 62.3 7.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 193' ' ' SER . . . . . 0.402 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 1.0 OUTLIER -144.68 173.24 4.53 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.01 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . 0.402 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.1 Cg_endo -75.04 174.03 13.5 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.495 1.787 . . . . 0.0 110.927 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 195' ' ' LEU . . . . . 0.718 HD21 ' CG1' ' A' ' 148' ' ' VAL . 6.3 tp -65.24 -39.41 92.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -42.26 -35.28 1.77 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.452 1.095 . . . . 0.0 110.983 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 197' ' ' ASP . . . . . 0.489 ' HB3' ' CE1' ' A' ' 190' ' ' HIS . 10.6 t0 -84.58 -36.88 21.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.764 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 198' ' ' MET . . . . . 0.681 ' SD ' HD21 ' A' ' 185' ' ' LEU . 65.1 mmm -54.45 -37.15 64.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 111.029 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 199' ' ' LEU . . . . . 0.681 HD21 HG11 ' A' ' 148' ' ' VAL . 3.6 mm? -83.2 -35.76 25.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.615 1.197 . . . . 0.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.47 -5.16 30.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -103.79 -36.65 7.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 202' ' ' CYS . . . . . 0.585 ' SG ' ' CE1' ' A' ' 144' ' ' TYR . 11.1 m -84.83 -13.27 51.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 108.331 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -58.52 -30.14 66.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.336 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.376 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.704 ' HE1' HD21 ' A' ' 20' ' ' LEU . 2.2 ttt . . . . . 0 N--CA 1.454 -0.254 0 CA-C-O 120.539 0.209 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 -79.91 156.68 27.17 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.463 1.102 . . . . 0.0 110.298 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.47 -37.19 3.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.172 . . . . 0.0 110.922 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.2 ttpt -54.83 -47.49 74.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -56.79 -58.74 6.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.783 ' HA ' HD12 ' A' ' 23' ' ' ILE . 6.0 mt -53.11 -39.27 63.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -58.82 6.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.79 -38.33 64.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.147 . . . . 0.0 109.264 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.783 HD12 ' HA ' ' A' ' 20' ' ' LEU . 37.5 mt -57.34 -53.36 44.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.149 . . . . 0.0 109.338 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -48.56 -32.38 7.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.346 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.64 -70.95 0.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.572 ' CD ' HG23 ' A' ' 40' ' ' THR . 12.7 pt-20 -46.58 -27.33 1.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 110.319 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.544 HG13 ' CD1' ' A' ' 37' ' ' PHE . 23.9 t -79.07 -51.96 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.257 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.5 p -46.93 -27.23 1.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 109.959 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -72.21 -46.83 54.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.268 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.746 ' HB1' ' HB3' ' A' ' 36' ' ' GLN . . . -44.84 167.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.444 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -98.93 163.03 19.57 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.444 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.5 Cg_endo -74.93 126.17 9.84 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.564 1.823 . . . . 0.0 111.02 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.32 43.59 97.2 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.434 1.084 . . . . 0.0 111.042 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.6 m -129.1 156.65 77.86 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.455 0.738 . . . . 0.0 110.036 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 49.32 2.23 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.49 1.784 . . . . 0.0 110.96 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.746 ' HB3' ' HB1' ' A' ' 30' ' ' ALA . 9.7 tp60 -121.68 -52.94 2.0 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.535 1.147 . . . . 0.0 110.271 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.826 ' CE1' HD11 ' A' ' 41' ' ' ILE . 3.5 t80 -60.05 -59.13 5.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 0.0 110.989 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.405 ' SD ' ' HB2' ' A' ' 122' ' ' ALA . 4.1 tpt -48.33 -40.61 25.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -58.19 -41.66 84.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.572 HG23 ' CD ' ' A' ' 26' ' ' GLU . 29.1 m -63.46 -24.49 67.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.356 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.826 HD11 ' CE1' ' A' ' 37' ' ' PHE . 16.6 mm -71.5 -39.38 70.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.565 ' HA ' HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -70.47 -33.34 71.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 0.0 110.354 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.435 ' O ' ' CG ' ' A' ' 47' ' ' GLN . 54.7 tp -65.14 -32.44 74.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.439 ' HB1' ' CZ ' ' A' ' 48' ' ' PHE . . . -85.5 -44.15 12.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.054 HG11 HD11 ' A' ' 118' ' ' LEU . 0.3 OUTLIER -68.84 -8.5 10.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.3 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.409 ' CB ' ' O ' ' A' ' 42' ' ' ARG . 1.2 tt0 -110.62 -27.79 8.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 110.352 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.435 ' CG ' ' O ' ' A' ' 43' ' ' LEU . 26.8 mt-30 -66.64 -65.44 0.68 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 110.319 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.562 ' CE1' ' HG3' ' A' ' 15' ' ' MET . 17.5 p90 -113.82 -30.45 6.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.168 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 74.32 96.1 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.456 ' HD2' HG23 ' A' ' 45' ' ' VAL . 18.2 Cg_endo -74.98 148.67 35.69 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.49 1.784 . . . . 0.0 110.991 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.3 p -82.71 -176.27 6.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.365 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.68 -50.7 62.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -56.5 -57.47 12.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.438 ' CB ' ' HB2' ' A' ' 50' ' ' PRO . 90.4 m-20 -50.46 -37.1 36.52 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.557 1.161 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.965 HD13 ' CG ' ' A' ' 117' ' ' TRP . 13.0 mt -67.31 -45.93 75.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.221 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -56.46 -52.7 63.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.349 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -64.26 -41.26 97.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 19.3 tp -62.46 -24.27 67.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.351 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.493 HD23 ' CE1' ' A' ' 72' ' ' HIS . 32.2 tp -71.43 -43.53 66.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -79.9 -21.25 44.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.584 1.178 . . . . 0.0 110.28 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -66.18 -57.84 6.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 111.033 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.637 HD13 ' HE1' ' A' ' 37' ' ' PHE . 23.1 mt -98.89 -67.37 0.85 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.347 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.476 ' SG ' ' CG1' ' A' ' 67' ' ' VAL . 0.8 OUTLIER -49.65 148.27 3.06 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.461 1.1 . . . . 0.0 108.289 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.4 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.5 OUTLIER -86.28 156.98 20.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.013 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.773 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 0.5 OUTLIER -39.71 -75.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.047 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.1 tp -44.52 -64.41 0.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.328 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.49 HG13 HD13 ' A' ' 124' ' ' LEU . 1.2 t -41.23 -32.87 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.773 ' HB3' ' O ' ' A' ' 65' ' ' SER . . . -68.03 -64.11 0.93 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 59.6 p -42.87 -37.1 1.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.995 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.452 ' O ' ' NE2' ' A' ' 74' ' ' GLN . 14.0 mt -62.55 -47.52 83.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.345 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.648 ' CE1' ' HB3' ' A' ' 120' ' ' ALA . 3.4 t60 -63.65 -36.69 84.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.601 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.493 ' CE1' HD23 ' A' ' 59' ' ' LEU . 38.7 m80 -52.72 -49.44 65.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.589 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.46 -37.89 87.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.452 ' NE2' ' O ' ' A' ' 70' ' ' LEU . 5.6 mt-30 -58.02 -51.47 69.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.366 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.581 HD22 HD21 ' A' ' 116' ' ' LEU . 3.0 mt -66.31 -36.56 83.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -60.57 -37.13 80.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 42.2 t -81.03 -40.65 23.91 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.423 1.077 . . . . 0.0 110.025 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.702 HD23 ' CG ' ' A' ' 116' ' ' LEU . 5.2 tp -59.35 -61.86 2.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.224 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 2.5 mt -56.07 -43.81 76.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.3 m -48.75 -31.79 7.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.955 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -76.97 -34.16 57.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 110.265 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.831 ' HB1' HG12 ' A' ' 87' ' ' ILE . . . -66.55 -60.28 2.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.31 -28.65 55.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.288 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.9 m -76.01 -47.76 23.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 110.46 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -77.12 -1.31 28.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.113 . . . . 0.0 110.296 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 76.42 96.05 0.17 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.524 1.14 . . . . 0.0 110.972 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.926 HG21 HD11 ' A' ' 109' ' ' LEU . 32.4 mt -64.63 155.01 6.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.753 . . . . 0.0 109.307 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.633 HG23 ' H ' ' A' ' 89' ' ' GLY . 0.1 OUTLIER -35.3 -83.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.534 1.146 . . . . 0.0 110.424 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.633 ' H ' HG23 ' A' ' 88' ' ' THR . . . -129.47 58.81 0.7 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.436 1.085 . . . . 0.0 111.014 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.415 ' CB ' ' HB ' ' A' ' 87' ' ' ILE . 12.3 t80 -81.34 152.48 27.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 0.761 . . . . 0.0 111.074 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -108.35 127.26 27.84 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.432 1.083 . . . . 0.0 109.266 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.18 0 O-C-N 124.465 1.771 . . . . 0.0 110.996 179.943 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.897 0 N-CA-C 110.995 -0.425 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.868 HD11 HD22 ' A' ' 109' ' ' LEU . 0.3 OUTLIER -47.45 -37.96 12.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.539 1.149 . . . . 0.0 109.321 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.458 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 25.8 ptt180 -48.55 -37.84 18.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.272 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.432 ' N ' ' HG3' ' A' ' 98' ' ' ARG . 37.2 t -64.45 -34.95 72.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.35 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 97' ' ' LEU . 44.4 mt-30 -72.4 -42.67 64.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.421 1.076 . . . . 0.0 110.273 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.1 -24.51 66.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.272 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 98' ' ' ARG . 28.0 p30 -118.69 32.78 5.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.401 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 5.9 m-20 -102.49 137.61 19.43 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 48.86 2.09 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.483 1.781 . . . . 0.0 111.032 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.435 ' CG ' ' N ' ' A' ' 106' ' ' GLN . 8.4 pt20 -156.76 -43.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.266 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.435 ' N ' ' CG ' ' A' ' 105' ' ' GLN . 13.2 mm100 -79.63 116.43 19.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 0.0 110.266 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -114.69 -33.38 5.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -67.9 -55.74 13.04 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.554 1.159 . . . . 0.0 111.013 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.926 HD11 HG21 ' A' ' 87' ' ' ILE . 0.2 OUTLIER -66.74 -36.09 81.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 0.756 . . . . 0.0 109.289 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.51 -48.65 62.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.301 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -70.04 -59.77 2.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.365 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 113' ' ' TYR . 0.1 OUTLIER -44.66 -33.28 1.77 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.211 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.773 ' HE1' HD12 ' A' ' 55' ' ' LEU . 29.8 t80 -68.47 -47.72 66.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.942 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -50.45 -50.08 53.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.53 -50.9 56.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.399 1.062 . . . . 0.0 110.323 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.768 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 0.0 OUTLIER -48.36 -39.59 22.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.965 ' CG ' HD13 ' A' ' 55' ' ' LEU . 34.8 t90 -60.04 -61.82 2.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.533 1.146 . . . . 0.0 108.025 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 1.054 HD11 HG11 ' A' ' 45' ' ' VAL . 98.5 mt -44.68 -28.58 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.261 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.768 ' HB3' ' O ' ' A' ' 116' ' ' LEU . . . -62.3 -62.91 1.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.648 ' HB3' ' CE1' ' A' ' 71' ' ' HIS . . . -56.27 -35.43 67.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.586 1.179 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -67.33 -32.04 72.73 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.528 1.142 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.405 ' HB2' ' SD ' ' A' ' 38' ' ' MET . . . -97.31 7.04 47.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.429 ' HB3' ' OE1' ' A' ' 74' ' ' GLN . . . -101.12 1.62 39.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.371 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.49 HD13 HG13 ' A' ' 67' ' ' VAL . 91.3 mt -76.17 150.84 83.38 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.463 1.77 . . . . 0.0 110.916 -179.953 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.892 0 N-CA-C 111.018 -0.416 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 9.5 m -74.86 -24.24 58.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.11 . . . . 0.0 109.96 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.676 ' HE3' HD21 ' A' ' 172' ' ' LEU . 28.4 p-90 -74.43 -21.25 59.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 108.017 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -70.51 -7.65 45.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.34 26.37 6.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.171 . . . . 0.0 109.963 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.484 HG22 ' HE1' ' A' ' 147' ' ' PHE . 30.1 mt -125.02 125.01 68.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.477 ' N ' HD12 ' A' ' 137' ' ' LEU . 0.0 OUTLIER -145.52 154.28 42.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . 0.468 ' NE2' ' O ' ' A' ' 139' ' ' GLY . 0.1 OUTLIER -73.12 120.24 18.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.301 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . 0.474 ' CA ' ' HB2' ' A' ' 142' ' ' GLU . . . -80.18 149.56 31.02 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.426 HD22 ' HA ' ' A' ' 140' ' ' LEU . 0.9 OUTLIER -51.5 -47.28 63.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 109.294 179.913 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -110.37 40.37 1.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.474 ' HB2' ' CA ' ' A' ' 139' ' ' GLY . 5.5 mt-10 -114.35 168.66 7.63 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.333 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . 0.905 ' HB2' ' HB3' ' A' ' 146' ' ' ALA . 18.2 Cg_endo -75.08 115.37 4.25 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.502 1.791 . . . . 0.0 110.96 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' TYR . . . . . 0.891 ' O ' HG23 ' A' ' 148' ' ' VAL . 1.9 t80 -69.27 -55.57 10.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' HIS . . . . . 0.434 ' C ' ' CD2' ' A' ' 145' ' ' HIS . 0.8 OUTLIER -59.16 -58.09 10.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.59 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.905 ' HB3' ' HB2' ' A' ' 143' ' ' PRO . . . -50.61 -50.83 53.07 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . 0.496 ' CB ' ' O ' ' A' ' 143' ' ' PRO . 7.1 t80 -47.65 -42.18 23.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.891 HG23 ' O ' ' A' ' 144' ' ' TYR . 18.2 t -65.88 -47.62 84.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . 0.409 ' O ' HD12 ' A' ' 153' ' ' ILE . 0.4 OUTLIER -53.14 -54.85 29.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -58.62 -49.22 78.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.608 1.192 . . . . 0.0 110.282 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.808 ' O ' HD12 ' A' ' 155' ' ' LEU . 0.6 OUTLIER -43.54 -38.92 3.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -66.36 -48.35 70.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.167 . . . . 0.0 109.366 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . 0.409 HD12 ' O ' ' A' ' 149' ' ' GLU . 1.3 mp -62.24 -67.62 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -41.3 -34.8 0.54 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 0.808 HD12 ' O ' ' A' ' 151' ' ' LEU . 2.3 mt -66.69 -64.31 0.88 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -46.71 -23.3 0.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . 0.427 ' N ' ' C ' ' A' ' 155' ' ' LEU . 0.8 OUTLIER -72.77 -31.8 65.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.25 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . 0.568 ' N ' ' O ' ' A' ' 155' ' ' LEU . . . -140.7 56.55 0.6 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.672 HD23 HD23 ' A' ' 155' ' ' LEU . 0.2 OUTLIER -145.93 107.32 4.27 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 109.33 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 159.31 41.4 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.444 1.76 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -66.83 -42.99 84.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.297 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -46.64 -28.98 3.87 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 163' ' ' THR . . . . . 0.521 HG23 ' HD2' ' A' ' 164' ' ' PRO . 1.3 m -110.5 141.27 23.63 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.552 0.795 . . . . 0.0 110.424 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 164' ' ' PRO . . . . . 0.521 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.3 Cg_endo -75.1 142.09 27.13 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 165' ' ' LYS . . . . . 0.495 ' HB2' HD12 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -111.7 -28.46 8.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 109.236 -179.904 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . 0.554 ' N ' ' CD ' ' A' ' 167' ' ' PRO . 0.0 OUTLIER -49.36 -49.82 68.57 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.377 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 167' ' ' PRO . . . . . 0.554 ' CD ' ' N ' ' A' ' 166' ' ' ASP . 18.4 Cg_endo -75.03 -44.76 0.31 Allowed 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.498 1.788 . . . . 0.0 111.01 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 168' ' ' ILE . . . . . 0.44 ' CG2' ' CD2' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -54.22 -44.96 66.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 169' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' A' ' 151' ' ' LEU . 36.2 tp -53.94 -57.06 12.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . 0.419 ' CZ ' ' HA ' ' A' ' 192' ' ' ASN . 3.7 ttp180 -57.14 -45.15 83.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.414 1.071 . . . . 0.0 110.327 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 171' ' ' SER . . . . . 0.47 ' O ' ' CB ' ' A' ' 175' ' ' SER . 0.1 OUTLIER -62.3 -20.96 64.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.028 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.676 HD21 ' HE3' ' A' ' 133' ' ' TRP . 17.1 mt -86.99 -39.15 15.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.583 1.177 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -71.02 -7.72 48.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 174' ' ' TYR . . . . . 0.449 ' OH ' ' NE2' ' A' ' 186' ' ' GLN . 20.7 t80 -116.0 -63.12 1.5 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.426 1.079 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . 0.47 ' CB ' ' O ' ' A' ' 171' ' ' SER . 19.8 m -50.0 -44.49 51.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.025 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 176' ' ' ASN . . . . . 0.466 ' HB3' ' CB ' ' A' ' 137' ' ' LEU . 4.7 m-80 -105.13 65.23 0.73 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 177' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 178' ' ' ASN . . . -138.77 141.61 38.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 178' ' ' ASN . . . . . 0.473 ' ND2' ' H ' ' A' ' 181' ' ' CYS . 15.6 p-10 -53.32 -173.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -78.95 -55.59 5.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.0 -36.45 3.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 181' ' ' CYS . . . . . 0.473 ' H ' ' ND2' ' A' ' 178' ' ' ASN . 11.1 t -71.8 -71.7 0.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 108.352 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -40.64 -38.11 0.83 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 0.0 110.255 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.65 -46.11 55.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.579 1.175 . . . . 0.0 109.339 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.696 ' C ' HD23 ' A' ' 184' ' ' LEU . 3.0 tt -55.82 -53.0 62.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 185' ' ' LEU . . . . . 0.924 HD11 ' SD ' ' A' ' 198' ' ' MET . 10.7 mt -49.31 -50.17 40.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.252 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 186' ' ' GLN . . . . . 0.449 ' NE2' ' OH ' ' A' ' 174' ' ' TYR . 0.5 OUTLIER -59.51 -60.75 3.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.337 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -49.71 -45.93 49.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 188' ' ' ARG . . . . . 0.512 ' HD2' ' HB1' ' A' ' 201' ' ' ALA . 1.2 tpm_? -49.44 -48.23 47.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 110.36 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 109.14 44.44 1.09 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.554 1.159 . . . . 0.0 111.051 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 190' ' ' HIS . . . . . 0.54 ' CD2' ' HB3' ' A' ' 197' ' ' ASP . 0.0 OUTLIER -174.18 117.09 0.22 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.409 0.711 . . . . 0.0 109.604 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 2.0 p -120.45 -54.66 2.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 110.364 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 192' ' ' ASN . . . . . 0.419 ' HA ' ' CZ ' ' A' ' 170' ' ' ARG . 8.7 m120 -92.39 43.88 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 193' ' ' SER . . . . . 0.47 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.2 OUTLIER -104.38 176.83 1.59 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.026 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . 0.47 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.5 Cg_endo -74.98 144.83 30.81 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.555 1.818 . . . . 0.0 111.049 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 195' ' ' LEU . . . . . 0.718 HD21 ' CG1' ' A' ' 148' ' ' VAL . 3.8 tp -41.89 -37.89 1.41 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -46.98 -40.1 12.26 Favored Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.58 1.175 . . . . 0.0 110.989 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 197' ' ' ASP . . . . . 0.54 ' HB3' ' CD2' ' A' ' 190' ' ' HIS . 1.0 OUTLIER -77.6 -38.35 48.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 0.779 . . . . 0.0 109.3 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 198' ' ' MET . . . . . 0.924 ' SD ' HD11 ' A' ' 185' ' ' LEU . 36.4 tpp -53.31 -51.46 62.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 199' ' ' LEU . . . . . 0.517 HD21 HG11 ' A' ' 148' ' ' VAL . 3.2 mm? -68.99 -29.08 67.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.51 -7.57 56.45 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.532 1.145 . . . . 0.0 110.336 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 201' ' ' ALA . . . . . 0.512 ' HB1' ' HD2' ' A' ' 188' ' ' ARG . . . -97.24 -41.14 8.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.583 1.177 . . . . 0.0 109.349 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 202' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 204' ' ' THR . 20.3 p -79.62 -24.06 42.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 108.334 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 203' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 202' ' ' CYS . 15.6 pt20 -37.62 -31.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 204' ' ' THR . . . . . 0.455 ' N ' ' O ' ' A' ' 202' ' ' CYS . 4.6 t . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.454 1.096 . . . . 0.0 110.384 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.589 ' SD ' ' CZ ' ' A' ' 48' ' ' PHE . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.544 0.211 . . . . 0.0 110.981 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.5 pm0 -102.4 159.26 15.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 110.286 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -43.17 -27.34 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.22 -48.78 72.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.361 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -57.88 -59.52 5.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.58 ' CD2' HD13 ' A' ' 58' ' ' LEU . 33.1 mt -46.64 -43.82 17.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -57.01 -58.69 7.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.77 -43.65 69.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.348 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.427 ' HA ' ' CG ' ' A' ' 26' ' ' GLU . 91.2 mt -56.51 -58.16 6.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.464 ' HA ' HD21 ' A' ' 62' ' ' LEU . 1.1 ttmt -45.08 -30.77 1.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -72.69 -69.85 0.38 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.557 ' CD ' HG23 ' A' ' 40' ' ' THR . 4.7 pt-20 -48.75 -23.02 0.91 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 0.0 110.266 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.738 HG23 HG21 ' A' ' 40' ' ' THR . 36.2 t -82.96 -39.29 15.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.532 1.145 . . . . 0.0 109.26 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.26 -26.39 67.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.979 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.67 -34.75 52.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 110.306 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.588 ' HB1' ' HB3' ' A' ' 36' ' ' GLN . . . -52.37 166.71 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.457 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -110.19 162.98 18.29 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.457 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.4 Cg_endo -74.93 116.6 4.64 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.612 1.848 . . . . 0.0 111.034 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.17 42.93 11.24 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.528 1.143 . . . . 0.0 111.026 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.2 m -135.51 151.04 73.88 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.469 0.747 . . . . 0.0 109.926 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 50.76 2.61 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.555 1.818 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.588 ' HB3' ' HB1' ' A' ' 30' ' ' ALA . 0.5 OUTLIER -121.32 -46.16 2.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.319 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -68.51 -65.25 0.72 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.447 ' HE1' HD22 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -50.33 -48.3 55.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.379 1.05 . . . . 0.0 111.054 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -51.68 -46.93 64.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.738 HG21 HG23 ' A' ' 27' ' ' VAL . 1.0 OUTLIER -55.42 -30.64 60.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.424 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.74 HG22 HD21 ' A' ' 118' ' ' LEU . 2.7 mm -72.8 -32.11 39.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.455 ' HD2' HD13 ' A' ' 118' ' ' LEU . 6.1 mmm180 -80.76 -30.31 36.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.273 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.8 tp -71.04 -33.99 70.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.576 1.172 . . . . 0.0 109.272 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.45 ' HB1' ' CZ ' ' A' ' 48' ' ' PHE . . . -75.43 -38.66 59.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.265 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.2 t -69.37 -17.15 21.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.324 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -102.29 -22.61 14.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.416 ' CA ' ' OE1' ' A' ' 47' ' ' GLN . 0.3 OUTLIER -69.96 -68.45 0.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 110.312 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.589 ' CZ ' ' SD ' ' A' ' 15' ' ' MET . 8.7 p90 -114.21 -33.22 5.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' A' ' 48' ' ' PHE . 0.5 OUTLIER 81.75 94.9 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 109.261 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 120.6 6.12 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.521 1.8 . . . . 0.0 111.004 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.6 p -59.21 -175.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.387 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.78 -45.12 95.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -55.94 -55.27 34.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -52.88 -52.93 55.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.257 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 1.076 HD13 ' CG ' ' A' ' 117' ' ' TRP . 17.4 mt -48.39 -38.74 20.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.1 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.64 -57.88 10.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 110.318 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.424 ' C ' ' N ' ' A' ' 59' ' ' LEU . 44.8 t0 -63.4 -55.29 25.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.58 HD13 ' CD2' ' A' ' 20' ' ' LEU . 34.6 tp -42.6 -28.3 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.424 ' N ' ' C ' ' A' ' 57' ' ' ASP . 19.8 tp -73.34 -51.91 15.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.487 ' OE1' ' CB ' ' A' ' 68' ' ' ALA . 1.1 tp-100 -87.94 22.45 2.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 88.5 t80 -120.05 -31.99 4.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.94 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.529 HD23 ' HA ' ' A' ' 62' ' ' LEU . 8.4 mt -101.67 -63.84 1.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.35 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 28.4 p -88.69 162.07 16.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.082 . . . . 0.0 108.371 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.69 -160.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.02 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.43 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 46.7 t -85.71 -43.5 13.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 110.059 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.3 tp -49.52 -71.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -46.96 -46.54 8.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.228 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.487 ' CB ' ' OE1' ' A' ' 60' ' ' GLN . . . -48.8 -46.16 41.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.3 p -67.07 -43.08 83.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.585 1.178 . . . . 0.0 110.01 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 71.1 mt -54.99 -51.48 66.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.337 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.609 ' ND1' ' HB3' ' A' ' 120' ' ' ALA . 0.2 OUTLIER -53.79 -46.5 71.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.558 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -19.42 43.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.604 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -73.33 -66.24 0.71 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.331 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.38 -27.19 69.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.731 HD13 ' O ' ' A' ' 75' ' ' LEU . 1.9 tm? -71.72 -32.72 68.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 109.233 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -66.57 -50.04 64.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 109.297 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.62 -47.86 83.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 110.016 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.72 HD23 ' HG ' ' A' ' 116' ' ' LEU . 24.3 tp -49.39 -49.28 45.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.603 HD12 HD13 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -56.26 -48.82 78.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.9 t -46.29 -29.24 1.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.08 . . . . 0.0 109.996 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -77.04 -38.89 51.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.304 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.761 ' HB1' HG12 ' A' ' 87' ' ' ILE . . . -65.16 -61.06 2.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -52.06 -33.93 41.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.226 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.5 m -63.04 -42.46 99.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 110.418 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -81.14 -0.52 40.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.258 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 87' ' ' ILE . . . 84.04 -11.23 58.16 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.427 1.079 . . . . 0.0 110.958 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.873 HG21 HD11 ' A' ' 109' ' ' LEU . 38.5 mt 59.73 154.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 0.767 . . . . 0.0 109.317 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.656 HG23 ' H ' ' A' ' 89' ' ' GLY . 0.1 OUTLIER -36.42 -82.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.426 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.656 ' H ' HG23 ' A' ' 88' ' ' THR . . . -131.51 57.48 0.72 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.538 1.149 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.454 ' CB ' ' HB ' ' A' ' 87' ' ' ILE . 84.1 t80 -86.07 143.53 28.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.612 0.831 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.411 ' O ' ' NE2' ' A' ' 100' ' ' GLN . 0.5 OUTLIER -110.49 99.75 42.23 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.499 1.789 . . . . 0.0 110.943 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.887 0 N-CA-C 110.999 -0.424 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 100' ' ' GLN . 14.0 tp -119.99 -53.82 2.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.457 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 0.0 OUTLIER -49.57 -33.05 13.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.348 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 15.4 t -62.3 -28.18 44.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.428 1.08 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 97' ' ' LEU . 10.7 mm-40 -82.37 -32.83 29.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.395 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.456 ' HB2' ' CD2' ' A' ' 113' ' ' TYR . . . -71.25 -44.76 64.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 98' ' ' ARG . 24.0 p30 -94.94 32.09 1.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -105.4 124.24 37.0 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.167 . . . . 0.0 109.283 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -16.98 19.81 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.477 1.777 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -73.43 -16.18 61.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -149.64 79.73 1.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.259 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -69.05 -8.74 47.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 110.293 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -61.88 -57.69 16.28 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.873 HD11 HG21 ' A' ' 87' ' ' ILE . 0.4 OUTLIER -67.33 -29.74 69.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 0.805 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -55.36 -43.59 75.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -72.94 -43.32 62.48 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.477 1.11 . . . . 0.0 110.272 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -57.69 -40.18 78.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.257 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.456 ' CD2' ' HB2' ' A' ' 101' ' ' ALA . 26.4 t80 -65.94 -40.87 91.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -57.93 -42.46 84.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 110.318 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -76.22 -45.27 33.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 110.333 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.72 ' HG ' HD23 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -56.18 -36.4 68.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 1.076 ' CG ' HD13 ' A' ' 55' ' ' LEU . 90.5 t90 -67.09 -47.4 71.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 107.97 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.74 HD21 HG22 ' A' ' 41' ' ' ILE . 84.4 mt -60.15 -33.05 71.63 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.477 1.11 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 116' ' ' LEU . . . -58.44 -48.01 82.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.609 ' HB3' ' ND1' ' A' ' 71' ' ' HIS . . . -67.24 -30.42 70.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.535 ' CE1' ' CZ2' ' A' ' 117' ' ' TRP . 0.4 OUTLIER -72.19 -17.77 61.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.425 1.078 . . . . 0.0 111.031 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -117.64 6.71 12.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -99.32 -1.73 38.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 77.2 mt -63.02 151.14 86.79 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.27 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.132 0 O-C-N 124.541 1.811 . . . . 0.0 111.021 179.99 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . 0.455 ' O ' ' HB3' ' A' ' 134' ' ' ALA . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.896 0 N-CA-C 111.004 -0.422 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.5 m -74.36 -29.44 61.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.989 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.857 ' HA ' HD12 ' A' ' 136' ' ' ILE . 13.2 p-90 -70.87 -10.12 58.99 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 131' ' ' PRO . . . -68.61 -11.14 59.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.579 1.174 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 24.7 m -129.84 28.95 5.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.048 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.857 HD12 ' HA ' ' A' ' 133' ' ' TRP . 39.6 mt -117.23 118.36 58.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.504 HD23 ' HA ' ' A' ' 176' ' ' ASN . 0.0 OUTLIER -138.12 146.85 43.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . 0.608 ' OE1' ' CD2' ' A' ' 144' ' ' TYR . 0.3 OUTLIER -66.74 127.12 31.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.31 -179.907 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . 0.434 ' O ' ' NE2' ' A' ' 138' ' ' GLN . . . -91.26 135.76 12.97 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.627 HD22 ' OD1' ' A' ' 178' ' ' ASN . 0.0 OUTLIER -49.38 -42.69 42.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 0.0 109.342 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -95.83 38.16 1.18 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -136.28 159.98 68.7 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.42 1.075 . . . . 0.0 110.269 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . 0.526 ' HB2' ' HB3' ' A' ' 146' ' ' ALA . 18.3 Cg_endo -75.02 116.61 4.64 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.469 1.773 . . . . 0.0 111.031 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' TYR . . . . . 0.773 ' O ' HG23 ' A' ' 148' ' ' VAL . 0.4 OUTLIER -66.35 -54.58 22.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.408 1.067 . . . . 0.0 111.044 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' HIS . . . . . 0.468 ' HA ' ' CD1' ' A' ' 199' ' ' LEU . 2.3 t-160 -52.9 -47.61 67.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.553 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.526 ' HB3' ' HB2' ' A' ' 143' ' ' PRO . . . -62.53 -41.14 98.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.09 . . . . 0.0 109.335 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . 0.574 ' CE2' ' HB2' ' A' ' 138' ' ' GLN . 3.1 t80 -61.53 -50.28 73.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.773 HG23 ' O ' ' A' ' 144' ' ' TYR . 46.0 t -48.98 -40.76 12.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.118 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -66.44 -65.06 0.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.407 1.067 . . . . 0.0 110.367 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . 0.49 ' HA ' HD12 ' A' ' 153' ' ' ILE . 0.6 OUTLIER -45.59 -37.98 6.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.72 HD11 ' HB3' ' A' ' 172' ' ' LEU . 0.2 OUTLIER -59.78 -47.78 84.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 -64.84 -37.34 87.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.35 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . 0.49 HD12 ' HA ' ' A' ' 150' ' ' ARG . 26.1 mt -62.33 -57.61 11.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.38 1.05 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -56.03 -21.61 22.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.575 1.172 . . . . 0.0 109.35 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 0.765 HD23 HD23 ' A' ' 159' ' ' LEU . 5.8 mt -86.28 -20.73 27.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -83.57 -13.03 55.36 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -113.14 -9.6 13.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.226 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -121.94 -43.91 0.39 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.453 1.096 . . . . 0.0 111.019 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.765 HD23 HD23 ' A' ' 155' ' ' LEU . 0.2 OUTLIER -79.85 114.42 46.03 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.486 0.756 . . . . 0.0 109.29 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . 0.56 ' HD2' HD13 ' A' ' 159' ' ' LEU . 18.3 Cg_endo -75.15 174.16 13.27 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.473 1.775 . . . . 0.0 110.958 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.53 -17.97 46.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 110.268 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -82.34 1.69 86.74 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.489 1.118 . . . . 0.0 111.035 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 163' ' ' THR . . . . . 0.738 HG23 ' HD2' ' A' ' 164' ' ' PRO . 2.9 m -129.0 146.16 59.57 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.494 0.761 . . . . 0.0 110.424 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 164' ' ' PRO . . . . . 0.738 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.1 Cg_endo -75.05 113.63 3.84 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.504 1.792 . . . . 0.0 110.952 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 165' ' ' LYS . . . . . 0.546 ' HB2' HD12 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -101.67 -32.35 10.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . 0.518 ' CB ' ' HD3' ' A' ' 167' ' ' PRO . 0.2 OUTLIER -43.11 -53.67 10.32 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 -179.894 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 167' ' ' PRO . . . . . 0.518 ' HD3' ' CB ' ' A' ' 166' ' ' ASP . 18.4 Cg_endo -74.94 -50.02 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.498 1.788 . . . . 0.0 111.065 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 168' ' ' ILE . . . . . 0.536 ' CD1' HD21 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -45.4 -39.81 2.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 21.4 tp -59.24 -64.08 1.07 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.15 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . 0.434 ' CD ' ' O ' ' A' ' 166' ' ' ASP . 9.7 mpt_? -51.39 -34.91 36.43 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 0.0 110.301 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.29 -29.63 65.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.081 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.72 ' HB3' HD11 ' A' ' 151' ' ' LEU . 5.2 mt -79.03 -45.52 20.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.357 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 173' ' ' ALA . . . . . 0.671 ' O ' ' HB2' ' A' ' 177' ' ' ALA . . . -70.58 -9.95 58.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 109.236 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 174' ' ' TYR . . . . . 0.428 ' O ' ' CG ' ' A' ' 182' ' ' GLN . 61.1 t80 -99.02 -69.08 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.654 1.221 . . . . 0.0 111.027 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.63 -49.43 77.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 110.06 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 176' ' ' ASN . . . . . 0.504 ' HA ' HD23 ' A' ' 137' ' ' LEU . 0.9 OUTLIER -89.61 57.06 3.78 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.45 1.094 . . . . 0.0 109.326 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 177' ' ' ALA . . . . . 0.671 ' HB2' ' O ' ' A' ' 173' ' ' ALA . . . -133.68 139.88 46.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.237 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 178' ' ' ASN . . . . . 0.627 ' OD1' HD22 ' A' ' 140' ' ' LEU . 14.8 t30 -40.06 158.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.451 ' N ' ' OD1' ' A' ' 178' ' ' ASN . 0.3 OUTLIER -64.57 -42.77 95.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . 0.424 ' HB3' ' ND2' ' A' ' 178' ' ' ASN . 0.5 OUTLIER -68.5 -23.32 64.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.265 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 181' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 184' ' ' LEU . 39.4 m -79.47 -64.13 1.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 108.261 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . 0.428 ' CG ' ' O ' ' A' ' 174' ' ' TYR . 1.6 mt-30 -41.43 -33.52 0.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.241 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -75.22 -47.18 29.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.265 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.753 HD23 ' O ' ' A' ' 184' ' ' LEU . 1.5 tt -52.3 -33.67 43.26 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.579 1.175 . . . . 0.0 109.334 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 185' ' ' LEU . . . . . 0.922 HD11 ' SD ' ' A' ' 198' ' ' MET . 6.0 mt -68.67 -63.14 1.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.086 . . . . 0.0 109.308 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 186' ' ' GLN . . . . . 0.77 ' OE1' HG21 ' A' ' 191' ' ' THR . 1.9 mm100 -50.06 -52.75 31.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.288 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -50.62 -50.04 55.19 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.468 1.105 . . . . 0.0 109.241 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 188' ' ' ARG . . . . . 0.474 ' HG3' ' CD2' ' A' ' 184' ' ' LEU . 0.2 OUTLIER -57.91 -17.66 18.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 61.29 44.29 98.27 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.467 1.104 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 190' ' ' HIS . . . . . 0.75 ' NE2' HD23 ' A' ' 185' ' ' LEU . 1.0 OUTLIER -139.5 36.85 2.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.758 . . . . 0.0 109.549 -179.899 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 191' ' ' THR . . . . . 0.77 HG21 ' OE1' ' A' ' 186' ' ' GLN . 0.8 OUTLIER -60.31 -46.3 90.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.392 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -91.77 63.8 4.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.241 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 193' ' ' SER . . . . . 0.438 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.4 OUTLIER -137.19 175.39 3.51 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.032 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . 0.438 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.5 Cg_endo -74.98 -174.28 1.87 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.509 1.794 . . . . 0.0 110.993 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 195' ' ' LEU . . . . . 0.707 HD21 HG12 ' A' ' 148' ' ' VAL . 8.8 tp -75.67 -42.36 51.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -43.92 -36.31 3.7 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.487 1.117 . . . . 0.0 111.036 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 197' ' ' ASP . . . . . 0.491 ' HB3' ' CE1' ' A' ' 190' ' ' HIS . 16.7 t0 -78.17 -36.05 47.99 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.497 0.763 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 198' ' ' MET . . . . . 0.922 ' SD ' HD11 ' A' ' 185' ' ' LEU . 44.6 tpp -57.43 -32.94 67.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.985 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 199' ' ' LEU . . . . . 0.468 ' CD1' ' HA ' ' A' ' 145' ' ' HIS . 2.0 mm? -83.03 -31.05 27.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 9.9 mtp180 -75.4 -8.96 58.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -100.92 -32.4 10.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.345 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 202' ' ' CYS . . . . . 0.567 ' HB2' ' CD2' ' A' ' 144' ' ' TYR . 9.3 p -87.6 -16.35 34.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 108.289 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 203' ' ' GLN . . . . . 0.421 ' HG3' ' N ' ' A' ' 204' ' ' THR . 11.8 pt20 -53.05 -42.38 65.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.363 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 204' ' ' THR . . . . . 0.421 ' N ' ' HG3' ' A' ' 203' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 110.415 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.68 ' HE1' HD21 ' A' ' 20' ' ' LEU . 2.9 ttt . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.499 0.19 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.446 ' HG3' ' N ' ' A' ' 17' ' ' MET . 26.2 tp60 -79.8 145.44 32.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.142 . . . . 0.0 110.279 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.446 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -42.14 -39.91 2.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 110.978 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 pttp -58.09 -45.65 86.81 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.559 1.162 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 16' ' ' GLN . 13.5 m-20 -51.98 -49.1 63.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.792 ' HA ' HD12 ' A' ' 23' ' ' ILE . 6.4 mt -63.14 -29.01 70.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.443 ' NE2' ' O ' ' A' ' 17' ' ' MET . 1.0 OUTLIER -70.92 -48.93 50.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.7 -33.1 71.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.792 HD12 ' HA ' ' A' ' 20' ' ' LEU . 22.9 mt -66.94 -57.74 8.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 0.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.52 ' HA ' HD21 ' A' ' 62' ' ' LEU . 20.4 tttm -45.55 -26.26 0.56 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.42 ' N ' ' C ' ' A' ' 23' ' ' ILE . 0.6 OUTLIER -74.03 -67.96 0.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.284 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.694 ' CD ' HG23 ' A' ' 40' ' ' THR . 3.5 pt-20 -53.61 -21.19 6.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.333 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.555 HG13 ' CD1' ' A' ' 37' ' ' PHE . 45.1 t -80.86 -47.36 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.353 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.5 t -49.22 -33.33 12.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.982 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.44 -35.57 73.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 27' ' ' VAL . . . -48.73 167.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.736 ' HB3' ' HB2' ' A' ' 34' ' ' SER . . . -95.68 162.43 24.29 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.448 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.1 Cg_endo -75.03 107.42 2.48 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.508 1.794 . . . . 0.0 110.937 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 69.6 46.96 52.47 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.57 1.169 . . . . 0.0 111.037 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.736 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -126.9 160.07 61.07 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 109.961 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 48.91 2.11 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.535 1.808 . . . . 0.0 111.036 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -121.67 -51.85 2.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.272 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.708 ' CE1' HD11 ' A' ' 41' ' ' ILE . 5.2 t80 -58.93 -56.77 17.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.171 . . . . 0.0 110.964 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.44 ' CE ' HD22 ' A' ' 118' ' ' LEU . 2.9 tpt -51.03 -40.69 58.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.171 . . . . 0.0 111.013 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -57.75 -39.44 77.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.694 HG23 ' CD ' ' A' ' 26' ' ' GLU . 1.1 m -66.04 -26.41 67.5 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.571 1.169 . . . . 0.0 110.41 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.797 HG22 HD21 ' A' ' 118' ' ' LEU . 21.9 mm -67.92 -40.57 83.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.359 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.42 ' CD ' HD13 ' A' ' 118' ' ' LEU . 3.2 mpp_? -69.12 -34.44 75.05 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.493 1.121 . . . . 0.0 110.315 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 35.1 tp -63.35 -44.66 94.21 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.54 -50.78 41.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 109.253 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.821 HG11 HD11 ' A' ' 118' ' ' LEU . 0.3 OUTLIER -58.68 -17.27 10.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.474 1.109 . . . . 0.0 109.261 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -96.43 -22.46 17.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 110.318 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -69.34 -70.21 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.28 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.569 ' CZ ' ' HG3' ' A' ' 15' ' ' MET . 9.5 p90 -111.64 -34.57 6.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.085 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.513 ' CB ' ' O ' ' A' ' 48' ' ' PHE . 2.4 t70 82.94 91.72 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.271 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.61 ' HD2' HG23 ' A' ' 45' ' ' VAL . 18.3 Cg_endo -74.99 128.17 11.28 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.522 1.801 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.427 ' OG1' ' N ' ' A' ' 52' ' ' ALA . 7.7 t -69.09 -173.81 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 110.375 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.427 ' N ' ' OG1' ' A' ' 51' ' ' THR . . . -54.91 -48.35 73.18 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.443 1.09 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.4 -58.34 7.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.315 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -56.67 -49.42 75.12 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 1.071 HD13 ' CG ' ' A' ' 117' ' ' TRP . 18.0 mt -53.07 -32.39 46.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.413 ' HA ' ' OE1' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -61.62 -63.58 1.22 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.472 1.107 . . . . 0.0 110.34 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.481 ' O ' ' CB ' ' A' ' 61' ' ' TYR . 0.1 OUTLIER -56.82 -45.16 82.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 0.0 109.349 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.1 tp -52.77 -25.17 10.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 20.3 tp -77.19 -52.5 9.14 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.36 24.28 2.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.481 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 50.0 t80 -120.51 -44.87 2.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 110.988 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.52 HD21 ' HA ' ' A' ' 24' ' ' LYS . 5.0 mt -106.32 -61.21 1.55 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.483 ' HB3' ' CG1' ' A' ' 67' ' ' VAL . 8.8 m -59.84 168.08 1.92 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 108.32 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 78.9 p -92.51 175.88 6.66 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.612 1.195 . . . . 0.0 109.996 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.412 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 30.4 t -59.78 -68.68 0.26 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.134 . . . . 0.0 110.011 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.41 HD12 HD11 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -42.84 -55.79 3.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.348 179.916 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.483 ' CG1' ' HB3' ' A' ' 63' ' ' CYS . 2.1 t -47.81 -49.0 11.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 65' ' ' SER . . . -56.07 -40.77 74.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.1 m -65.7 -43.42 89.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.009 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.41 HD11 HD12 ' A' ' 66' ' ' LEU . 59.0 mt -60.99 -56.19 24.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.238 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.478 ' ND1' ' HB3' ' A' ' 120' ' ' ALA . 2.2 t60 -54.16 -49.95 68.11 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 109.626 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -46.71 -43.16 17.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.684 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.63 -61.61 2.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.584 1.177 . . . . 0.0 110.272 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.494 ' OE1' ' CB ' ' A' ' 123' ' ' ALA . 2.8 mt-30 -52.41 -30.36 28.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 110.341 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.727 HD13 ' CD1' ' A' ' 79' ' ' ILE . 0.2 OUTLIER -66.93 -49.53 65.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -54.8 -48.05 73.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 33.7 t -67.59 -27.55 67.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 110.0 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.907 HD23 ' HG ' ' A' ' 116' ' ' LEU . 0.9 OUTLIER -66.32 -68.65 0.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.246 -179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.763 ' CG1' HD22 ' A' ' 97' ' ' LEU . 1.5 mp -44.73 -45.3 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.426 1.079 . . . . 0.0 109.219 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.406 ' O ' ' CB ' ' A' ' 84' ' ' THR . 33.2 t -51.09 -36.81 42.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.942 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 78' ' ' LEU . 5.9 tt0 -69.71 -41.19 75.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.31 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.403 ' HB1' ' CG1' ' A' ' 87' ' ' ILE . . . -61.31 -56.61 18.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.407 1.067 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.411 ' HG2' ' CE2' ' A' ' 90' ' ' TYR . 9.9 mt-10 -60.15 -44.42 95.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.302 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.406 ' CB ' ' O ' ' A' ' 80' ' ' SER . 5.5 m -58.05 -47.52 82.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.434 1.084 . . . . 0.0 110.432 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.26 -2.85 23.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 68.1 82.68 0.16 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.493 1.12 . . . . 0.0 111.008 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.471 ' CG2' ' N ' ' A' ' 88' ' ' THR . 8.1 mt -43.93 164.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.475 0.75 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.517 HG23 ' N ' ' A' ' 89' ' ' GLY . 7.7 t -72.69 -54.59 8.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.393 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.517 ' N ' HG23 ' A' ' 88' ' ' THR . . . -133.85 71.2 0.5 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.509 1.131 . . . . 0.0 110.966 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.576 ' CG ' ' N ' ' A' ' 91' ' ' ASN . 49.4 t80 -112.55 172.95 6.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 0.771 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.576 ' N ' ' CG ' ' A' ' 90' ' ' TYR . 12.6 p-10 -136.09 122.0 13.74 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.142 0 O-C-N 124.47 1.774 . . . . 0.0 110.965 179.959 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.409 ' O ' ' OE1' ' A' ' 100' ' ' GLN . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.886 0 N-CA-C 111.0 -0.423 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.763 HD22 ' CG1' ' A' ' 79' ' ' ILE . 8.3 tp -60.26 -15.21 22.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.452 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 36.3 ptt-85 -76.66 0.61 19.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 18.9 t -96.83 -55.16 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.445 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 6.5 pm0 -75.85 -0.05 19.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.34 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -94.68 -19.46 20.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.22 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 98' ' ' ARG . 10.2 m-20 -94.06 -5.12 48.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 109.349 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.413 ' ND2' ' HB2' ' A' ' 105' ' ' GLN . 34.0 t30 -88.24 119.79 70.38 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -4.77 15.9 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.493 1.786 . . . . 0.0 111.0 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.413 ' HB2' ' ND2' ' A' ' 103' ' ' ASN . 4.7 mm100 -67.31 -51.52 51.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.591 1.182 . . . . 0.0 110.318 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.445 ' NE2' ' O ' ' A' ' 100' ' ' GLN . 5.4 pt20 -100.13 71.82 1.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.289 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -14.04 15.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.423 1.077 . . . . 0.0 110.3 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -60.85 -57.29 19.57 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.511 1.132 . . . . 0.0 110.94 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.414 ' CD1' HG21 ' A' ' 87' ' ' ILE . 0.8 OUTLIER -75.2 -45.58 39.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 0.776 . . . . 0.0 109.315 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 17.2 ttt180 -41.17 -42.5 2.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.23 -44.5 29.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.241 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.402 ' O ' ' OE2' ' A' ' 112' ' ' GLU . 8.9 tp10 -56.24 -25.32 47.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.265 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.591 ' CE2' HD23 ' A' ' 97' ' ' LEU . 1.9 t80 -81.5 -49.93 10.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 111.003 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.563 ' HG3' HG22 ' A' ' 45' ' ' VAL . 1.6 tm0? -49.11 -43.0 41.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 110.336 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.42 -33.15 64.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.907 ' HG ' HD23 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -68.47 -30.25 69.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 1.071 ' CG ' HD13 ' A' ' 55' ' ' LEU . 70.8 t90 -68.54 -57.57 5.58 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.821 HD11 HG11 ' A' ' 45' ' ' VAL . 28.5 mt -51.71 -29.01 16.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.499 ' HB3' HD21 ' A' ' 78' ' ' LEU . . . -62.13 -62.04 2.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.536 ' CB ' HD23 ' A' ' 75' ' ' LEU . . . -56.69 -24.04 46.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.559 1.162 . . . . 0.0 109.342 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.791 ' CE1' ' CZ2' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -74.58 -45.52 44.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -87.36 8.19 25.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.494 ' CB ' ' OE1' ' A' ' 74' ' ' GLN . . . -97.66 0.67 47.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.263 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 78.3 mt -70.88 153.93 94.52 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.229 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.202 0 O-C-N 124.459 1.768 . . . . 0.0 111.009 -179.979 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . 0.617 ' O ' ' HB3' ' A' ' 134' ' ' ALA . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.87 0 N-CA-C 111.02 -0.416 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.42 -41.79 79.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.003 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.864 ' HA ' HD12 ' A' ' 136' ' ' ILE . 11.8 p-90 -57.65 -18.7 21.77 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.617 ' HB3' ' O ' ' A' ' 131' ' ' PRO . . . -60.63 -14.65 21.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 109.257 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 11.9 p -129.29 35.48 4.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.976 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.864 HD12 ' HA ' ' A' ' 133' ' ' TRP . 62.5 mt -123.25 119.03 56.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.599 ' O ' ' CZ ' ' A' ' 147' ' ' PHE . 0.2 OUTLIER -136.44 -176.74 4.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.432 1.083 . . . . 0.0 109.345 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . 0.464 ' CG ' ' HA ' ' A' ' 144' ' ' TYR . 0.0 OUTLIER -105.62 115.21 29.86 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.441 1.088 . . . . 0.0 110.325 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -74.4 145.93 35.18 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.568 1.168 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.686 HD13 ' O ' ' A' ' 140' ' ' LEU . 2.3 tm? -57.58 -18.46 19.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 0.787 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -129.68 47.15 2.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 110.316 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -139.32 159.68 65.09 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 109.94 3.02 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.427 1.751 . . . . 0.0 110.926 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' TYR . . . . . 0.856 ' O ' HG23 ' A' ' 148' ' ' VAL . 0.9 OUTLIER -69.06 -44.35 72.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 110.991 179.91 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' HIS . . . . . 0.461 ' C ' ' CD2' ' A' ' 145' ' ' HIS . 0.5 OUTLIER -57.0 -54.1 50.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.657 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -56.51 -50.03 73.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . 0.599 ' CZ ' ' O ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -47.5 -42.23 22.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 111.034 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.856 HG23 ' O ' ' A' ' 144' ' ' TYR . 38.5 t -60.56 -40.71 85.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.04 -56.12 24.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 110.266 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . 0.605 ' HA ' HD12 ' A' ' 153' ' ' ILE . 17.2 mtt180 -59.87 -35.33 74.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.155 . . . . 0.0 110.33 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.474 ' HB3' ' CD1' ' A' ' 169' ' ' LEU . 1.7 mt -55.39 -48.32 74.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -60.33 -34.59 74.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.36 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . 0.605 HD12 ' HA ' ' A' ' 150' ' ' ARG . 5.8 mt -67.64 -63.97 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.422 1.076 . . . . 0.0 109.288 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -52.59 -21.91 4.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 0.702 HD23 ' CD1' ' A' ' 133' ' ' TRP . 15.6 mt -86.22 -28.05 24.1 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.242 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 153' ' ' ILE . 0.8 OUTLIER -79.48 -7.7 58.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.439 1.087 . . . . 0.0 109.32 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -112.73 -30.67 7.0 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.427 1.079 . . . . 0.0 109.311 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -102.31 -43.17 2.07 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.64 HD23 ' CE2' ' A' ' 133' ' ' TRP . 0.2 OUTLIER -79.63 114.68 47.72 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.521 0.777 . . . . 0.0 109.245 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . 0.563 ' HD2' HD13 ' A' ' 159' ' ' LEU . 18.3 Cg_endo -74.96 -169.1 0.58 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.42 1.748 . . . . 0.0 111.007 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -95.71 -14.67 23.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 110.258 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -93.65 18.36 56.66 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.476 1.11 . . . . 0.0 111.03 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 163' ' ' THR . . . . . 0.692 HG23 ' HD2' ' A' ' 164' ' ' PRO . 3.9 m -138.28 145.85 48.98 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.487 0.757 . . . . 0.0 110.43 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 164' ' ' PRO . . . . . 0.692 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.3 Cg_endo -75.02 109.84 3.0 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.52 1.8 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 165' ' ' LYS . . . . . 0.594 ' HB2' HD12 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -100.03 -33.39 10.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.34 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . 0.513 ' CB ' ' HD3' ' A' ' 167' ' ' PRO . 0.1 OUTLIER -41.88 -53.28 8.19 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.429 1.08 . . . . 0.0 109.284 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 167' ' ' PRO . . . . . 0.513 ' HD3' ' CB ' ' A' ' 166' ' ' ASP . 18.4 Cg_endo -75.04 -48.8 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.448 1.762 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 168' ' ' ILE . . . . . 0.622 HD13 HD21 ' A' ' 159' ' ' LEU . 0.4 OUTLIER -47.96 -43.56 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.329 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 169' ' ' LEU . . . . . 0.496 HD13 HD12 ' A' ' 155' ' ' LEU . 26.3 tp -60.52 -63.85 1.16 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 13.1 mtm105 -47.7 -23.66 0.75 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.257 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.58 -54.38 6.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 109.954 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.482 HD21 ' CE3' ' A' ' 133' ' ' TRP . 0.7 OUTLIER -65.01 -12.93 55.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.34 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -89.96 -36.6 14.89 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.095 . . . . 0.0 109.262 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 174' ' ' TYR . . . . . 0.442 ' O ' ' C ' ' A' ' 175' ' ' SER . 11.8 t80 -113.81 -71.94 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 110.97 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 174' ' ' TYR . 23.5 t -35.63 -39.34 0.14 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.449 1.093 . . . . 0.0 109.982 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 176' ' ' ASN . . . . . 0.503 ' HB3' HD23 ' A' ' 137' ' ' LEU . 29.6 m120 -110.74 60.27 0.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.267 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 177' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 174' ' ' TYR . . . -134.61 152.6 51.89 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 178' ' ' ASN . . . . . 0.435 ' OD1' ' NE2' ' A' ' 138' ' ' GLN . 4.7 p-10 -53.44 -174.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.38 -42.4 25.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . 0.465 ' HB2' ' CD2' ' A' ' 140' ' ' LEU . 0.4 OUTLIER -60.37 -21.37 62.07 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.138 . . . . 0.0 110.257 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 181' ' ' CYS . . . . . 0.536 ' SG ' ' CD2' ' A' ' 144' ' ' TYR . 53.6 t -86.53 -69.47 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 108.335 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . 0.489 HE21 ' N ' ' A' ' 183' ' ' LYS . 0.0 OUTLIER -44.97 -31.92 1.45 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.453 1.095 . . . . 0.0 110.276 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 183' ' ' LYS . . . . . 0.489 ' N ' HE21 ' A' ' 182' ' ' GLN . 29.2 mtmt -75.03 -42.5 57.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.573 HD23 ' O ' ' A' ' 184' ' ' LEU . 2.3 tt -54.91 -56.04 23.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 185' ' ' LEU . . . . . 0.518 HD11 ' HE2' ' A' ' 198' ' ' MET . 16.9 mt -51.36 -52.82 42.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.267 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 186' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -52.66 -48.63 66.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -57.64 -31.11 65.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.345 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 188' ' ' ARG . . . . . 0.435 ' HG3' ' CD2' ' A' ' 184' ' ' LEU . 0.1 OUTLIER -81.5 -18.35 45.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 58.54 55.29 31.58 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.443 1.089 . . . . 0.0 110.969 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 190' ' ' HIS . . . . . 0.5 ' O ' ' C ' ' A' ' 191' ' ' THR . 0.5 OUTLIER -155.76 26.5 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 109.6 -179.92 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 191' ' ' THR . . . . . 0.5 ' C ' ' O ' ' A' ' 190' ' ' HIS . 17.6 p -30.93 -57.41 0.22 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 110.358 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 192' ' ' ASN . . . . . 0.457 ' O ' ' O ' ' A' ' 193' ' ' SER . 27.2 t-20 -68.94 -110.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.097 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 193' ' ' SER . . . . . 0.549 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER 47.97 -179.61 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.975 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . 0.549 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.2 Cg_endo -75.07 166.04 29.95 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.494 1.786 . . . . 0.0 110.939 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 195' ' ' LEU . . . . . 0.519 HD21 ' CG1' ' A' ' 148' ' ' VAL . 11.1 tp -67.4 -44.29 79.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -46.99 -41.63 14.34 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.07 -38.69 86.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 0.74 . . . . 0.0 109.35 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 198' ' ' MET . . . . . 0.518 ' HE2' HD11 ' A' ' 185' ' ' LEU . 90.9 mtp -62.35 -34.11 76.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 199' ' ' LEU . . . . . 0.63 HD21 HG11 ' A' ' 148' ' ' VAL . 3.1 mm? -75.11 -22.51 58.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 109.361 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 10.2 mtm180 -85.96 -14.38 44.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 110.309 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -89.51 -35.36 15.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.597 1.186 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 202' ' ' CYS . . . . . 0.596 ' CB ' ' CD1' ' A' ' 144' ' ' TYR . 1.0 OUTLIER -88.47 -18.61 27.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 108.288 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 203' ' ' GLN . . . . . 0.443 ' CG ' ' N ' ' A' ' 204' ' ' THR . 15.0 pt20 -38.15 -46.42 1.04 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.48 1.112 . . . . 0.0 110.327 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 204' ' ' THR . . . . . 0.443 ' N ' ' CG ' ' A' ' 203' ' ' GLN . 5.8 t . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.563 1.164 . . . . 0.0 110.388 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.593 ' SD ' ' CE1' ' A' ' 48' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.539 0.209 . . . . 0.0 111.023 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.422 ' N ' ' HG3' ' A' ' 15' ' ' MET . 5.9 pm0 -121.97 174.42 6.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.245 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -54.01 -18.91 3.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 111.041 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -61.39 1.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.078 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -47.12 -43.41 20.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.258 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.738 HD21 ' HB2' ' A' ' 58' ' ' LEU . 25.4 mt -54.05 -53.65 50.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 109.336 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.97 -53.84 47.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.241 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.49 -42.12 66.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.495 HD12 ' HA ' ' A' ' 20' ' ' LEU . 29.3 mt -59.98 -48.82 86.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.4 ttpp -50.25 -27.0 5.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -76.66 -69.58 0.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.628 ' CD ' HG23 ' A' ' 40' ' ' THR . 4.3 pt-20 -48.59 -23.54 1.04 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.857 HG23 HG21 ' A' ' 40' ' ' THR . 22.2 t -83.06 -43.41 18.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.448 1.093 . . . . 0.0 109.207 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 57.7 m -53.15 -20.79 4.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.006 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -81.78 -40.61 22.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 110.315 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.632 ' HB1' ' HB3' ' A' ' 36' ' ' GLN . . . -48.81 166.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.436 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -105.66 162.58 19.27 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.436 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.2 Cg_endo -74.97 117.34 4.88 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.547 1.814 . . . . 0.0 111.033 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 71.43 38.74 62.11 Favored Glycine 0 CA--C 1.528 0.905 0 O-C-N 124.551 1.157 . . . . 0.0 111.054 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.5 m -125.85 155.1 73.38 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.448 0.734 . . . . 0.0 110.018 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 50.15 2.45 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.461 1.769 . . . . 0.0 110.965 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.632 ' HB3' ' HB1' ' A' ' 30' ' ' ALA . 13.5 tp60 -121.33 -53.2 2.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.258 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.526 ' HD2' HG13 ' A' ' 27' ' ' VAL . 4.2 t80 -58.06 -59.6 5.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.106 . . . . 0.0 110.974 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.482 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -48.7 -41.86 33.1 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.556 1.16 . . . . 0.0 110.96 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -54.31 -41.0 68.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 110.315 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.857 HG21 HG23 ' A' ' 27' ' ' VAL . 1.4 m -67.63 -23.92 65.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.41 1.069 . . . . 0.0 110.415 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.731 HG22 ' CD2' ' A' ' 118' ' ' LEU . 12.4 mm -74.9 -57.43 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.47 ' HG3' HD13 ' A' ' 118' ' ' LEU . 0.8 OUTLIER -61.77 -31.45 71.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 110.33 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 22.1 tp -67.92 -48.04 67.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.51 ' O ' ' CE1' ' A' ' 48' ' ' PHE . . . -65.61 -32.92 74.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.643 HG11 HD11 ' A' ' 118' ' ' LEU . 0.9 OUTLIER -72.23 -37.05 57.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.587 1.179 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -87.3 0.3 55.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 110.312 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.34 -68.9 0.76 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.251 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.593 ' CE1' ' SD ' ' A' ' 15' ' ' MET . 0.2 OUTLIER -116.9 -24.85 7.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.578 1.174 . . . . 0.0 110.907 -179.931 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.412 ' HA ' ' OE1' ' A' ' 114' ' ' GLN . 1.1 m-20 72.34 98.31 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.551 1.157 . . . . 0.0 109.241 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.425 ' HB2' ' CB ' ' A' ' 54' ' ' ASP . 18.2 Cg_endo -74.95 143.0 28.73 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.527 1.804 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.5 p -61.9 -172.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.412 1.07 . . . . 0.0 110.412 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.23 -46.44 67.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.407 ' HD3' ' N ' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -63.78 -39.21 93.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.425 ' CB ' ' HB2' ' A' ' 50' ' ' PRO . 77.2 m-20 -57.55 -37.84 73.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 1.021 HD13 ' CG ' ' A' ' 117' ' ' TRP . 31.5 mt -65.89 -48.17 72.41 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.13 . . . . 0.0 109.347 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -53.71 -53.02 58.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 110.347 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.67 -57.5 10.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.738 ' HB2' HD21 ' A' ' 20' ' ' LEU . 10.0 tp -44.01 -40.33 4.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.342 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 33.1 tp -55.94 -54.14 48.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.35 5.41 14.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.31 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 8.3 t80 -97.68 -21.1 17.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 0.0 110.956 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 61' ' ' TYR . 49.2 mt -120.14 -69.87 0.82 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 3.3 p -68.67 173.04 5.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 108.302 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.44 ' O ' ' HB2' ' A' ' 68' ' ' ALA . 0.5 OUTLIER -87.7 -165.68 1.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.617 1.198 . . . . 0.0 109.986 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 m -77.99 -24.69 47.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.419 1.075 . . . . 0.0 109.961 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.471 ' C ' HD12 ' A' ' 66' ' ' LEU . 0.3 OUTLIER -73.05 -75.88 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.352 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.1 t -42.31 -34.61 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.44 ' HB2' ' O ' ' A' ' 64' ' ' SER . . . -61.69 -49.18 77.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 66' ' ' LEU . 2.4 m -58.47 -54.62 45.02 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 42.7 mt -52.51 -46.51 66.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.566 1.166 . . . . 0.0 109.337 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.79 ' CE1' ' HB3' ' A' ' 120' ' ' ALA . 8.0 t-80 -57.55 -41.83 81.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 109.614 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.66 -16.49 63.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.619 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 10.3 tp60 -80.29 -72.61 0.4 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.764 ' OE1' ' HB3' ' A' ' 123' ' ' ALA . 0.9 OUTLIER -47.26 -31.88 4.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.567 1.167 . . . . 0.0 110.279 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.821 HD13 HG12 ' A' ' 79' ' ' ILE . 1.6 tm? -74.16 -45.4 48.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.355 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.36 -43.38 23.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.155 . . . . 0.0 109.367 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.9 t -68.52 -39.96 80.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.995 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.631 HD23 ' CG ' ' A' ' 116' ' ' LEU . 0.7 OUTLIER -61.62 -39.59 91.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.821 HG12 HD13 ' A' ' 75' ' ' LEU . 42.5 mm -58.26 -59.65 3.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.456 1.098 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.0 t -49.91 -30.25 9.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.933 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -63.41 -39.98 95.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.421 1.075 . . . . 0.0 110.304 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.902 ' HB1' HG12 ' A' ' 87' ' ' ILE . . . -65.74 -59.62 3.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 0.0 109.357 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.567 ' HG2' ' CE2' ' A' ' 90' ' ' TYR . 6.2 mt-10 -54.39 -40.26 68.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.353 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.3 m -64.66 -48.28 75.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.358 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.25 -0.09 21.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 71.52 91.47 0.09 OUTLIER Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.572 1.17 . . . . 0.0 110.98 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.902 HG12 ' HB1' ' A' ' 82' ' ' ALA . 66.6 mt -53.71 167.74 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.588 0.816 . . . . 0.0 109.356 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.545 ' N ' HG22 ' A' ' 87' ' ' ILE . 14.7 t -88.09 -49.3 7.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 110.423 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.456 ' O ' HD12 ' A' ' 109' ' ' LEU . . . -124.19 68.16 0.49 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.601 1.188 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.63 ' CG ' HD12 ' A' ' 87' ' ' ILE . 54.3 t80 -127.93 135.74 50.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 0.726 . . . . 0.0 110.948 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -110.35 100.54 45.0 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.196 0 O-C-N 124.415 1.745 . . . . 0.0 110.966 -179.97 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.431 ' O ' ' NE2' ' A' ' 100' ' ' GLN . 17.9 Cg_endo . . . . . 0 N--CA 1.454 -0.838 0 N-CA-C 110.943 -0.445 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.69 HD21 HD12 ' A' ' 79' ' ' ILE . 14.2 tp -120.14 -55.64 2.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -51.31 -34.07 31.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.166 . . . . 0.0 110.3 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 60.5 t -60.16 -45.69 95.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.495 ' OE1' ' CD1' ' A' ' 90' ' ' TYR . 29.0 mt-30 -66.26 -20.33 66.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.301 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -103.98 16.33 26.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -107.67 -20.67 13.15 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.575 1.172 . . . . 0.0 109.331 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.406 ' ND2' ' HB2' ' A' ' 105' ' ' GLN . 46.9 p-10 -99.26 138.42 20.54 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.383 1.052 . . . . 0.0 109.299 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 0.25 9.09 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.407 1.741 . . . . 0.0 111.027 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.406 ' HB2' ' ND2' ' A' ' 103' ' ' ASN . 7.3 mt-30 -61.87 -62.6 1.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -95.48 83.38 3.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.24 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -72.35 -4.22 28.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -65.83 -56.47 14.5 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.513 1.133 . . . . 0.0 111.045 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.456 HD12 ' O ' ' A' ' 89' ' ' GLY . 1.2 mt -71.11 -24.4 62.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 0.729 . . . . 0.0 109.345 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.43 ' HB3' ' NH1' ' A' ' 110' ' ' ARG . 13.0 mtp-105 -61.55 -52.67 63.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 110.334 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -65.6 -37.39 86.5 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.475 1.109 . . . . 0.0 110.279 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -63.28 -56.3 17.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.329 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.615 ' HA ' HD22 ' A' ' 116' ' ' LEU . 1.7 t80 -53.49 -35.39 60.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.412 ' OE1' ' HA ' ' A' ' 49' ' ' ASP . 23.9 mm-40 -58.98 -48.25 82.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -75.14 -54.63 6.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.326 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.661 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 0.0 OUTLIER -47.89 -42.37 26.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 1.021 ' CG ' HD13 ' A' ' 55' ' ' LEU . 75.0 t90 -62.41 -66.59 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 108.03 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.731 ' CD2' HG22 ' A' ' 41' ' ' ILE . 93.2 mt -41.47 -35.25 0.66 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.661 ' HB3' ' O ' ' A' ' 116' ' ' LEU . . . -55.68 -52.07 65.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.79 ' HB3' ' CE1' ' A' ' 71' ' ' HIS . . . -59.81 -34.96 73.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.502 ' CE2' ' CH2' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -75.97 -12.62 60.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 111.053 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -111.27 3.64 18.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.764 ' HB3' ' OE1' ' A' ' 74' ' ' GLN . . . -97.64 -4.21 37.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 79.2 mt -68.98 148.98 97.95 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.399 1.062 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.111 0 O-C-N 124.493 1.786 . . . . 0.0 110.998 179.999 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.873 0 N-CA-C 110.976 -0.432 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.25 -28.18 59.75 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.766 ' HA ' HD12 ' A' ' 136' ' ' ILE . 23.2 p-90 -67.66 -13.77 62.37 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.93 -10.56 50.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.4 27.25 4.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.979 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.766 HD12 ' HA ' ' A' ' 133' ' ' TRP . 96.7 mt -113.52 116.38 52.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.589 HD23 ' OD1' ' A' ' 176' ' ' ASN . 0.1 OUTLIER -134.8 156.34 49.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.309 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . 0.468 ' CG ' ' HA ' ' A' ' 144' ' ' TYR . 0.0 OUTLIER -71.31 116.09 11.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.436 1.085 . . . . 0.0 110.244 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . 0.455 ' O ' ' NE2' ' A' ' 138' ' ' GLN . . . -66.1 155.24 51.01 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.557 1.16 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.526 HD21 ' HB2' ' A' ' 180' ' ' GLU . 1.4 tm? -60.51 -40.34 91.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 0.78 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -111.82 40.42 2.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 110.342 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -114.58 154.92 46.62 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.306 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . 0.528 ' HB2' ' HB3' ' A' ' 146' ' ' ALA . 18.2 Cg_endo -74.99 84.35 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.504 1.791 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' TYR . . . . . 1.043 ' O ' HG23 ' A' ' 148' ' ' VAL . 45.7 t80 -38.13 -49.63 1.34 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.961 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' HIS . . . . . 0.44 ' CD2' ' C ' ' A' ' 145' ' ' HIS . 0.9 OUTLIER -56.42 -61.02 2.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.562 -179.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.528 ' HB3' ' HB2' ' A' ' 143' ' ' PRO . . . -54.69 -45.24 73.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . 0.497 ' CZ ' ' C ' ' A' ' 137' ' ' LEU . 77.4 t80 -55.03 -47.14 75.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 111.027 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 1.043 HG23 ' O ' ' A' ' 144' ' ' TYR . 67.6 t -51.14 -41.44 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.338 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . 0.566 ' O ' HD12 ' A' ' 153' ' ' ILE . 2.2 tp10 -64.29 -61.97 1.9 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 110.252 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -50.66 -31.46 16.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.308 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.668 ' O ' HD12 ' A' ' 155' ' ' LEU . 0.5 OUTLIER -63.48 -41.04 98.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -63.41 -49.44 73.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . 0.566 HD12 ' O ' ' A' ' 149' ' ' GLU . 4.0 mp -62.15 -67.8 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.544 1.152 . . . . 0.0 109.345 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -41.48 -29.65 0.17 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.133 . . . . 0.0 109.299 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 0.681 HD21 ' CD1' ' A' ' 172' ' ' LEU . 2.8 mt -71.17 -61.76 1.65 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -50.68 -22.58 2.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.577 1.173 . . . . 0.0 109.299 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.03 -24.11 67.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -146.42 36.99 1.24 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.536 1.147 . . . . 0.0 111.034 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.64 HD12 ' HB2' ' A' ' 165' ' ' LYS . 0.5 OUTLIER -121.31 113.86 32.16 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.76 . . . . 0.0 109.328 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 156.52 43.28 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.425 1.75 . . . . 0.0 111.017 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -74.31 -1.7 21.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.108 . . . . 0.0 110.303 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -104.37 18.22 45.5 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.509 1.13 . . . . 0.0 111.031 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 163' ' ' THR . . . . . 0.571 HG23 ' HD2' ' A' ' 164' ' ' PRO . 1.4 m -142.86 142.19 21.76 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.526 0.78 . . . . 0.0 110.373 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 164' ' ' PRO . . . . . 0.571 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.2 Cg_endo -74.97 128.8 11.79 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.522 1.801 . . . . 0.0 111.037 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 165' ' ' LYS . . . . . 0.64 ' HB2' HD12 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -111.65 -26.36 9.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . 0.511 ' N ' ' CD ' ' A' ' 167' ' ' PRO . 0.4 OUTLIER -50.91 -52.27 59.22 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 167' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 166' ' ' ASP . 18.1 Cg_endo -75.06 -38.15 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.559 1.82 . . . . 0.0 110.954 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -39.11 78.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 169' ' ' LEU . . . . . 0.413 ' CD1' ' HB3' ' A' ' 151' ' ' LEU . 13.1 tp -59.49 -64.98 0.75 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.425 1.078 . . . . 0.0 109.344 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 17.6 ptt85 -51.45 -21.07 2.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.408 1.068 . . . . 0.0 110.265 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 171' ' ' SER . . . . . 0.503 ' O ' ' CB ' ' A' ' 175' ' ' SER . 0.2 OUTLIER -80.98 -38.18 28.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.971 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.681 ' CD1' HD21 ' A' ' 155' ' ' LEU . 10.5 mt -74.76 -24.21 58.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 173' ' ' ALA . . . . . 1.019 ' O ' ' HB2' ' A' ' 177' ' ' ALA . . . -79.97 -44.75 19.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.567 1.167 . . . . 0.0 109.32 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 174' ' ' TYR . . . . . 0.446 ' O ' ' N ' ' A' ' 176' ' ' ASN . 6.6 t80 -95.32 -73.57 0.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.971 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 171' ' ' SER . 0.2 OUTLIER -38.4 -30.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.063 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 176' ' ' ASN . . . . . 0.589 ' OD1' HD23 ' A' ' 137' ' ' LEU . 4.2 m-80 -122.94 59.82 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 177' ' ' ALA . . . . . 1.019 ' HB2' ' O ' ' A' ' 173' ' ' ALA . . . -125.24 148.34 48.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.344 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 178' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 140' ' ' LEU . 0.7 OUTLIER -51.84 -177.25 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -73.61 -59.41 2.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.352 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . 0.526 ' HB2' HD21 ' A' ' 140' ' ' LEU . 0.7 OUTLIER -52.0 -36.21 49.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 110.213 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 181' ' ' CYS . . . . . 0.451 ' SG ' ' CD2' ' A' ' 144' ' ' TYR . 45.2 t -67.4 -65.13 0.73 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 0.0 108.249 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.88 -42.05 25.85 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.47 1.106 . . . . 0.0 110.255 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 15.5 ttpp -61.76 -34.73 76.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.451 1.094 . . . . 0.0 109.255 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.718 ' C ' HD23 ' A' ' 184' ' ' LEU . 2.5 tt -67.78 -60.76 2.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 185' ' ' LEU . . . . . 0.621 HD11 ' HE3' ' A' ' 198' ' ' MET . 4.7 mt -49.41 -52.35 29.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 186' ' ' GLN . . . . . 0.493 ' OE1' HG21 ' A' ' 191' ' ' THR . 1.8 mm100 -58.97 -52.57 65.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.332 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -55.87 -25.18 41.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 188' ' ' ARG . . . . . 0.463 ' HD3' ' CB ' ' A' ' 201' ' ' ALA . 0.0 OUTLIER -80.58 -23.54 39.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.328 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 64.48 67.79 1.91 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.545 1.153 . . . . 0.0 110.928 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 190' ' ' HIS . . . . . 0.621 ' CG ' ' O ' ' A' ' 190' ' ' HIS . 0.2 OUTLIER -171.09 37.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 0.773 . . . . 0.0 109.57 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 191' ' ' THR . . . . . 0.493 HG21 ' OE1' ' A' ' 186' ' ' GLN . 1.1 p -63.71 -47.69 80.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.354 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -82.59 59.64 4.79 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 193' ' ' SER . . . . . 0.548 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER -134.97 -179.34 1.05 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.991 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . 0.548 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.6 Cg_endo -74.94 176.44 9.89 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.473 1.775 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 195' ' ' LEU . . . . . 0.662 HD21 ' CG1' ' A' ' 148' ' ' VAL . 6.1 tp -72.86 -50.36 24.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 109.35 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -42.9 -45.96 6.01 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.465 1.103 . . . . 0.0 111.074 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -67.09 -35.9 80.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 0.768 . . . . 0.0 109.271 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 198' ' ' MET . . . . . 0.621 ' HE3' HD11 ' A' ' 185' ' ' LEU . 5.5 mmm -65.54 -23.03 66.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 199' ' ' LEU . . . . . 0.611 HD21 HG11 ' A' ' 148' ' ' VAL . 2.5 mm? -85.62 -22.87 27.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 200' ' ' ARG . . . . . 0.415 ' O ' ' CD ' ' A' ' 203' ' ' GLN . 5.8 ttm180 -86.16 -11.65 51.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.412 1.07 . . . . 0.0 110.311 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 201' ' ' ALA . . . . . 0.463 ' CB ' ' HD3' ' A' ' 188' ' ' ARG . . . -96.72 -35.57 10.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.345 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 202' ' ' CYS . . . . . 0.596 ' CB ' ' CD1' ' A' ' 144' ' ' TYR . 2.0 m -87.04 -12.55 46.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 108.309 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 203' ' ' GLN . . . . . 0.457 ' HG3' ' N ' ' A' ' 204' ' ' THR . 13.9 pt20 -45.35 -50.25 12.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 204' ' ' THR . . . . . 0.457 ' N ' ' HG3' ' A' ' 203' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.429 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.579 ' HG2' ' CE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.498 0.19 . . . . 0.0 110.942 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -84.17 161.51 20.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -66.12 -46.73 76.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.098 . . . . 0.0 111.032 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 19' ' ' ASP . 5.3 pttt -50.25 -47.37 55.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.582 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -58.53 -48.57 80.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.573 1.171 . . . . 0.0 109.339 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.797 ' HA ' HD12 ' A' ' 23' ' ' ILE . 1.9 mt -61.71 -34.65 76.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.65 -52.57 60.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.345 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.83 -33.15 48.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.797 HD12 ' HA ' ' A' ' 20' ' ' LEU . 67.6 mt -65.6 -46.31 89.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.6 tttm -49.94 -33.21 16.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.5 -71.65 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.56 ' CD ' HG23 ' A' ' 40' ' ' THR . 10.0 pt-20 -45.15 -30.2 1.1 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 110.256 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.616 HG13 ' HD2' ' A' ' 37' ' ' PHE . 38.7 t -73.07 -54.02 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -45.75 -36.38 5.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.086 . . . . 0.0 110.006 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.17 -36.81 84.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 110.313 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 27' ' ' VAL . . . -43.85 165.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.647 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -110.34 169.81 5.97 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.58 1.175 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.647 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.3 Cg_endo -75.0 115.22 4.22 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.484 1.781 . . . . 0.0 110.976 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 61.29 53.11 47.11 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.421 1.075 . . . . 0.0 111.021 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.99 158.8 74.16 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.533 0.784 . . . . 0.0 109.972 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.12 49.29 2.25 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.488 1.783 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -121.62 -59.24 1.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.616 ' HD2' HG13 ' A' ' 27' ' ' VAL . 11.5 t80 -59.61 -58.64 7.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.626 ' CE ' HD22 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -52.08 -49.61 63.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 111.001 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -50.29 -40.05 47.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.283 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.56 HG23 ' CD ' ' A' ' 26' ' ' GLU . 63.3 m -64.22 -29.59 70.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.423 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.62 HG22 HD21 ' A' ' 118' ' ' LEU . 3.8 mm -74.54 -40.03 48.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.445 1.091 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.607 ' HD2' HD13 ' A' ' 118' ' ' LEU . 1.8 mmm180 -66.59 -57.51 7.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 110.297 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.49 -29.29 24.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -84.11 -25.56 29.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.429 1.08 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.573 HG11 HD11 ' A' ' 118' ' ' LEU . 0.4 OUTLIER -73.52 -17.57 17.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -111.82 -64.46 1.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.309 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -44.85 -34.62 2.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.338 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.582 ' CE2' ' HB3' ' A' ' 19' ' ' ASP . 0.1 OUTLIER -101.79 -44.18 5.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.969 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.423 ' N ' ' HD3' ' A' ' 50' ' ' PRO . 2.7 t70 67.64 63.83 0.7 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.339 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.462 ' CD ' ' HA ' ' A' ' 45' ' ' VAL . 18.4 Cg_endo -75.01 163.08 36.02 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.562 1.822 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.5 p -113.66 -173.92 2.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.41 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.19 -37.35 54.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -68.66 -70.37 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 0.0 109.324 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -42.39 -31.48 0.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.985 HD13 ' CG ' ' A' ' 117' ' ' TRP . 20.0 mt -75.51 -48.09 24.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 53' ' ' LYS . 15.3 tp60 -49.02 -50.1 37.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 110.303 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.45 ' C ' ' N ' ' A' ' 59' ' ' LEU . 4.2 t70 -70.02 -63.3 1.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.561 HD13 HD23 ' A' ' 20' ' ' LEU . 29.0 tp -39.61 -29.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.45 ' N ' ' C ' ' A' ' 57' ' ' ASP . 20.5 tp -71.78 -55.28 7.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 57' ' ' ASP . 0.1 OUTLIER -87.78 23.55 1.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.306 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.402 ' OH ' ' O ' ' A' ' 20' ' ' LEU . 4.3 t80 -121.25 -38.84 2.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 111.033 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.462 ' HA ' HD23 ' A' ' 62' ' ' LEU . 1.3 mt -92.91 -59.34 2.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 68.5 m -81.1 -175.56 5.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 0.0 108.388 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.11 162.79 13.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 110.042 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.423 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 16.0 p -50.55 -41.69 54.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.002 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.7 tp -55.84 -66.18 0.47 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.53 HG13 ' CD1' ' A' ' 124' ' ' LEU . 2.8 t -45.76 -42.37 3.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 65' ' ' SER . . . -56.85 -51.88 67.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 68.5 p -57.39 -54.22 49.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 109.971 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 62.5 mt -50.69 -52.58 38.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.436 ' CD2' ' C ' ' A' ' 71' ' ' HIS . 0.2 OUTLIER -55.95 -43.91 77.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.625 179.926 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -54.91 -23.51 19.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.652 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -82.21 -71.84 0.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.275 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.668 ' OE1' ' HB3' ' A' ' 123' ' ' ALA . 1.7 pt20 -47.11 -33.05 4.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.583 1.177 . . . . 0.0 110.27 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.726 HD23 ' HB2' ' A' ' 120' ' ' ALA . 1.3 tm? -74.42 -48.15 29.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.347 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.8 -49.26 20.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.59 -44.4 96.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.954 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.533 HD23 ' CG ' ' A' ' 116' ' ' LEU . 0.4 OUTLIER -53.91 -48.71 69.88 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.506 HD12 ' CD2' ' A' ' 97' ' ' LEU . 11.0 mm -50.5 -51.46 18.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.428 1.08 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.56 -28.9 34.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.002 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -64.92 -40.31 94.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.436 ' O ' ' CG1' ' A' ' 87' ' ' ILE . . . -66.53 -57.66 6.83 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -56.42 -36.89 69.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.276 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.3 m -60.16 -45.1 94.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.42 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -72.02 -5.02 32.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.322 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 87' ' ' ILE . . . 86.52 -18.08 35.74 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.453 1.096 . . . . 0.0 111.004 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.652 HD12 ' CG ' ' A' ' 90' ' ' TYR . 13.6 mt 60.91 146.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 0.0 109.345 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.497 HG23 ' N ' ' A' ' 89' ' ' GLY . 3.1 t -45.5 -55.05 6.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.393 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.497 ' N ' HG23 ' A' ' 88' ' ' THR . . . -155.35 61.61 0.36 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.552 1.158 . . . . 0.0 110.961 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.652 ' CG ' HD12 ' A' ' 87' ' ' ILE . 23.9 t80 -78.45 156.25 29.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 0.796 . . . . 0.0 110.955 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -112.03 121.46 39.43 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.359 1.104 0 O-C-N 124.495 1.787 . . . . 0.0 111.07 179.94 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 111.069 -0.397 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.506 ' CD2' HD12 ' A' ' 79' ' ' ILE . 0.8 OUTLIER -48.61 -30.37 5.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.257 -179.926 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.443 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 21.3 ptt180 -58.14 -15.67 10.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 47.7 t -92.04 -59.56 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.274 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.535 ' OE1' HD13 ' A' ' 109' ' ' LEU . 3.5 pt20 -56.63 -17.93 10.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.098 . . . . 0.0 110.306 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.56 -43.35 66.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 98' ' ' ARG . 18.6 p30 -92.79 30.44 1.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -99.21 130.54 26.99 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 0.0 109.272 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 49.06 2.16 Favored 'Trans proline' 0 C--N 1.361 1.231 0 O-C-N 124.408 1.741 . . . . 0.0 111.019 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -137.34 -66.16 0.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.266 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.409 ' NE2' ' HG3' ' A' ' 100' ' ' GLN . 0.0 OUTLIER -80.03 113.82 18.49 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.409 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 8.9 tm0? -99.8 -25.0 14.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 110.342 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -69.29 -52.4 22.56 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.47 1.106 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.535 HD13 ' OE1' ' A' ' 100' ' ' GLN . 0.8 OUTLIER -66.1 -57.97 6.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 0.761 . . . . 0.0 109.298 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.495 ' C ' ' CD ' ' A' ' 110' ' ' ARG . 0.0 OUTLIER -41.1 -33.85 0.38 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.461 ' N ' ' HG3' ' A' ' 110' ' ' ARG . 0.0 OUTLIER -70.04 -46.75 64.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 110.263 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 109' ' ' LEU . 26.9 mm-40 -56.43 -45.76 80.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 110.241 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.552 ' HA ' HD22 ' A' ' 116' ' ' LEU . 10.9 t80 -57.52 -42.78 83.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 111.027 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -52.48 -51.79 57.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 110.356 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.65 -57.0 5.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 110.292 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.557 HD21 HD11 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -43.54 -35.21 1.6 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.477 1.11 . . . . 0.0 109.326 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.985 ' CG ' HD13 ' A' ' 55' ' ' LEU . 92.2 t90 -67.04 -53.65 29.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 108.011 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.626 HD22 ' CE ' ' A' ' 38' ' ' MET . 50.8 mt -53.81 -32.23 51.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' A' ' 116' ' ' LEU . . . -59.94 -52.09 66.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.726 ' HB2' HD23 ' A' ' 75' ' ' LEU . . . -59.2 -35.18 73.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.233 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -70.41 -33.98 71.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -91.6 3.12 55.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.585 1.178 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.668 ' HB3' ' OE1' ' A' ' 74' ' ' GLN . . . -97.98 4.48 49.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.53 ' CD1' HG13 ' A' ' 67' ' ' VAL . 36.3 mt -82.11 156.62 69.3 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.142 0 O-C-N 124.57 1.826 . . . . 0.0 110.952 -179.968 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.846 0 N-CA-C 110.968 -0.435 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.9 -10.46 59.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 110.022 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.872 ' HA ' HD12 ' A' ' 136' ' ' ILE . 41.8 p-90 -74.97 -25.18 58.67 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.99 -14.1 32.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.414 1.071 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 7.2 m -122.34 28.39 7.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.003 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.872 HD12 ' HA ' ' A' ' 133' ' ' TRP . 10.0 mt -116.14 119.35 61.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.591 ' O ' ' CZ ' ' A' ' 147' ' ' PHE . 0.3 OUTLIER -136.11 147.76 47.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . 0.468 ' CG ' ' HA ' ' A' ' 144' ' ' TYR . 0.0 OUTLIER -77.13 117.8 19.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.313 179.934 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . 0.441 ' O ' ' NE2' ' A' ' 138' ' ' GLN . . . -67.76 147.91 48.79 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.547 1.154 . . . . 0.0 110.986 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.521 HD21 ' HB2' ' A' ' 180' ' ' GLU . 1.9 tm? -55.67 -34.89 65.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 0.762 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -118.15 43.66 2.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -124.52 161.67 46.85 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.441 1.088 . . . . 0.0 110.337 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . 0.719 ' HB2' ' HB3' ' A' ' 146' ' ' ALA . 18.1 Cg_endo -75.04 104.99 2.0 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.441 1.758 . . . . 0.0 110.946 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' TYR . . . . . 0.468 ' HA ' ' CG ' ' A' ' 138' ' ' GLN . 27.0 t80 -60.64 -60.43 3.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.15 . . . . 0.0 110.975 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -47.38 -50.52 22.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.536 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.719 ' HB3' ' HB2' ' A' ' 143' ' ' PRO . . . -61.0 -27.87 68.63 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . 0.591 ' CZ ' ' O ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -76.16 -41.73 48.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 0.0 111.002 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.797 HG11 HD21 ' A' ' 199' ' ' LEU . 57.7 t -58.94 -47.13 90.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . 0.615 ' O ' HD12 ' A' ' 153' ' ' ILE . 1.2 tt0 -58.3 -53.52 57.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.368 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 1.3 mtm180 -59.07 -35.52 73.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.317 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.674 ' O ' HD12 ' A' ' 155' ' ' LEU . 0.9 OUTLIER -58.86 -40.49 84.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.575 1.172 . . . . 0.0 109.291 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . 0.403 ' HA ' ' CE ' ' A' ' 165' ' ' LYS . 27.0 t-20 -64.02 -45.53 88.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . 0.615 HD12 ' O ' ' A' ' 149' ' ' GLU . 1.8 mp -63.24 -67.62 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.49 1.119 . . . . 0.0 109.255 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -41.31 -30.74 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 0.769 HD11 ' CD1' ' A' ' 172' ' ' LEU . 3.6 mt -76.29 -50.15 15.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 153' ' ' ILE . 20.8 t70 -52.15 -21.48 3.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -92.29 -25.23 18.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.221 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 155' ' ' LEU . . . -134.56 53.42 0.78 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.496 1.123 . . . . 0.0 110.964 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.591 HD11 HG22 ' A' ' 163' ' ' THR . 0.2 OUTLIER -166.15 101.96 0.71 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.517 0.775 . . . . 0.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 167.48 26.94 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.454 1.765 . . . . 0.0 110.985 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 163' ' ' THR . 1.7 mt-10 -65.03 -55.36 19.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 110.346 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -38.03 -30.04 0.07 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.524 1.14 . . . . 0.0 110.991 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 163' ' ' THR . . . . . 0.591 HG22 HD11 ' A' ' 159' ' ' LEU . 1.2 m -100.02 142.49 24.71 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.469 0.747 . . . . 0.0 110.386 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 164' ' ' PRO . . . . . 0.571 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.2 Cg_endo -75.02 138.73 23.36 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.54 1.811 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 165' ' ' LYS . . . . . 0.596 ' HE2' HD13 ' A' ' 169' ' ' LEU . 0.0 OUTLIER -119.44 -41.1 2.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . 0.535 ' CB ' ' HD3' ' A' ' 167' ' ' PRO . 0.1 OUTLIER -38.65 -54.47 2.97 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 167' ' ' PRO . . . . . 0.535 ' HD3' ' CB ' ' A' ' 166' ' ' ASP . 18.4 Cg_endo -74.99 -47.39 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.489 1.784 . . . . 0.0 110.98 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 168' ' ' ILE . . . . . 0.43 ' CD1' HD21 ' A' ' 159' ' ' LEU . 0.0 OUTLIER -46.67 -29.15 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.572 1.17 . . . . 0.0 109.274 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 169' ' ' LEU . . . . . 0.799 HD23 HD22 ' A' ' 195' ' ' LEU . 4.0 tp -65.64 -63.28 1.13 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.512 1.133 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . 0.47 ' O ' ' CB ' ' A' ' 174' ' ' TYR . 0.9 OUTLIER -52.31 -34.88 48.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 110.279 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.05 -18.55 61.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 110.038 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.769 ' CD1' HD11 ' A' ' 155' ' ' LEU . 33.3 mt -91.95 -46.48 7.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.359 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -71.66 -6.34 40.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.08 . . . . 0.0 109.283 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 174' ' ' TYR . . . . . 0.47 ' CB ' ' O ' ' A' ' 170' ' ' ARG . 52.8 t80 -107.57 -69.0 0.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.29 -57.26 12.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.054 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 176' ' ' ASN . . . . . 0.552 ' HA ' HD23 ' A' ' 137' ' ' LEU . 94.3 m-20 -83.84 54.86 3.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 177' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 174' ' ' TYR . . . -135.7 140.3 44.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.561 1.163 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 178' ' ' ASN . . . . . 0.509 ' OD1' HD23 ' A' ' 140' ' ' LEU . 0.5 OUTLIER -51.57 -177.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.84 -65.09 0.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.254 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . 0.521 ' HB2' HD21 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -45.31 -33.79 2.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 181' ' ' CYS . . . . . . . . . . . . . 7.2 m -64.8 -69.8 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 108.315 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . 0.439 ' O ' ' NE2' ' A' ' 186' ' ' GLN . 0.6 OUTLIER -49.91 -40.49 43.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 110.27 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.27 -34.37 77.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.542 ' C ' HD23 ' A' ' 184' ' ' LEU . 2.1 tt -64.43 -58.44 6.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 185' ' ' LEU . . . . . 0.553 HD23 ' NE2' ' A' ' 190' ' ' HIS . 8.6 mt -50.42 -53.32 30.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 186' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 182' ' ' GLN . 1.0 OUTLIER -55.66 -53.31 58.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 110.235 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -49.16 -50.14 39.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 188' ' ' ARG . . . . . 0.471 ' HG3' ' CD2' ' A' ' 184' ' ' LEU . 0.0 OUTLIER -58.13 -21.64 47.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.336 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 189' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 186' ' ' GLN . . . 75.38 30.25 58.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.425 1.078 . . . . 0.0 111.011 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 190' ' ' HIS . . . . . 0.564 ' CE1' ' HB3' ' A' ' 197' ' ' ASP . 0.4 OUTLIER -138.67 107.79 6.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.429 0.723 . . . . 0.0 109.653 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 3.2 p -120.06 -53.4 2.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.391 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -86.46 48.15 1.58 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 193' ' ' SER . . . . . 0.528 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER -117.12 179.57 0.79 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.98 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . 0.528 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.4 Cg_endo -74.93 153.8 42.37 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.467 1.772 . . . . 0.0 111.064 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 195' ' ' LEU . . . . . 0.852 HD12 ' SD ' ' A' ' 198' ' ' MET . 6.7 tp -52.74 -43.08 65.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -44.54 -39.63 5.93 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.514 1.134 . . . . 0.0 111.099 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 197' ' ' ASP . . . . . 0.564 ' HB3' ' CE1' ' A' ' 190' ' ' HIS . 0.3 OUTLIER -73.5 -36.28 65.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 0.727 . . . . 0.0 109.245 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 198' ' ' MET . . . . . 0.852 ' SD ' HD12 ' A' ' 195' ' ' LEU . 90.1 mtp -65.58 -32.55 74.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 199' ' ' LEU . . . . . 0.797 HD21 HG11 ' A' ' 148' ' ' VAL . 3.6 mm? -80.62 -21.63 41.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.343 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.28 -10.95 51.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 110.313 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 201' ' ' ALA . . . . . 0.436 ' HB1' ' HG3' ' A' ' 188' ' ' ARG . . . -95.47 -37.91 10.69 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.413 1.071 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 202' ' ' CYS . . . . . 0.411 ' HG ' ' HD1' ' A' ' 144' ' ' TYR . 19.1 p -82.81 -21.13 34.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 108.288 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -39.14 -35.47 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.423 1.077 . . . . 0.0 110.247 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 5.1 t . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.378 1.049 . . . . 0.0 110.368 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.577 ' HG2' ' CE1' ' A' ' 48' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.261 0 CA-C-O 120.475 0.178 . . . . 0.0 110.957 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -177.8 148.55 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.57 1.168 . . . . 0.0 110.264 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.7 tpt -52.23 -25.76 10.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.9 pttt -80.02 -36.38 35.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -63.56 -43.49 96.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.69 HD21 ' HB2' ' A' ' 58' ' ' LEU . 24.8 mt -63.4 -44.47 94.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.73 -46.58 77.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.261 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.93 -50.28 71.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.37 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.636 ' O ' HG23 ' A' ' 27' ' ' VAL . 35.2 mt -49.75 -44.55 20.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -58.63 -32.33 68.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -74.16 -65.62 0.82 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 110.299 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.721 ' OE1' HG23 ' A' ' 40' ' ' THR . 4.2 pt-20 -52.72 -20.35 3.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.454 1.096 . . . . 0.0 110.264 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 23' ' ' ILE . 39.1 t -87.56 -49.49 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.6 m -48.79 -28.78 3.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.997 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.43 -31.98 48.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 110.272 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 27' ' ' VAL . . . -46.17 167.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.595 ' HB3' ' HB2' ' A' ' 34' ' ' SER . . . -101.64 163.81 17.11 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.356 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.489 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.4 Cg_endo -74.97 122.59 7.31 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.484 1.781 . . . . 0.0 111.027 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 55.6 41.64 82.38 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.533 1.146 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.595 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 3.1 m -123.85 157.06 64.38 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.524 0.779 . . . . 0.0 109.983 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 50.08 2.43 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.507 1.793 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -121.43 -49.19 2.16 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 110.267 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.616 ' CE1' HD11 ' A' ' 41' ' ' ILE . 1.5 t80 -66.77 -64.37 0.87 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 111.03 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.524 ' CE ' HD22 ' A' ' 118' ' ' LEU . 8.1 tpt -46.0 -39.82 9.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -58.7 -47.61 83.95 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.515 1.135 . . . . 0.0 110.272 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.721 HG23 ' OE1' ' A' ' 26' ' ' GLU . 1.5 m -57.82 -24.87 59.39 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.463 1.102 . . . . 0.0 110.32 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.733 HG22 HD21 ' A' ' 118' ' ' LEU . 6.9 mm -72.75 -56.22 10.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.085 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.19 -31.51 53.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.445 1.091 . . . . 0.0 110.265 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.574 HD12 HE22 ' A' ' 47' ' ' GLN . 0.0 OUTLIER -64.9 -51.62 60.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.09 -37.57 87.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.253 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.53 HG22 ' HD2' ' A' ' 50' ' ' PRO . 1.3 t -66.18 -26.96 39.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -90.08 -15.04 32.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 110.3 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.574 HE22 HD12 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -74.99 -71.23 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.233 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.577 ' CE1' ' HG2' ' A' ' 15' ' ' MET . 0.5 OUTLIER -116.01 -26.05 7.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.976 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.405 ' OD2' ' NE2' ' A' ' 114' ' ' GLN . 1.0 OUTLIER 74.37 96.66 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 0.0 109.334 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.53 ' HD2' HG22 ' A' ' 45' ' ' VAL . 18.3 Cg_endo -74.97 142.34 27.83 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.44 1.758 . . . . 0.0 111.022 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 63.7 p -79.25 -168.2 1.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.395 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.59 -31.62 72.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.281 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -70.95 -72.43 0.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.309 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -41.5 -36.48 0.89 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 109.259 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 1.072 HD13 ' CG ' ' A' ' 117' ' ' TRP . 12.4 mt -65.95 -51.04 62.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 53' ' ' LYS . 3.5 tp60 -51.48 -49.16 62.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.01 -62.19 1.56 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.69 ' HB2' HD21 ' A' ' 20' ' ' LEU . 12.8 tp -40.84 -38.9 1.01 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.591 1.182 . . . . 0.0 109.366 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.435 HD12 ' HE1' ' A' ' 121' ' ' PHE . 18.0 tp -57.95 -57.84 11.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.8 3.27 12.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.264 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.524 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 28.9 t80 -95.52 -18.59 20.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 75.1 mt -114.3 -69.14 0.88 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.339 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 9.1 p -70.04 -168.43 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 108.286 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.7 t -107.07 -164.31 0.97 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.964 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.2 m -77.24 -25.57 51.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.421 1.076 . . . . 0.0 109.9 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.3 tp -67.22 -70.47 0.25 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.2 t -50.32 -51.38 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -43.24 -39.66 3.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.279 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.9 m -74.92 -45.42 42.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.988 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 84.1 mt -52.89 -50.22 64.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.636 1.21 . . . . 0.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.685 ' CE1' ' HB3' ' A' ' 120' ' ' ALA . 0.6 OUTLIER -60.51 -40.56 91.87 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.479 1.112 . . . . 0.0 109.598 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -56.05 -24.85 42.23 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 0.0 109.524 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 76' ' ' ASP . 23.6 mt-30 -82.62 -72.45 0.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.329 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -45.53 -38.45 6.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.257 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.796 HD13 HD12 ' A' ' 79' ' ' ILE . 1.4 tm? -69.46 -37.44 77.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 73' ' ' GLN . 0.2 OUTLIER -57.37 -45.73 84.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.533 1.146 . . . . 0.0 109.336 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.54 -45.46 91.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.027 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.778 HD23 ' CG ' ' A' ' 116' ' ' LEU . 7.7 tp -51.26 -52.48 44.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 0.0 109.352 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.796 HD12 HD13 ' A' ' 75' ' ' LEU . 1.0 OUTLIER -62.54 -47.34 93.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.05 -35.47 1.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.007 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -75.84 -40.36 54.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.506 ' HB1' HG12 ' A' ' 87' ' ' ILE . . . -62.93 -64.38 0.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.58 -35.05 8.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.1 m -61.04 -40.34 93.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.416 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -81.65 -1.27 46.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 110.294 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.92 -7.96 61.43 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.6 1.187 . . . . 0.0 111.038 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.781 HG21 ' CD1' ' A' ' 109' ' ' LEU . 16.1 mt 55.56 169.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.447 0.734 . . . . 0.0 109.351 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.495 ' N ' HG22 ' A' ' 87' ' ' ILE . 61.5 p -46.08 -77.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 0.0 110.393 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.446 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -136.63 52.69 0.77 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.473 ' CG ' HD12 ' A' ' 87' ' ' ILE . 22.0 t80 -81.12 145.55 31.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 0.788 . . . . 0.0 111.028 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -111.78 98.49 41.63 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.186 0 O-C-N 124.492 1.785 . . . . 0.0 110.998 -179.978 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.482 ' HB2' ' CG2' ' A' ' 99' ' ' VAL . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.865 0 N-CA-C 110.999 -0.423 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.771 HD21 HG12 ' A' ' 79' ' ' ILE . 13.2 tp -120.86 -38.82 2.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 23.2 ptt-85 -77.22 0.6 21.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 110.259 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.482 ' CG2' ' HB2' ' A' ' 96' ' ' PRO . 32.0 t -86.19 -72.99 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -58.57 -16.28 15.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.595 1.184 . . . . 0.0 110.342 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.94 -22.34 65.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.262 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -98.92 2.48 46.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 18.2 t30 -84.84 133.78 42.92 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.323 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -17.88 19.19 Favored 'Trans proline' 0 C--N 1.358 1.073 0 O-C-N 124.503 1.791 . . . . 0.0 110.962 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -58.4 -59.08 5.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.337 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -101.87 57.62 0.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.275 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -55.82 -20.08 13.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.592 1.183 . . . . 0.0 110.373 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -54.93 -50.55 58.18 Favored Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.448 1.093 . . . . 0.0 111.036 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.781 ' CD1' HG21 ' A' ' 87' ' ' ILE . 0.5 OUTLIER -73.07 -46.49 51.32 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.448 0.734 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -45.87 -38.95 7.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 110.353 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.84 -60.23 2.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.333 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.56 -24.03 0.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -79.11 -46.75 17.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.405 ' NE2' ' OD2' ' A' ' 49' ' ' ASP . 25.6 mt-30 -51.73 -48.96 63.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 110.251 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.66 -49.33 69.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.246 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.839 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 0.0 OUTLIER -51.88 -40.13 60.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 1.072 ' CG ' HD13 ' A' ' 55' ' ' LEU . 90.1 t90 -56.4 -63.59 1.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 108.006 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.733 HD21 HG22 ' A' ' 41' ' ' ILE . 47.4 mt -44.64 -29.74 0.8 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.839 ' HB3' ' O ' ' A' ' 116' ' ' LEU . . . -58.48 -57.65 12.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.093 . . . . 0.0 109.329 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.685 ' HB3' ' CE1' ' A' ' 71' ' ' HIS . . . -59.41 -41.89 90.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.435 ' HE1' HD12 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -62.44 -14.62 42.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 111.062 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -117.33 4.59 12.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.334 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -98.81 -3.66 35.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.355 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 94.1 mt -63.12 148.36 92.95 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.359 1.122 0 O-C-N 124.568 1.825 . . . . 0.0 111.049 179.962 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . 0.547 ' HB3' ' CZ2' ' A' ' 133' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.891 0 N-CA-C 111.013 -0.418 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.33 -18.36 60.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 109.985 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.747 ' HA ' HD12 ' A' ' 136' ' ' ILE . 15.3 p-90 -75.58 -17.69 59.97 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.548 1.155 . . . . 0.0 108.005 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.99 -10.0 44.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.19 25.01 6.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.994 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.747 HD12 ' HA ' ' A' ' 133' ' ' TRP . 42.8 mt -117.41 117.61 55.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.573 1.17 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.467 ' CB ' ' HB3' ' A' ' 176' ' ' ASN . 0.2 OUTLIER -137.52 161.69 35.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.933 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -91.38 123.39 34.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.324 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -67.97 160.6 50.29 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.463 1.102 . . . . 0.0 111.048 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -61.88 -36.41 81.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 0.785 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -114.17 41.5 2.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 110.218 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -125.91 160.31 57.3 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.266 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.88 124.76 8.92 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.579 1.831 . . . . 0.0 111.016 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' TYR . . . . . 0.937 ' O ' HG23 ' A' ' 148' ' ' VAL . 38.2 t80 -85.78 -41.39 15.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' HIS . . . . . 0.461 ' C ' ' CD2' ' A' ' 145' ' ' HIS . 0.6 OUTLIER -59.43 -55.46 34.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.595 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -61.9 -29.49 70.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . 0.677 ' CE1' HD12 ' A' ' 151' ' ' LEU . 3.5 t80 -71.52 -29.03 64.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.937 HG23 ' O ' ' A' ' 144' ' ' TYR . 94.9 t -70.86 -36.89 66.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -65.19 -55.96 15.59 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.513 1.133 . . . . 0.0 110.319 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . 0.633 HH21 HG23 ' A' ' 136' ' ' ILE . 0.6 OUTLIER -59.59 -27.22 66.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.365 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.883 ' O ' HD12 ' A' ' 155' ' ' LEU . 1.2 mt -63.67 -41.63 98.16 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -66.58 -42.55 86.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.578 1.174 . . . . 0.0 109.267 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . 0.42 ' C ' ' N ' ' A' ' 155' ' ' LEU . 5.7 mt -64.56 -68.53 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -43.02 -27.77 0.22 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 0.883 HD12 ' O ' ' A' ' 151' ' ' LEU . 1.0 OUTLIER -75.33 -52.87 9.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -52.16 -20.31 2.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 109.374 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -85.04 -24.16 28.29 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 155' ' ' LEU . . . -143.88 57.2 0.54 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.555 1.159 . . . . 0.0 110.967 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.831 HD21 ' CD1' ' A' ' 168' ' ' ILE . 0.2 OUTLIER -156.46 99.35 2.1 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.51 0.771 . . . . 0.0 109.317 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 168.57 24.55 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.501 1.79 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 163' ' ' THR . 0.0 OUTLIER -64.3 -54.81 27.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 161' ' ' GLU . . . -36.89 -31.78 0.05 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.534 1.146 . . . . 0.0 111.042 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 163' ' ' THR . . . . . 0.648 HG22 HD11 ' A' ' 159' ' ' LEU . 1.0 OUTLIER -100.0 142.52 24.77 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.578 0.81 . . . . 0.0 110.399 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 164' ' ' PRO . . . . . 0.527 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.2 Cg_endo -75.04 153.0 41.28 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.517 1.799 . . . . 0.0 110.956 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 165' ' ' LYS . . . . . 0.423 ' NZ ' ' HB3' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -120.28 -40.76 2.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . 0.541 ' CB ' ' HD3' ' A' ' 167' ' ' PRO . 0.2 OUTLIER -41.96 -54.85 6.75 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.336 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 167' ' ' PRO . . . . . 0.541 ' HD3' ' CB ' ' A' ' 166' ' ' ASP . 18.6 Cg_endo -74.91 -55.59 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.559 1.82 . . . . 0.0 111.072 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 168' ' ' ILE . . . . . 0.831 ' CD1' HD21 ' A' ' 159' ' ' LEU . 0.0 OUTLIER -39.71 -38.01 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 169' ' ' LEU . . . . . 0.515 HD23 HD22 ' A' ' 195' ' ' LEU . 5.4 tp -64.32 -64.72 0.81 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.629 1.206 . . . . 0.0 109.231 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . 0.495 ' O ' ' CB ' ' A' ' 174' ' ' TYR . 66.8 mtm180 -52.19 -36.16 51.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 0.0 110.298 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.77 -27.92 67.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.964 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.798 ' CD1' HD11 ' A' ' 155' ' ' LEU . 17.9 mt -84.48 -42.4 15.62 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 173' ' ' ALA . . . . . 0.646 ' O ' ' HB2' ' A' ' 177' ' ' ALA . . . -77.13 -1.29 28.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 174' ' ' TYR . . . . . 0.495 ' CB ' ' O ' ' A' ' 170' ' ' ARG . 52.3 t80 -106.91 -75.8 0.63 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.51 1.131 . . . . 0.0 111.027 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.66 -45.59 70.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.97 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 176' ' ' ASN . . . . . 0.467 ' HB3' ' CB ' ' A' ' 137' ' ' LEU . 3.4 m-20 -100.13 60.73 1.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.445 1.091 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 177' ' ' ALA . . . . . 0.646 ' HB2' ' O ' ' A' ' 173' ' ' ALA . . . -136.8 65.9 1.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 178' ' ' ASN . . . . . 0.538 ' C ' ' O ' ' A' ' 177' ' ' ALA . 10.2 p-10 29.88 -147.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.477 ' N ' ' CG ' ' A' ' 178' ' ' ASN . 0.2 OUTLIER -114.26 -57.03 2.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.429 1.081 . . . . 0.0 109.255 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . 0.486 ' N ' ' ND2' ' A' ' 178' ' ' ASN . 0.0 OUTLIER -41.79 -28.02 0.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.322 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 181' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 184' ' ' LEU . 14.5 t -86.93 -67.28 0.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 108.335 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . 0.429 ' O ' ' NE2' ' A' ' 186' ' ' GLN . 7.6 mt-30 -39.24 -32.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.15 -47.66 17.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.582 1.177 . . . . 0.0 109.347 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.705 HD23 ' O ' ' A' ' 184' ' ' LEU . 2.7 tt -58.67 -50.23 74.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 185' ' ' LEU . . . . . 0.579 HD21 ' SD ' ' A' ' 198' ' ' MET . 4.3 mt -51.87 -60.25 3.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 186' ' ' GLN . . . . . 0.429 ' NE2' ' O ' ' A' ' 182' ' ' GLN . 0.9 OUTLIER -53.28 -53.72 46.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.439 1.087 . . . . 0.0 110.31 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -53.6 -34.6 59.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.86 -31.6 71.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 67.69 61.22 5.15 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.477 1.111 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 190' ' ' HIS . . . . . 0.556 ' NE2' HD23 ' A' ' 185' ' ' LEU . 0.9 OUTLIER -152.78 23.43 0.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 0.785 . . . . 0.0 109.571 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -53.14 -43.94 67.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 110.359 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -89.3 63.27 6.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 193' ' ' SER . . . . . 0.538 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER -146.11 179.85 1.09 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.038 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . 0.538 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.5 Cg_endo -75.03 175.25 11.5 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.477 1.777 . . . . 0.0 110.967 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 195' ' ' LEU . . . . . 0.515 HD22 HD23 ' A' ' 169' ' ' LEU . 6.0 tp -71.54 -40.96 69.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -42.92 -36.23 2.51 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.51 1.131 . . . . 0.0 110.959 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -78.96 -38.26 37.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.58 0.812 . . . . 0.0 109.354 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 198' ' ' MET . . . . . 0.579 ' SD ' HD21 ' A' ' 185' ' ' LEU . 67.8 mmm -51.65 -42.5 62.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 111.034 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 199' ' ' LEU . . . . . 0.639 HD21 HG11 ' A' ' 148' ' ' VAL . 2.6 mm? -80.25 -26.58 38.96 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.23 -7.43 57.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.261 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -100.69 -37.11 8.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.167 . . . . 0.0 109.352 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 202' ' ' CYS . . . . . . . . . . . . . 14.2 p -84.71 -14.25 48.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 108.34 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 203' ' ' GLN . . . . . 0.429 ' HG3' ' N ' ' A' ' 204' ' ' THR . 17.1 pt20 -49.41 -43.84 44.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 110.271 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 204' ' ' THR . . . . . 0.429 ' N ' ' HG3' ' A' ' 203' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 110.438 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.582 ' CB ' ' CD1' ' A' ' 48' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.499 0.19 . . . . 0.0 110.979 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.47 ' CG ' ' HG2' ' A' ' 18' ' ' LYS . 12.2 pt20 -156.3 -155.82 0.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.264 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.456 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -60.01 -57.82 11.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.47 ' HG2' ' CG ' ' A' ' 16' ' ' GLN . 0.5 OUTLIER -44.85 -33.59 2.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.395 1.059 . . . . 0.0 109.257 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.481 ' OD2' ' CD2' ' A' ' 48' ' ' PHE . 1.3 m-20 -77.45 -40.73 42.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.594 ' HA ' HD12 ' A' ' 23' ' ' ILE . 46.5 mt -68.49 -31.39 70.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.433 ' NE2' ' OH ' ' A' ' 61' ' ' TYR . 99.4 mm-40 -67.06 -47.76 70.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.55 -42.24 98.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.771 ' O ' HG23 ' A' ' 27' ' ' VAL . 32.0 mt -54.14 -54.45 20.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.7 ttpp -52.49 -29.66 26.07 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -70.57 -71.04 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.712 ' CD ' HG23 ' A' ' 40' ' ' THR . 3.7 pt-20 -49.51 -31.03 9.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.771 HG23 ' O ' ' A' ' 23' ' ' ILE . 59.8 t -68.07 -52.43 38.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.1 p -46.11 -33.41 3.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 1.172 . . . . 0.0 109.994 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -69.79 -37.59 76.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 110.277 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 27' ' ' VAL . . . -47.72 166.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.233 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.84 ' HB3' ' OG ' ' A' ' 34' ' ' SER . . . -104.7 163.22 17.66 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.471 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.4 Cg_endo -75.06 117.31 4.85 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 64.78 43.66 95.89 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.461 1.1 . . . . 0.0 110.989 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.84 ' OG ' ' HB3' ' A' ' 31' ' ' ALA . 56.6 p -129.5 156.71 78.18 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.464 0.743 . . . . 0.0 109.971 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 49.38 2.24 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.591 1.838 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 19.0 tp60 -121.53 -47.26 2.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.303 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.644 ' CD1' HG13 ' A' ' 27' ' ' VAL . 5.0 t80 -66.52 -65.44 0.68 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 111.026 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.626 ' CE ' HD22 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -47.23 -40.34 16.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -57.94 -39.97 79.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 110.323 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.712 HG23 ' CD ' ' A' ' 26' ' ' GLU . 1.1 m -65.85 -24.77 66.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 110.346 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.642 HG22 HD21 ' A' ' 118' ' ' LEU . 20.1 mm -70.65 -36.28 64.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.52 -33.74 64.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.249 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.2 tp -63.32 -34.27 77.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.492 ' HB1' ' CE1' ' A' ' 48' ' ' PHE . . . -80.14 -39.1 30.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.716 HG11 HD11 ' A' ' 118' ' ' LEU . 0.4 OUTLIER -71.54 -9.28 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? -109.3 -31.75 7.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -63.48 -61.45 2.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 110.251 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.582 ' CD1' ' CB ' ' A' ' 15' ' ' MET . 0.2 OUTLIER -119.33 -36.37 3.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.985 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 48' ' ' PHE . 6.4 t0 82.09 96.54 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.58 1.175 . . . . 0.0 109.351 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.446 ' HD2' HG23 ' A' ' 45' ' ' VAL . 18.3 Cg_endo -75.0 124.31 8.53 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.447 1.762 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 34.4 p -63.64 -177.01 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.389 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.64 -45.68 66.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.95 -61.88 2.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.352 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -47.16 -36.82 9.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.26 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.984 HD13 ' CG ' ' A' ' 117' ' ' TRP . 15.1 mt -68.3 -49.09 62.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.1 tp60 -50.76 -48.06 59.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.587 1.179 . . . . 0.0 110.287 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.416 ' C ' ' N ' ' A' ' 59' ' ' LEU . 0.4 OUTLIER -70.04 -56.95 5.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.563 ' HB2' HD21 ' A' ' 20' ' ' LEU . 21.1 tp -45.72 -25.97 0.57 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.416 ' N ' ' C ' ' A' ' 57' ' ' ASP . 39.9 tp -74.85 -53.28 9.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.93 23.55 2.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.208 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.433 ' OH ' ' NE2' ' A' ' 21' ' ' GLN . 42.4 t80 -119.4 -32.57 4.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.613 HD13 ' HE1' ' A' ' 37' ' ' PHE . 5.7 mt -97.71 -60.96 1.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.564 1.165 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.453 ' SG ' HG12 ' A' ' 67' ' ' VAL . 13.6 p -84.74 -174.69 5.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 108.352 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 13.6 t -94.02 -173.66 3.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.018 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.0 t -71.74 -31.81 67.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.965 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.0 tp -57.71 -67.56 0.32 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.453 HG12 ' SG ' ' A' ' 63' ' ' CYS . 2.2 t -50.14 -52.26 14.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -46.67 -37.9 9.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.216 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.1 p -72.69 -50.33 25.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.147 . . . . 0.0 110.033 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 71.5 mt -52.02 -53.08 46.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.493 ' ND1' ' HB3' ' A' ' 120' ' ' ALA . 0.4 OUTLIER -55.32 -43.0 74.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.081 . . . . 0.0 109.605 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -56.09 -22.4 27.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.646 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -81.13 -71.0 0.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.163 . . . . 0.0 110.358 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.408 ' OE1' ' O ' ' A' ' 120' ' ' ALA . 0.0 OUTLIER -49.37 -35.79 19.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.13 . . . . 0.0 110.288 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.539 HD23 ' HB2' ' A' ' 120' ' ' ALA . 1.2 tm? -72.11 -44.94 62.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -48.56 -49.1 37.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.079 . . . . 0.0 109.351 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.8 t -61.81 -37.13 83.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.978 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.906 HD23 ' HG ' ' A' ' 116' ' ' LEU . 12.3 tp -62.41 -41.59 98.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.076 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.76 HD13 HD11 ' A' ' 116' ' ' LEU . 18.4 mm -55.48 -52.94 41.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.5 t -51.28 -33.52 28.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.955 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -60.94 -43.88 98.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 110.283 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.884 ' HB1' HG12 ' A' ' 87' ' ' ILE . . . -67.73 -62.27 1.49 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -47.29 -33.89 6.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.1 m -65.68 -45.69 81.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 110.458 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -75.89 -3.54 35.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.254 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.69 -8.14 60.19 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.484 1.115 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.95 HG21 HD11 ' A' ' 109' ' ' LEU . 28.8 mt 57.11 163.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.56 0.8 . . . . 0.0 109.221 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.596 HG23 ' H ' ' A' ' 89' ' ' GLY . 1.6 t -49.51 -59.75 3.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.371 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.596 ' H ' HG23 ' A' ' 88' ' ' THR . . . -153.69 54.16 0.44 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.449 1.093 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.7 ' CG ' HD12 ' A' ' 87' ' ' ILE . 48.7 t80 -79.53 154.0 29.13 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 0.754 . . . . 0.0 110.982 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -110.57 99.05 39.7 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.129 0 O-C-N 124.573 1.828 . . . . 0.0 111.015 -179.954 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.452 -0.919 0 N-CA-C 111.064 -0.399 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.703 HD22 HG23 ' A' ' 79' ' ' ILE . 34.2 tp -120.37 -47.78 2.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.12 -26.58 67.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 45.5 t -61.92 -47.73 91.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.167 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 29.1 mp0 -69.08 -35.16 76.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 0.0 110.33 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.2 -36.11 76.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -81.62 -11.02 59.27 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.454 1.096 . . . . 0.0 109.266 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -81.32 125.34 79.29 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.05 47.08 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.501 1.79 . . . . 0.0 110.995 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -145.86 17.59 1.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.582 ' NE2' HD12 ' A' ' 109' ' ' LEU . 10.4 mm100 -143.55 61.59 1.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 110.291 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -30.48 69.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -65.96 -53.08 32.45 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.433 1.083 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.95 HD11 HG21 ' A' ' 87' ' ' ILE . 1.1 mt -71.37 -42.71 68.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 0.736 . . . . 0.0 109.242 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -48.11 -46.15 33.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 114' ' ' GLN . 61.3 mtt180 -69.88 -61.79 1.64 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 110.314 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.5 ' HG2' HD23 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -42.77 -27.12 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.588 1.18 . . . . 0.0 110.278 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.441 ' N ' ' HG3' ' A' ' 112' ' ' GLU . 7.2 t80 -76.72 -43.76 36.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 111' ' ' ARG . 53.4 mm-40 -52.26 -38.63 58.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.331 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -78.96 -59.08 2.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.087 . . . . 0.0 110.253 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.906 ' HG ' HD23 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -44.52 -37.31 3.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.19 -179.911 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.984 ' CG ' HD13 ' A' ' 55' ' ' LEU . 61.2 t90 -66.05 -60.22 3.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 107.977 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.716 HD11 HG11 ' A' ' 45' ' ' VAL . 74.7 mt -51.03 -25.44 4.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.103 . . . . 0.0 109.318 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.654 ' HB3' ' O ' ' A' ' 116' ' ' LEU . . . -62.45 -65.44 0.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.539 ' HB2' HD23 ' A' ' 75' ' ' LEU . . . -50.65 -45.04 57.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.579 ' CE2' ' CH2' ' A' ' 117' ' ' TRP . 0.4 OUTLIER -57.02 -31.54 65.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.155 . . . . 0.0 110.942 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -101.57 10.08 40.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.461 ' HB3' ' HA ' ' A' ' 120' ' ' ALA . . . -105.42 -0.07 26.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 82.4 mt -62.78 154.9 73.34 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.258 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.173 0 O-C-N 124.417 1.746 . . . . 0.0 111.016 179.991 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . 0.718 ' HG2' ' HB2' ' A' ' 134' ' ' ALA . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.882 0 N-CA-C 111.073 -0.395 . . . . 0.0 111.073 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 72.4 m -75.1 -29.44 60.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.013 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.815 ' HA ' HD12 ' A' ' 136' ' ' ILE . 29.3 p-90 -75.37 -13.11 60.38 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.554 1.159 . . . . 0.0 107.976 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.718 ' HB2' ' HG2' ' A' ' 131' ' ' PRO . . . -68.09 -9.43 46.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.133 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 71.0 m -131.28 31.13 4.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 109.964 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.815 HD12 ' HA ' ' A' ' 133' ' ' TRP . 97.0 mt -118.87 115.85 49.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.838 HD23 ' HB3' ' A' ' 176' ' ' ASN . 0.7 OUTLIER -136.26 162.28 33.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.574 1.171 . . . . 0.0 109.349 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . 0.475 ' CA ' ' OE1' ' A' ' 138' ' ' GLN . 4.9 tp60 -93.0 98.96 11.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 110.266 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . 0.472 ' O ' ' NE2' ' A' ' 138' ' ' GLN . . . -63.34 154.15 45.23 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.436 1.085 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.401 HD22 ' O ' ' A' ' 140' ' ' LEU . 2.3 tm? -66.38 -24.26 66.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 0.765 . . . . 0.0 109.307 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -117.04 40.71 2.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.271 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -139.99 159.6 63.77 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.235 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 110.27 3.08 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.475 1.776 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' TYR . . . . . 0.769 ' O ' HG23 ' A' ' 148' ' ' VAL . 19.4 t80 -71.69 -48.35 47.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' HIS . . . . . 0.451 ' C ' ' CD2' ' A' ' 145' ' ' HIS . 0.7 OUTLIER -52.09 -53.74 38.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.534 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -59.42 -40.03 85.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.233 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . 0.591 ' CZ ' ' O ' ' A' ' 137' ' ' LEU . 0.1 OUTLIER -58.62 -46.0 88.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 111.007 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.769 HG23 ' O ' ' A' ' 144' ' ' TYR . 25.3 t -54.81 -42.54 62.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -61.56 -60.77 3.19 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.135 . . . . 0.0 110.328 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . 0.584 ' HA ' HD12 ' A' ' 153' ' ' ILE . 0.0 OUTLIER -55.09 -26.9 41.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.343 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.463 ' HB3' ' CD1' ' A' ' 169' ' ' LEU . 1.3 mt -64.68 -53.31 49.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.577 1.173 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -57.85 -37.98 74.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . 0.584 HD12 ' HA ' ' A' ' 150' ' ' ARG . 39.2 mt -65.88 -69.67 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.354 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -43.87 -29.74 0.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.259 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 0.602 HD23 HD23 ' A' ' 159' ' ' LEU . 9.2 mt -74.17 -51.1 16.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -53.62 -20.19 4.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -115.04 24.55 11.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.248 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -173.27 33.13 0.11 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.506 1.128 . . . . 0.0 110.96 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.602 HD23 HD23 ' A' ' 155' ' ' LEU . 0.2 OUTLIER -148.23 109.19 3.67 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.748 . . . . 0.0 109.287 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 154.69 42.74 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.572 1.828 . . . . 0.0 111.072 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -66.13 -39.36 89.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 110.324 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -40.27 -32.65 0.44 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 163' ' ' THR . . . . . 0.413 HG23 ' HD2' ' A' ' 164' ' ' PRO . 0.6 OUTLIER -115.42 147.86 39.64 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.488 0.758 . . . . 0.0 110.391 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 164' ' ' PRO . . . . . 0.413 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.6 Cg_endo -74.92 147.82 34.82 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.536 1.808 . . . . 0.0 111.035 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.45 -30.32 7.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . 0.516 ' N ' ' CD ' ' A' ' 167' ' ' PRO . 0.2 OUTLIER -41.1 -51.92 7.39 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 167' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 166' ' ' ASP . 18.4 Cg_endo -74.96 -52.42 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.54 1.81 . . . . 0.0 110.981 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 168' ' ' ILE . . . . . 0.517 ' CD1' HD21 ' A' ' 159' ' ' LEU . 0.0 OUTLIER -45.91 -44.08 4.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.587 1.18 . . . . 0.0 109.344 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 169' ' ' LEU . . . . . 0.463 ' CD1' ' HB3' ' A' ' 151' ' ' LEU . 20.0 tp -63.26 -67.06 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . 0.43 ' HB3' ' NH1' ' A' ' 170' ' ' ARG . 10.5 ttp-105 -43.57 -28.84 0.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.362 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 171' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 175' ' ' SER . 0.2 OUTLIER -78.6 -49.42 13.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.99 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.661 HD21 ' HE3' ' A' ' 133' ' ' TRP . 35.7 mt -56.8 -24.78 53.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.565 1.166 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 173' ' ' ALA . . . . . 0.712 ' O ' ' HB2' ' A' ' 177' ' ' ALA . . . -87.91 -69.82 0.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 174' ' ' TYR . . . . . 0.466 ' O ' ' N ' ' A' ' 176' ' ' ASN . 14.1 t80 -66.6 -67.73 0.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 0.0 111.019 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 171' ' ' SER . 0.3 OUTLIER -37.53 -31.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.015 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 176' ' ' ASN . . . . . 0.838 ' HB3' HD23 ' A' ' 137' ' ' LEU . 38.4 m-20 -126.25 55.05 1.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 177' ' ' ALA . . . . . 0.712 ' HB2' ' O ' ' A' ' 173' ' ' ALA . . . -115.57 142.25 46.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 178' ' ' ASN . . . . . 0.632 ' ND2' ' H ' ' A' ' 181' ' ' CYS . 7.1 p-10 -53.54 -172.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.42 ' C ' ' N ' ' A' ' 181' ' ' CYS . 0.2 OUTLIER -76.09 -62.87 1.46 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -44.23 -25.2 0.21 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.543 1.152 . . . . 0.0 110.295 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 181' ' ' CYS . . . . . 0.632 ' H ' ' ND2' ' A' ' 178' ' ' ASN . 1.2 m -81.7 -69.04 0.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 108.327 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . 0.44 ' O ' ' NE2' ' A' ' 186' ' ' GLN . 4.5 mt-30 -43.2 -39.25 2.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -41.48 75.9 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.668 ' C ' HD23 ' A' ' 184' ' ' LEU . 3.0 tt -64.74 -57.66 8.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 185' ' ' LEU . . . . . 0.75 HD11 ' HE3' ' A' ' 198' ' ' MET . 5.4 mt -46.64 -49.87 18.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 186' ' ' GLN . . . . . 0.44 ' NE2' ' O ' ' A' ' 182' ' ' GLN . 0.9 OUTLIER -61.0 -62.05 2.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 110.279 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -47.56 -29.27 2.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.42 1.075 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 188' ' ' ARG . . . . . 0.53 HH12 HG21 ' A' ' 204' ' ' THR . 0.1 OUTLIER -72.23 -38.43 68.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.338 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 189' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 186' ' ' GLN . . . 75.75 57.67 4.07 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.5 1.125 . . . . 0.0 111.067 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 190' ' ' HIS . . . . . 0.584 ' NE2' HD23 ' A' ' 185' ' ' LEU . 0.8 OUTLIER -154.34 23.81 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 0.801 . . . . 0.0 109.606 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -51.77 -44.65 63.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.44 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -92.9 66.73 4.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.361 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 193' ' ' SER . . . . . 0.545 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER -145.54 -179.85 1.03 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.079 . . . . 0.0 109.971 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . 0.545 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.0 Cg_endo -74.99 171.72 17.77 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.502 1.791 . . . . 0.0 110.978 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 195' ' ' LEU . . . . . 0.562 HD21 ' CG1' ' A' ' 148' ' ' VAL . 9.7 tp -65.81 -39.58 91.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -45.15 -38.25 6.21 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.471 1.107 . . . . 0.0 111.049 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 197' ' ' ASP . . . . . 0.424 ' HB3' ' ND1' ' A' ' 190' ' ' HIS . 8.8 m-20 -76.77 -32.58 57.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 198' ' ' MET . . . . . 0.75 ' HE3' HD11 ' A' ' 185' ' ' LEU . 68.5 mmm -61.91 -47.47 84.79 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.439 1.087 . . . . 0.0 111.021 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 199' ' ' LEU . . . . . 0.661 HD21 HG11 ' A' ' 148' ' ' VAL . 2.1 mm? -74.69 -19.72 60.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.344 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.33 -10.08 53.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -99.06 -30.45 12.32 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.463 1.102 . . . . 0.0 109.347 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 202' ' ' CYS . . . . . . . . . . . . . 13.9 p -91.4 -14.57 30.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 108.341 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 203' ' ' GLN . . . . . 0.4 ' HG3' ' N ' ' A' ' 204' ' ' THR . 9.0 pt20 -46.64 -34.23 4.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.378 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 204' ' ' THR . . . . . 0.53 HG21 HH12 ' A' ' 188' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.406 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 6.5 p80 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 47.59 82.4 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.489 1.118 . . . . 0.0 109.602 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 62.98 141.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.492 1.12 . . . . 0.0 109.507 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -84.91 174.72 9.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.607 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 69.76 150.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 109.591 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.3 p -157.11 156.44 32.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.035 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 71.2 m -62.18 156.18 22.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.479 1.112 . . . . 0.0 109.967 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.36 120.1 4.61 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.55 1.156 . . . . 0.0 110.976 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 12.0 p-80 -177.18 100.28 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 0.732 . . . . 0.0 109.528 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 69.5 mt -97.86 128.86 48.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -108.64 -59.73 1.83 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.577 1.173 . . . . 0.0 110.276 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 72.48 173.17 21.57 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.496 1.123 . . . . 0.0 111.032 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.563 ' O ' ' CD2' ' A' ' 14' ' ' HIS . 0.1 OUTLIER -155.87 97.28 1.81 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 0.735 . . . . 0.0 110.283 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.769 ' CE1' HG21 ' A' ' 51' ' ' THR . 1.7 m170 -174.8 50.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.636 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.572 ' HG3' ' CZ ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER 52.23 100.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.164 . . . . 0.0 111.022 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.423 ' HG3' ' CG ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -80.27 -167.66 1.4 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.605 1.191 . . . . 0.0 110.235 -179.916 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.7 tpt -72.54 -57.39 4.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.423 ' CG ' ' HG3' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -47.61 -31.94 5.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.414 ' N ' ' HG3' ' A' ' 18' ' ' LYS . 38.1 m-20 -63.82 -43.64 95.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.517 HD21 ' HE1' ' A' ' 15' ' ' MET . 8.1 mt -71.29 -32.15 68.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 109.349 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 73.2 mm-40 -64.27 -41.99 96.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 110.336 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.29 -45.82 89.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.385 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.653 HG22 HD11 ' A' ' 62' ' ' LEU . 43.2 mt -57.35 -48.5 82.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.344 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.522 ' HA ' HD21 ' A' ' 62' ' ' LEU . 0.4 OUTLIER -49.48 -35.96 21.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 28' ' ' SER . 6.0 mt-30 -69.55 -72.74 0.18 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.51 1.131 . . . . 0.0 110.336 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.445 ' CG ' ' HA ' ' A' ' 23' ' ' ILE . 14.0 pt-20 -44.28 -26.32 0.31 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.544 1.152 . . . . 0.0 110.296 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.578 HG13 ' HD1' ' A' ' 37' ' ' PHE . 13.2 t -81.49 -43.85 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' GLN . 0.1 OUTLIER -51.25 -26.77 7.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 110.014 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.64 -37.57 56.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.38 166.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.446 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -107.07 162.98 17.93 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.411 1.069 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.446 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.2 Cg_endo -75.04 112.62 3.6 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.425 1.75 . . . . 0.0 111.047 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 72.45 49.35 20.01 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.428 1.08 . . . . 0.0 111.003 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.6 155.3 75.3 Favored Pre-proline 0 C--N 1.323 -0.545 0 O-C-N 124.518 0.775 . . . . 0.0 110.03 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 49.92 2.41 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.422 1.749 . . . . 0.0 110.966 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.5 tp60 -121.12 -47.25 2.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 110.336 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.578 ' HD1' HG13 ' A' ' 27' ' ' VAL . 3.6 t80 -66.12 -62.58 1.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.606 ' HE1' HD22 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -50.25 -47.05 55.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.96 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -53.36 -42.68 67.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.267 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.478 HG21 HG23 ' A' ' 27' ' ' VAL . 1.3 m -61.82 -26.14 67.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 110.37 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.676 HG22 HD21 ' A' ' 118' ' ' LEU . 20.1 mm -68.83 -49.68 61.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.374 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.532 ' HG3' HD13 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -59.54 -27.1 65.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.107 . . . . 0.0 110.354 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.1 tp -69.95 -40.66 75.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.226 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.15 -39.97 71.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.473 HG22 ' HD2' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -69.11 -31.44 50.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -86.35 -12.33 49.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 110.245 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -80.59 -72.45 0.41 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.572 ' CZ ' ' HG3' ' A' ' 15' ' ' MET . 9.4 p90 -113.15 -25.53 8.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.941 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.403 ' OD1' ' C ' ' A' ' 48' ' ' PHE . 1.4 m-20 72.79 93.92 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.473 ' HD2' HG22 ' A' ' 45' ' ' VAL . 18.4 Cg_endo -74.95 125.48 9.38 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.547 1.814 . . . . 0.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.769 HG21 ' CE1' ' A' ' 14' ' ' HIS . 43.5 p -58.84 -170.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.418 1.074 . . . . 0.0 110.36 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.7 -44.54 85.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.083 . . . . 0.0 109.273 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.19 -56.62 16.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -53.73 -49.6 67.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 1.024 HD13 ' CG ' ' A' ' 117' ' ' TRP . 13.6 mt -51.79 -41.45 61.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.85 -56.23 15.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.332 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -65.07 -51.5 61.09 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.412 1.07 . . . . 0.0 109.248 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.455 HD22 ' HE1' ' A' ' 15' ' ' MET . 21.1 tp -46.07 -32.2 2.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 36.8 tp -69.29 -50.34 47.69 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.486 1.116 . . . . 0.0 109.247 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.81 23.52 2.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.311 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.434 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 91.3 t80 -116.44 -52.94 2.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.575 1.172 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.653 HD11 HG22 ' A' ' 23' ' ' ILE . 10.1 mt -98.34 -58.22 2.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.469 ' HB3' ' CG1' ' A' ' 67' ' ' VAL . 22.9 m -59.22 171.06 0.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 108.328 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.28 171.44 9.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.976 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.561 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 40.6 t -58.17 -70.75 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.986 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.6 tp -45.3 -54.22 7.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.469 ' CG1' ' HB3' ' A' ' 63' ' ' CYS . 1.4 t -46.63 -45.59 7.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 65' ' ' SER . . . -52.06 -42.11 62.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.7 t -65.31 -60.36 3.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.018 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 89.7 mt -46.45 -47.82 19.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.746 ' NE2' ' HB3' ' A' ' 120' ' ' ALA . 65.8 t-80 -62.84 -46.34 88.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.619 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.81 -34.27 53.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.587 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -73.38 -36.1 66.02 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.445 1.091 . . . . 0.0 110.335 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -58.72 -56.46 21.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.143 . . . . 0.0 110.346 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.641 HD22 HD21 ' A' ' 116' ' ' LEU . 4.7 mt -54.42 -53.28 56.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.73 -36.16 0.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.14 -51.49 9.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 110.013 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.844 HD23 ' HG ' ' A' ' 116' ' ' LEU . 4.6 tp -49.34 -52.9 25.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.526 HG12 HD21 ' A' ' 97' ' ' LEU . 1.2 mp -56.94 -44.38 82.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.1 p -44.71 -35.2 2.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.991 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -77.45 -36.25 53.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 110.305 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.793 ' HB1' HG12 ' A' ' 87' ' ' ILE . . . -69.13 -69.36 0.34 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.234 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -44.94 -37.88 4.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.362 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.5 m -59.96 -42.89 95.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.379 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.47 -0.31 41.16 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.552 1.157 . . . . 0.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.7 -8.76 61.35 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.604 1.19 . . . . 0.0 111.043 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.837 HG21 HD11 ' A' ' 109' ' ' LEU . 37.0 mt 59.48 154.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 0.759 . . . . 0.0 109.322 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.676 HG23 ' H ' ' A' ' 89' ' ' GLY . 0.1 OUTLIER -36.3 -80.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.531 1.144 . . . . 0.0 110.431 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.676 ' H ' HG23 ' A' ' 88' ' ' THR . . . -134.56 54.34 0.76 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.475 1.109 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.454 ' CB ' ' HB ' ' A' ' 87' ' ' ILE . 35.6 t80 -81.18 163.75 22.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 0.765 . . . . 0.0 110.982 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.556 ' ND2' ' CD1' ' A' ' 93' ' ' LEU . 1.9 t30 -115.95 87.57 19.13 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -13.55 21.37 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.503 1.791 . . . . 0.0 110.959 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.865 HD22 ' C ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -76.17 -29.67 57.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 1.164 . . . . 0.0 109.279 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.784 ' N ' HD13 ' A' ' 93' ' ' LEU . . . -63.37 -66.67 0.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.446 ' N ' ' CD ' ' A' ' 96' ' ' PRO . . . 134.34 -53.99 0.77 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.503 1.127 . . . . 0.0 110.933 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.493 ' HB2' ' CG2' ' A' ' 99' ' ' VAL . 18.2 Cg_endo -75.03 162.48 36.98 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.439 1.757 . . . . 0.0 110.971 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.526 HD21 HG12 ' A' ' 79' ' ' ILE . 11.5 tp -120.65 -62.84 1.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.457 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 0.0 OUTLIER -46.05 -29.22 1.4 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 0.0 110.323 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.493 ' CG2' ' HB2' ' A' ' 96' ' ' PRO . 89.4 t -61.06 -44.99 99.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.475 ' CG ' ' OE1' ' A' ' 106' ' ' GLN . 21.8 mp0 -67.38 -32.79 73.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.95 -20.23 59.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.575 1.172 . . . . 0.0 109.338 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 98' ' ' ARG . 56.5 m-80 -102.74 1.24 34.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.245 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -80.35 125.01 82.08 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.612 1.195 . . . . 0.0 109.228 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 48.08 1.9 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 0.0 111.07 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -144.33 -45.43 0.25 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.475 ' OE1' ' CG ' ' A' ' 100' ' ' GLN . 28.6 mt-30 -79.65 108.94 13.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.302 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -103.19 -24.22 13.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 110.352 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -72.27 -48.35 25.42 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.55 1.156 . . . . 0.0 111.039 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.837 HD11 HG21 ' A' ' 87' ' ' ILE . 0.5 OUTLIER -75.85 -44.27 41.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 0.759 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.43 -46.43 37.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.16 -47.97 69.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -54.01 -35.72 62.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 110.234 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -67.27 -39.42 86.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.82 -46.45 84.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.289 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.43 -39.76 58.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.158 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.844 ' HG ' HD23 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -57.36 -44.57 84.49 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 1.024 ' CG ' HD13 ' A' ' 55' ' ' LEU . 48.2 t90 -61.47 -61.83 2.26 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.458 1.099 . . . . 0.0 108.068 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.676 HD21 HG22 ' A' ' 41' ' ' ILE . 85.2 mt -44.82 -31.44 1.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.734 ' HB3' ' O ' ' A' ' 116' ' ' LEU . . . -58.47 -59.02 6.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.746 ' HB3' ' NE2' ' A' ' 71' ' ' HIS . . . -61.22 -32.12 71.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.797 ' CE1' ' CZ2' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -67.04 -27.6 67.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -102.79 2.41 35.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.261 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -98.01 1.92 48.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 109.352 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.409 ' HA ' ' HD3' ' A' ' 125' ' ' PRO . 61.9 mt -73.49 147.39 87.22 Favored Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 124' ' ' LEU . 18.2 Cg_endo -75.05 56.61 4.34 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.601 1.842 . . . . 0.0 110.967 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 149.71 44.08 0.03 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.563 1.164 . . . . 0.0 111.0 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 12.8 t -129.49 40.45 3.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.428 0.722 . . . . 0.0 110.082 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -162.65 -164.22 0.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.59 -173.24 4.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -158.27 157.14 28.84 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.411 ' O ' ' HB3' ' A' ' 134' ' ' ALA . 18.4 Cg_endo -74.98 117.61 4.98 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.493 1.786 . . . . 0.0 111.031 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.81 -27.42 57.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.974 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.836 ' HA ' HD12 ' A' ' 136' ' ' ILE . 22.2 p-90 -73.03 -15.08 61.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.17 . . . . 0.0 107.968 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 131' ' ' PRO . . . -64.89 -11.86 42.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.64 34.48 3.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.021 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.836 HD12 ' HA ' ' A' ' 133' ' ' TRP . 53.2 mt -117.94 118.27 57.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.609 1.193 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -137.98 158.57 44.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.35 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.581 ' HG2' ' CD2' ' A' ' 147' ' ' PHE . 0.1 OUTLIER -74.08 117.74 16.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -66.78 150.41 51.92 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.587 1.18 . . . . 0.0 111.001 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.701 HD13 ' O ' ' A' ' 140' ' ' LEU . 1.6 tm? -59.54 -22.07 61.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 0.736 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -135.33 53.29 1.98 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.269 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -126.0 160.7 55.57 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.311 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . 0.587 ' HB2' ' HB3' ' A' ' 146' ' ' ALA . 18.1 Cg_endo -75.02 80.88 2.34 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.576 1.829 . . . . 0.0 110.969 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . 1.022 ' O ' HG23 ' A' ' 148' ' ' VAL . 30.6 t80 -36.84 -51.34 0.89 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 0.0 111.024 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . 0.456 ' HA ' HD12 ' A' ' 199' ' ' LEU . 1.2 t-160 -54.58 -57.9 9.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.601 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.587 ' HB3' ' HB2' ' A' ' 143' ' ' PRO . . . -58.45 -39.81 80.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . 0.615 ' CZ ' HD12 ' A' ' 151' ' ' LEU . 6.6 t80 -59.9 -48.29 82.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 111.044 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 1.022 HG23 ' O ' ' A' ' 144' ' ' TYR . 21.5 t -55.5 -45.99 78.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -55.77 -57.34 12.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.424 1.078 . . . . 0.0 110.278 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 153' ' ' ILE . 6.3 ttm105 -55.29 -52.48 63.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.291 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.718 ' O ' HD12 ' A' ' 155' ' ' LEU . 0.5 OUTLIER -41.02 -41.3 1.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . 0.516 ' OD1' HD22 ' A' ' 169' ' ' LEU . 3.9 t30 -64.58 -48.4 75.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.448 ' N ' ' O ' ' A' ' 150' ' ' ARG . 51.1 mt -63.54 -69.31 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 153' ' ' ILE . . . -39.64 -30.85 0.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 0.718 HD12 ' O ' ' A' ' 151' ' ' LEU . 2.5 mt -68.45 -63.97 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.342 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -49.62 -22.82 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . 0.403 ' N ' ' C ' ' A' ' 155' ' ' LEU . 0.6 OUTLIER -65.26 -24.57 67.35 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -150.39 43.57 0.72 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.541 1.151 . . . . 0.0 110.975 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.671 HD12 ' HB2' ' A' ' 165' ' ' LYS . 0.3 OUTLIER -122.43 102.72 39.14 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.536 0.786 . . . . 0.0 109.335 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 139.71 24.76 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.425 1.75 . . . . 0.0 111.043 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -50.22 -31.8 14.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -59.92 -23.3 58.99 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.491 1.12 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' THR . . . . . 0.627 HG23 ' HD2' ' A' ' 164' ' ' PRO . 1.5 m -114.45 143.23 29.47 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.491 0.759 . . . . 0.0 110.382 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' PRO . . . . . 0.627 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.2 Cg_endo -74.96 147.96 34.81 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.42 1.747 . . . . 0.0 110.99 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . 0.671 ' HB2' HD12 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -119.75 -39.82 2.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . 0.503 ' N ' ' CD ' ' A' ' 167' ' ' PRO . 0.5 OUTLIER -40.3 -51.97 5.99 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' PRO . . . . . 0.503 ' CD ' ' N ' ' A' ' 166' ' ' ASP . 18.3 Cg_endo -74.99 -55.26 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.552 1.817 . . . . 0.0 111.003 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . 0.403 HG21 HD22 ' A' ' 155' ' ' LEU . 0.0 OUTLIER -41.56 -40.67 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . 0.516 HD22 ' OD1' ' A' ' 152' ' ' ASN . 68.2 tp -63.02 -55.86 21.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 8.4 mtm180 -57.97 -17.75 19.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.286 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . 0.45 ' O ' ' CB ' ' A' ' 175' ' ' SER . 0.2 OUTLIER -87.49 -36.18 17.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 109.969 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.59 HD21 ' CE3' ' A' ' 133' ' ' TRP . 6.0 mt -78.74 -20.62 49.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.224 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . 0.55 ' O ' ' HB2' ' A' ' 177' ' ' ALA . . . -84.75 -33.99 22.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' TYR . . . . . 0.407 ' C ' ' N ' ' A' ' 176' ' ' ASN . 5.0 t80 -107.45 -73.27 0.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 171' ' ' SER . 0.1 OUTLIER -39.9 -31.55 0.12 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.055 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . 0.407 ' N ' ' C ' ' A' ' 174' ' ' TYR . 3.7 m-80 -117.26 60.31 0.76 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.419 1.074 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . 0.55 ' HB2' ' O ' ' A' ' 173' ' ' ALA . . . -126.31 140.0 52.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.554 1.159 . . . . 0.0 109.236 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 140' ' ' LEU . 0.7 OUTLIER -46.96 172.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.419 ' C ' ' N ' ' A' ' 181' ' ' CYS . 5.0 mtmm -61.13 -71.88 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . 0.403 ' HB2' HD21 ' A' ' 140' ' ' LEU . 0.1 OUTLIER -43.69 -26.4 0.24 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.261 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 184' ' ' LEU . 1.8 t -75.06 -65.09 0.92 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.558 1.161 . . . . 0.0 108.282 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -48.69 -33.98 11.09 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 110.314 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -71.35 -32.06 68.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.44 1.088 . . . . 0.0 109.218 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.631 HD11 ' HA ' ' A' ' 205' ' ' TRP . 2.8 tt -68.84 -56.2 8.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.249 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . 0.549 ' CD2' ' NE2' ' A' ' 190' ' ' HIS . 3.1 mt -49.19 -52.19 28.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.584 1.177 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 189' ' ' GLY . 0.8 OUTLIER -60.78 -57.77 11.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.233 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -51.01 -22.6 2.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.26 -28.86 26.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.082 . . . . 0.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 189' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 186' ' ' GLN . . . 64.76 61.26 6.04 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . 0.549 ' NE2' ' CD2' ' A' ' 185' ' ' LEU . 0.4 OUTLIER -154.86 29.45 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 0.732 . . . . 0.0 109.658 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 77.4 p -56.82 -61.74 2.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.425 1.078 . . . . 0.0 110.395 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -75.25 61.36 1.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.245 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 193' ' ' SER . . . . . 0.54 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER -140.78 -179.57 1.02 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.014 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . 0.54 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.1 Cg_endo -75.09 172.56 16.11 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.455 1.766 . . . . 0.0 110.981 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . 0.98 HD12 ' SD ' ' A' ' 198' ' ' MET . 9.8 tp -71.01 -40.01 72.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -45.92 -36.98 7.11 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.584 1.178 . . . . 0.0 110.936 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . 0.413 ' HB3' ' ND1' ' A' ' 190' ' ' HIS . 7.3 m-20 -75.08 -32.31 61.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 0.751 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 198' ' ' MET . . . . . 0.98 ' SD ' HD12 ' A' ' 195' ' ' LEU . 71.2 mtp -63.7 -37.56 87.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 199' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 145' ' ' HIS . 3.0 mm? -77.03 -24.03 52.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.19 -13.34 50.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.354 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -92.13 -29.82 16.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 202' ' ' CYS . . . . . 0.608 ' SG ' ' CD2' ' A' ' 144' ' ' TYR . 64.0 m -93.91 -21.07 19.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 108.282 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 203' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 202' ' ' CYS . 13.0 pt20 -38.15 -32.35 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 204' ' ' THR . . . . . 0.542 ' OG1' HG22 ' A' ' 206' ' ' THR . 4.6 t -114.47 -53.21 2.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.362 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 205' ' ' TRP . . . . . 0.631 ' HA ' HD11 ' A' ' 184' ' ' LEU . 5.1 t90 42.96 55.32 4.48 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 206' ' ' THR . . . . . 0.542 HG22 ' OG1' ' A' ' 204' ' ' THR . 5.8 t -169.46 138.7 1.65 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.405 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 207' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 206' ' ' THR . 18.2 Cg_endo -75.0 103.28 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.493 1.786 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 208' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.35 122.45 10.43 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.56 1.163 . . . . 0.0 109.286 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -117.93 126.52 52.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -178.94 146.1 0.3 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 109.269 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 66.3 p -134.86 98.11 3.94 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.495 1.122 . . . . 0.0 110.377 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.94 148.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 213' ' ' VAL . . . . . . . . . . . . . 7.1 p -109.65 150.54 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.321 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 214' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 24.4 p-80 -115.09 -55.52 2.46 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.477 1.111 . . . . 0.0 109.587 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 24.2 t60 71.7 -61.55 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.592 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -47.36 164.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.426 1.078 . . . . 0.0 109.546 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -138.32 -60.75 0.61 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.504 1.128 . . . . 0.0 109.627 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.44 161.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.4 168.72 9.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.588 1.18 . . . . 0.0 109.98 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -172.02 178.72 44.09 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.56 1.162 . . . . 0.0 110.959 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -154.87 167.42 30.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 0.753 . . . . 0.0 109.6 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.0 tp -166.19 153.71 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.332 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.79 -63.37 1.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.281 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 135.39 99.65 0.6 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.445 1.091 . . . . 0.0 110.943 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.571 ' O ' ' CD2' ' A' ' 14' ' ' HIS . 16.3 ttt85 -156.96 85.13 0.95 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 0.758 . . . . 0.0 110.29 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.571 ' CD2' ' O ' ' A' ' 13' ' ' ARG . 2.5 p-80 39.46 47.22 1.53 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 0.0 109.593 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.594 ' SD ' ' CZ ' ' A' ' 48' ' ' PHE . 1.3 tpt 178.46 85.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -98.05 163.32 12.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 110.278 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -43.68 -29.77 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 111.037 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.08 -56.02 25.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -50.58 -52.02 42.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.609 HD21 ' HB2' ' A' ' 58' ' ' LEU . 14.2 mt -58.78 -38.06 77.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.9 -55.19 37.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.41 ' O ' ' CD ' ' A' ' 26' ' ' GLU . . . -54.56 -41.58 69.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.561 HD12 ' HA ' ' A' ' 20' ' ' LEU . 48.5 mt -60.74 -50.71 79.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.339 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.732 ' HA ' HD21 ' A' ' 62' ' ' LEU . 2.6 tttp -56.28 -30.3 62.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -72.83 -72.44 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.579 1.175 . . . . 0.0 110.3 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.46 ' HG3' ' CG2' ' A' ' 40' ' ' THR . 1.0 OUTLIER -45.04 -31.53 1.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.822 HG23 HG21 ' A' ' 40' ' ' THR . 3.3 t -71.83 -54.95 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.66 -48.02 2.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.981 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -54.89 -43.33 73.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.324 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 36' ' ' GLN . . . -52.61 170.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.664 ' HB3' ' HB2' ' A' ' 34' ' ' SER . . . -114.96 163.38 19.87 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.466 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.2 Cg_endo -75.02 74.71 3.93 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.498 1.789 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 142.79 -26.12 2.24 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.524 1.14 . . . . 0.0 110.958 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.664 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -65.14 141.22 98.22 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.472 0.748 . . . . 0.0 110.005 -179.899 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 51.82 2.89 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.455 1.766 . . . . 0.0 110.939 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.469 ' HB3' ' CB ' ' A' ' 30' ' ' ALA . 2.2 tp60 -120.94 -44.84 2.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 110.292 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.7 ' CD1' ' HB2' ' A' ' 128' ' ' ALA . 4.2 t80 -61.26 -61.63 2.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.604 ' HE1' HD22 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -52.14 -45.07 64.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.997 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -55.85 -44.13 77.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 110.275 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.822 HG21 HG23 ' A' ' 27' ' ' VAL . 1.1 m -57.64 -30.05 65.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 110.385 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.764 HG22 HD21 ' A' ' 118' ' ' LEU . 5.2 mm -68.47 -42.66 83.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.37 -29.21 66.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.79 -32.05 72.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.421 1.075 . . . . 0.0 109.293 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -83.16 -36.0 25.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -71.96 -25.0 23.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -95.44 -14.4 23.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 0.0 110.322 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -79.41 -76.13 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.274 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.594 ' CZ ' ' SD ' ' A' ' 15' ' ' MET . 5.2 p90 -110.24 -22.32 11.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.965 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 71.5 95.14 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.246 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.01 118.95 5.45 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.475 1.776 . . . . 0.0 110.989 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 31.5 p -56.01 164.94 1.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.416 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.455 ' HB3' ' HB2' ' A' ' 98' ' ' ARG . . . -46.36 -36.26 6.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.583 1.177 . . . . 0.0 109.31 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -62.24 -59.15 5.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.233 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -54.65 -27.8 42.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.999 HD13 ' CG ' ' A' ' 117' ' ' TRP . 12.6 mt -70.09 -46.98 63.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.076 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -52.07 -48.2 64.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.406 ' C ' ' N ' ' A' ' 59' ' ' LEU . 1.1 t70 -70.77 -53.89 13.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.259 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.609 ' HB2' HD21 ' A' ' 20' ' ' LEU . 17.1 tp -48.1 -24.43 1.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.406 ' N ' ' C ' ' A' ' 57' ' ' ASP . 34.1 tp -76.98 -50.02 14.13 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.509 1.131 . . . . 0.0 109.258 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -89.13 22.25 2.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.563 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 58.4 t80 -120.18 -36.14 3.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.732 HD21 ' HA ' ' A' ' 24' ' ' LYS . 4.2 mt -91.98 -61.96 1.52 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.437 ' SG ' HG12 ' A' ' 67' ' ' VAL . 13.7 p -86.59 179.1 6.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 108.246 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.76 -162.59 0.79 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.123 . . . . 0.0 110.029 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 64.4 m -81.8 -37.2 27.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.011 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.2 tp -55.98 -62.46 1.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.465 HG13 HD13 ' A' ' 124' ' ' LEU . 2.7 t -51.11 -52.4 18.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.554 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -49.69 -36.14 24.11 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 p -71.79 -41.68 68.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.007 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 52.6 mt -61.69 -49.0 78.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.589 1.181 . . . . 0.0 109.303 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.9 -34.82 76.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.622 1.201 . . . . 0.0 109.565 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.554 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 19.8 m-70 -56.97 -36.11 69.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.414 1.071 . . . . 0.0 109.64 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -69.84 -53.54 17.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.085 . . . . 0.0 110.328 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.421 ' OE1' ' HB1' ' A' ' 123' ' ' ALA . 0.5 OUTLIER -56.65 -45.15 81.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.762 HD11 HD21 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -58.07 -45.99 86.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -55.39 -57.59 11.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.92 -29.39 65.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.069 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.873 HD23 ' HG ' ' A' ' 116' ' ' LEU . 2.1 tp -64.58 -68.3 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.538 HD12 HD13 ' A' ' 75' ' ' LEU . 1.3 mp -50.11 -43.98 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.0 t -46.38 -40.12 11.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.436 1.085 . . . . 0.0 109.982 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -74.58 -29.27 61.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 110.301 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.91 ' HB1' HG12 ' A' ' 87' ' ' ILE . . . -65.75 -60.74 2.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -53.86 -38.86 65.14 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.4 m -65.09 -48.08 74.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 110.435 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.25 -0.02 23.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 110.265 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 73.4 93.01 0.11 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.441 1.088 . . . . 0.0 110.898 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.91 HG12 ' HB1' ' A' ' 82' ' ' ALA . 62.8 mt -57.89 151.6 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.561 0.801 . . . . 0.0 109.303 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.65 HG23 ' H ' ' A' ' 89' ' ' GLY . 0.1 OUTLIER -38.76 -84.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.432 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.65 ' H ' HG23 ' A' ' 88' ' ' THR . . . -129.2 60.26 0.68 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.512 1.132 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -82.12 148.46 28.52 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.472 0.748 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.514 HD22 HD12 ' A' ' 93' ' ' LEU . 0.9 OUTLIER -112.6 96.24 35.82 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.413 1.071 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -28.46 9.16 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.511 1.795 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.87 HD13 ' H ' ' A' ' 94' ' ' ALA . 0.0 OUTLIER -56.59 -34.22 66.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 109.277 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.87 ' H ' HD13 ' A' ' 93' ' ' LEU . . . -65.38 -64.65 0.81 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.524 ' N ' ' CD ' ' A' ' 96' ' ' PRO . . . 124.14 -49.03 0.92 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.561 1.163 . . . . 0.0 110.948 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 95' ' ' GLY . 18.3 Cg_endo -75.04 160.7 39.71 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.412 1.743 . . . . 0.0 111.035 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.441 ' CD2' HG12 ' A' ' 79' ' ' ILE . 8.7 tp -120.77 -48.61 2.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.455 ' HB2' ' HB3' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -65.77 -16.63 63.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 110.323 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.481 ' CG2' ' HB2' ' A' ' 96' ' ' PRO . 81.8 t -73.75 -62.79 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -69.38 -6.78 32.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.273 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -83.16 -33.81 26.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.571 1.17 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.403 ' CG ' ' O ' ' A' ' 98' ' ' ARG . 1.7 m-20 -93.07 14.52 17.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.431 ' ND2' ' OE1' ' A' ' 105' ' ' GLN . 2.6 t30 -85.47 150.03 53.21 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -34.14 4.03 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.507 1.793 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.431 ' OE1' ' ND2' ' A' ' 103' ' ' ASN . 15.0 pt20 -71.35 -49.26 44.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.258 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.403 ' CD ' ' O ' ' A' ' 89' ' ' GLY . 7.0 mm100 -79.79 74.4 6.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.337 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -85.98 -16.66 37.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.227 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -69.37 -58.28 6.7 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.508 1.13 . . . . 0.0 111.049 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.867 HD11 HG21 ' A' ' 87' ' ' ILE . 0.5 OUTLIER -71.02 -18.53 62.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 0.739 . . . . 0.0 109.248 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 55.9 ttp180 -65.25 -56.32 13.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.304 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.418 ' HG3' ' N ' ' A' ' 112' ' ' GLU . 0.3 OUTLIER -69.01 -30.05 68.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.236 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.418 ' N ' ' HG3' ' A' ' 111' ' ' ARG . 27.6 tp10 -66.86 -42.61 85.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.261 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.655 ' HA ' HD22 ' A' ' 116' ' ' LEU . 2.4 t80 -64.11 -41.89 97.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -57.31 -40.52 78.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.289 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -76.63 -59.52 2.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 110.313 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.873 ' HG ' HD23 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -47.34 -33.69 6.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.568 1.167 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.999 ' CG ' HD13 ' A' ' 55' ' ' LEU . 84.6 t90 -66.54 -52.62 43.73 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.161 . . . . 0.0 108.023 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.764 HD21 HG22 ' A' ' 41' ' ' ILE . 87.0 mt -57.64 -26.11 61.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.112 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' A' ' 116' ' ' LEU . . . -62.93 -62.1 1.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.413 1.071 . . . . 0.0 109.254 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.664 ' HB3' HD23 ' A' ' 75' ' ' LEU . . . -59.42 -25.23 64.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.363 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.419 ' CZ ' ' CH2' ' A' ' 117' ' ' TRP . 0.2 OUTLIER -70.79 -38.49 73.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 0.0 110.97 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -94.66 0.15 54.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.113 . . . . 0.0 109.34 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.421 ' HB1' ' OE1' ' A' ' 74' ' ' GLN . . . -87.49 2.16 51.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.432 1.083 . . . . 0.0 109.302 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.556 HD12 ' HB2' ' A' ' 127' ' ' SER . 20.7 mt -81.02 157.45 71.28 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 53.71 3.43 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.515 1.797 . . . . 0.0 111.032 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 97.68 56.36 1.1 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.519 1.137 . . . . 0.0 111.023 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.635 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 30.0 t -44.76 148.48 0.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 0.766 . . . . 0.0 110.002 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.7 ' HB2' ' CD1' ' A' ' 37' ' ' PHE . . . 79.0 111.18 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 21.7 ttmt -166.38 144.24 5.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.451 1.094 . . . . 0.0 109.256 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 165.68 115.24 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.697 ' HG2' ' HB2' ' A' ' 134' ' ' ALA . 18.1 Cg_endo -75.02 149.87 37.22 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.451 1.764 . . . . 0.0 110.977 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.27 -29.39 57.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.978 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.808 ' HA ' HD12 ' A' ' 136' ' ' ILE . 15.7 p-90 -73.21 -11.61 60.58 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.697 ' HB2' ' HG2' ' A' ' 131' ' ' PRO . . . -66.7 -10.26 44.86 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.6 p -130.76 26.22 5.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.004 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.808 HD12 ' HA ' ' A' ' 133' ' ' TRP . 84.6 mt -114.52 116.19 51.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.217 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.405 ' HA ' ' CZ ' ' A' ' 147' ' ' PHE . 0.0 OUTLIER -143.1 160.86 39.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.275 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.453 ' HB2' ' CD2' ' A' ' 147' ' ' PHE . 2.7 tt0 -90.65 114.08 26.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.581 1.176 . . . . 0.0 110.282 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -71.46 168.0 51.48 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.436 HD21 ' HB2' ' A' ' 180' ' ' GLU . 2.0 tm? -63.38 -35.69 81.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 0.795 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -112.21 40.52 2.18 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.565 1.166 . . . . 0.0 110.242 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.96 152.26 66.28 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.14 . . . . 0.0 110.277 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . 0.413 ' HB2' ' HB3' ' A' ' 146' ' ' ALA . 18.2 Cg_endo -74.95 119.92 5.87 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.504 1.792 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . 0.977 ' O ' HG23 ' A' ' 148' ' ' VAL . 63.8 t80 -74.72 -54.83 6.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.577 1.173 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -47.99 -49.31 31.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.592 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.413 ' HB3' ' HB2' ' A' ' 143' ' ' PRO . . . -66.5 -44.36 82.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . 0.511 ' CE1' HG22 ' A' ' 136' ' ' ILE . 36.5 t80 -57.21 -43.75 83.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.977 HG23 ' O ' ' A' ' 144' ' ' TYR . 14.8 t -60.49 -51.42 73.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . 0.454 ' O ' HD12 ' A' ' 153' ' ' ILE . 0.6 OUTLIER -54.52 -54.25 43.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 110.312 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 37.2 ttt85 -59.0 -33.89 71.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.12 . . . . 0.0 110.368 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.463 ' HB3' ' CD1' ' A' ' 169' ' ' LEU . 0.9 OUTLIER -57.29 -47.75 80.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.257 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -58.35 -46.95 85.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.454 HD12 ' O ' ' A' ' 149' ' ' GLU . 1.2 mp -60.85 -68.41 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.359 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . 0.404 ' N ' HG22 ' A' ' 153' ' ' ILE . . . -45.5 -28.93 1.01 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 0.461 HD21 ' CD1' ' A' ' 172' ' ' LEU . 4.2 mt -69.31 -60.01 2.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -52.78 -21.27 3.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.594 1.183 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.2 -22.92 61.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.578 1.174 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . 0.425 ' O ' HD22 ' A' ' 159' ' ' LEU . . . -141.52 38.39 1.52 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.746 HD12 ' HB2' ' A' ' 165' ' ' LYS . 0.5 OUTLIER -126.1 114.97 23.96 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.553 0.796 . . . . 0.0 109.349 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 166.06 30.01 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.524 1.802 . . . . 0.0 111.032 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -77.85 -6.95 55.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.317 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -112.99 34.55 5.03 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.481 1.113 . . . . 0.0 110.961 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' THR . . . . . 0.551 HG23 ' HD2' ' A' ' 164' ' ' PRO . 1.3 m -145.92 141.59 16.85 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.47 0.747 . . . . 0.0 110.442 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' PRO . . . . . 0.551 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.4 Cg_endo -74.96 131.83 14.79 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.397 1.735 . . . . 0.0 111.041 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . 0.746 ' HB2' HD12 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -116.1 -37.54 3.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.337 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . 0.496 ' N ' ' CD ' ' A' ' 167' ' ' PRO . 0.4 OUTLIER -40.54 -52.26 6.24 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 166' ' ' ASP . 18.1 Cg_endo -75.07 -49.27 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.517 1.798 . . . . 0.0 111.018 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -45.96 -47.56 5.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . 0.463 ' CD1' ' HB3' ' A' ' 151' ' ' LEU . 34.6 tp -59.98 -53.27 59.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.41 1.069 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . 0.415 ' HD2' ' N ' ' A' ' 195' ' ' LEU . 1.1 tpp180 -54.45 -19.66 6.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.3 -56.5 3.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.135 . . . . 0.0 110.0 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.547 HD21 ' CE3' ' A' ' 133' ' ' TRP . 1.4 mt -64.13 -15.01 58.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.258 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -88.68 -30.6 19.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.223 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 174' ' ' TYR . . . . . 0.446 ' O ' ' N ' ' A' ' 176' ' ' ASN . 29.8 t80 -110.47 -78.39 0.59 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 110.984 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 174' ' ' TYR . 22.9 t -37.05 -32.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.03 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 174' ' ' TYR . 13.9 m-20 -110.74 57.74 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 174' ' ' TYR . . . -134.01 142.11 47.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . 0.619 ' ND2' ' H ' ' A' ' 181' ' ' CYS . 7.7 p-10 -52.28 -175.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.359 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 33.6 mtmt -78.44 -49.9 12.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.341 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . 0.436 ' HB2' HD21 ' A' ' 140' ' ' LEU . 25.2 tt0 -54.05 -36.34 62.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.31 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 181' ' ' CYS . . . . . 0.619 ' H ' ' ND2' ' A' ' 178' ' ' ASN . 19.1 t -69.94 -67.41 0.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 108.267 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -46.15 -43.35 14.98 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.553 1.158 . . . . 0.0 110.289 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 183' ' ' LYS . . . . . 0.561 ' O ' ' HB2' ' A' ' 187' ' ' ALA . 29.3 ttpt -62.44 -34.52 76.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.774 HD11 ' HA ' ' A' ' 205' ' ' TRP . 3.1 tt -66.48 -46.83 74.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . 0.461 HD11 ' HE2' ' A' ' 198' ' ' MET . 9.8 mt -61.3 -65.6 0.67 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.487 1.117 . . . . 0.0 109.232 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.13 -40.48 32.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.4 1.063 . . . . 0.0 110.288 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 187' ' ' ALA . . . . . 0.561 ' HB2' ' O ' ' A' ' 183' ' ' LYS . . . -58.75 -37.43 76.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . 0.426 ' HD2' ' HB1' ' A' ' 201' ' ' ALA . 0.5 OUTLIER -75.31 -3.67 34.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.319 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 60.58 39.84 97.04 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.557 1.161 . . . . 0.0 111.034 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . 0.621 ' CG ' ' O ' ' A' ' 190' ' ' HIS . 0.1 OUTLIER -150.04 102.58 3.12 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.549 0.793 . . . . 0.0 109.591 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 1.8 p -121.09 -54.86 2.0 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 110.439 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 192' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 193' ' ' SER . 5.1 t-20 -61.37 -22.3 64.82 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.475 1.11 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 193' ' ' SER . . . . . 0.495 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER -49.27 178.21 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.972 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . 0.495 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.2 Cg_endo -75.0 -167.73 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.441 1.759 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . 0.51 HD21 ' CG1' ' A' ' 148' ' ' VAL . 9.9 tp -85.04 -50.59 7.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.428 1.08 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -44.83 -34.96 4.16 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.452 1.095 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . 0.503 ' HB3' ' CE1' ' A' ' 190' ' ' HIS . 0.2 OUTLIER -69.16 -39.74 78.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.746 . . . . 0.0 109.325 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 198' ' ' MET . . . . . 0.509 ' SD ' HD12 ' A' ' 195' ' ' LEU . 72.5 mtp -66.23 -35.22 79.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 199' ' ' LEU . . . . . 0.753 HD21 HG11 ' A' ' 148' ' ' VAL . 4.0 mm? -74.11 -20.49 60.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.0 -17.26 33.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ALA . . . . . 0.426 ' HB1' ' HD2' ' A' ' 188' ' ' ARG . . . -90.85 -34.59 15.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.163 . . . . 0.0 109.209 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 202' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 203' ' ' GLN . 0.0 OUTLIER -87.81 -19.09 27.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 108.266 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 203' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 202' ' ' CYS . 9.9 pt20 -37.41 -39.47 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.277 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 204' ' ' THR . . . . . 0.439 HG23 ' N ' ' A' ' 205' ' ' TRP . 5.9 t -107.66 -49.96 3.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.405 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 205' ' ' TRP . . . . . 0.774 ' HA ' HD11 ' A' ' 184' ' ' LEU . 5.5 t90 43.72 59.61 3.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 107.984 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 206' ' ' THR . . . . . 0.422 ' HA ' ' HD3' ' A' ' 207' ' ' PRO . 1.1 t -166.99 136.78 2.37 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.429 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 207' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 206' ' ' THR . 18.3 Cg_endo -74.99 162.09 37.73 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.586 1.835 . . . . 0.0 110.958 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 208' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.44 135.96 0.45 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . 19.1 t70 175.57 142.36 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.44 1.087 . . . . 0.0 109.322 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.0 169.38 15.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.236 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 9.3 t -153.3 131.15 11.66 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.585 1.178 . . . . 0.0 110.402 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 64.01 86.31 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.333 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 213' ' ' VAL . . . . . . . . . . . . . 5.3 m -90.01 -41.63 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 109.312 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 214' ' ' LEU . . . . . . . . . . . . . 11.7 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 179.983 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 7.2 p80 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 22.7 p-80 -175.33 150.08 1.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.632 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 178.57 147.42 0.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.627 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 179.82 142.27 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.585 1.178 . . . . 0.0 109.524 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -175.21 159.74 2.59 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.489 1.118 . . . . 0.0 109.571 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -176.2 143.93 0.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.044 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 54.4 p -177.17 162.25 1.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.023 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 163.75 144.72 4.13 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.541 1.151 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -175.88 117.99 0.15 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 0.776 . . . . 0.0 109.604 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.1 mp -143.46 149.54 18.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -62.86 173.98 1.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -101.33 148.27 17.95 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.534 1.146 . . . . 0.0 110.974 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.405 ' O ' ' CG ' ' A' ' 13' ' ' ARG . 1.0 OUTLIER 177.07 66.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 0.762 . . . . 0.0 110.294 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER 40.33 49.16 2.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.569 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.554 ' HE1' HD21 ' A' ' 20' ' ' LEU . 1.6 ttt 46.91 98.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.988 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.8 pm0 -80.08 154.97 27.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 110.32 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.5 tpt -45.41 -34.21 2.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.5 ttpt -59.3 -43.1 92.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -55.97 -56.57 19.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.554 HD21 ' HE1' ' A' ' 15' ' ' MET . 37.4 mt -55.09 -41.93 72.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.262 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -58.0 -57.06 14.47 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.507 1.13 . . . . 0.0 110.287 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.67 -47.88 76.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.579 ' O ' HG23 ' A' ' 27' ' ' VAL . 68.3 mt -52.14 -49.95 37.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.485 ' HG3' ' CE2' ' A' ' 61' ' ' TYR . 0.0 OUTLIER -50.21 -34.91 24.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -70.71 -72.12 0.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.162 . . . . 0.0 110.222 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.926 ' OE1' HG23 ' A' ' 40' ' ' THR . 8.4 pt-20 -44.23 -26.84 0.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 23' ' ' ILE . 34.9 t -75.55 -49.71 26.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.3 m -44.55 -41.86 6.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 110.017 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -60.04 -37.31 79.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 110.315 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' A' ' 27' ' ' VAL . . . -44.91 166.76 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.23 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.665 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -109.33 170.0 5.85 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.665 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.4 Cg_endo -74.97 115.79 4.39 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.505 1.792 . . . . 0.0 111.019 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.65 59.12 11.37 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.496 1.122 . . . . 0.0 110.979 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -139.56 158.95 67.34 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.497 0.763 . . . . 0.0 110.008 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 48.57 2.06 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.528 1.804 . . . . 0.0 110.94 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.7 tp60 -121.85 -52.49 2.0 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.451 ' CE1' HD11 ' A' ' 41' ' ' ILE . 1.7 t80 -60.62 -60.63 3.49 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.652 ' HE1' HD22 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -51.77 -49.1 63.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 110.974 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -49.4 -46.39 47.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.274 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.926 HG23 ' OE1' ' A' ' 26' ' ' GLU . 3.6 m -57.72 -31.19 66.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.422 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.835 HG22 HD21 ' A' ' 118' ' ' LEU . 15.5 mm -64.66 -53.06 46.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -29.68 69.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.595 1.184 . . . . 0.0 110.331 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.528 HD13 ' O ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -66.54 -43.24 85.68 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.09 -29.82 64.49 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.491 HG22 ' HD2' ' A' ' 50' ' ' PRO . 1.2 t -71.72 -42.54 70.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -78.33 -9.29 59.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 110.29 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.443 ' CA ' ' OE1' ' A' ' 47' ' ' GLN . 0.1 OUTLIER -80.64 -70.35 0.53 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 110.364 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.433 ' O ' ' CB ' ' A' ' 49' ' ' ASP . 14.2 p90 -114.18 -30.61 6.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 111.043 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.433 ' CB ' ' O ' ' A' ' 48' ' ' PHE . 2.4 m-20 77.56 94.54 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.491 ' HD2' HG22 ' A' ' 45' ' ' VAL . 18.4 Cg_endo -74.89 133.35 16.66 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.537 1.809 . . . . 0.0 111.064 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.1 p -66.47 -174.94 0.32 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.539 1.149 . . . . 0.0 110.483 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.33 -41.64 97.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.414 ' HD2' ' ND2' ' A' ' 102' ' ' ASN . 9.6 mttt -63.08 -62.64 1.57 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -46.85 -40.49 14.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.233 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 1.086 HD13 ' CG ' ' A' ' 117' ' ' TRP . 12.2 mt -61.43 -41.76 97.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.365 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.05 -54.57 33.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.264 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -64.73 -47.02 79.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.336 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.551 HD22 ' HE1' ' A' ' 15' ' ' MET . 17.8 tp -51.86 -31.68 28.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.679 HD12 ' CB ' ' A' ' 63' ' ' CYS . 33.4 tp -67.03 -58.12 5.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.65 -10.34 26.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.598 1.186 . . . . 0.0 110.372 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.485 ' CE2' ' HG3' ' A' ' 24' ' ' LYS . 1.4 t80 -78.13 -55.22 5.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.085 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 19.7 mt -106.36 -62.2 1.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.679 ' CB ' HD12 ' A' ' 59' ' ' LEU . 1.4 m -46.26 112.12 0.45 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.429 1.081 . . . . 0.0 108.295 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.52 -179.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.048 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.43 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 7.1 t -59.57 -63.62 1.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.029 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.415 ' HG ' HD12 ' A' ' 70' ' ' LEU . 24.0 tp -56.78 -55.19 37.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.3 t -46.4 -46.16 6.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 65' ' ' SER . . . -53.46 -46.7 70.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.4 t -60.23 -60.79 3.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 110.025 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.451 ' O ' ' NE2' ' A' ' 74' ' ' GLN . 2.6 mt -46.82 -44.98 19.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.163 . . . . 0.0 109.343 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.463 ' CE1' ' HB3' ' A' ' 120' ' ' ALA . 5.8 t-80 -62.25 -48.53 79.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.577 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.87 -40.13 75.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.651 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.22 -62.11 2.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 110.34 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 70' ' ' LEU . 1.6 mp0 -55.25 -19.06 7.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.851 HD13 ' CD1' ' A' ' 79' ' ' ILE . 0.3 OUTLIER -77.09 -57.15 4.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -48.4 -45.9 36.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.7 t -67.13 -34.54 77.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.007 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.778 HD23 ' HG ' ' A' ' 116' ' ' LEU . 1.2 tp -58.09 -60.62 3.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.171 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.851 ' CD1' HD13 ' A' ' 75' ' ' LEU . 2.8 mp -48.05 -47.98 12.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.451 ' O ' ' CB ' ' A' ' 84' ' ' THR . 29.5 t -50.01 -30.54 10.84 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.549 1.156 . . . . 0.0 109.987 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -71.91 -48.71 43.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.53 ' HB1' ' CG1' ' A' ' 87' ' ' ILE . . . -57.78 -60.52 3.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.401 ' CG ' ' HA ' ' A' ' 80' ' ' SER . 0.0 OUTLIER -53.58 -43.0 68.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 110.301 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.451 ' CB ' ' O ' ' A' ' 80' ' ' SER . 2.1 m -57.76 -46.45 84.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.446 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.03 -0.97 20.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.36 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 62.38 75.58 0.31 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.426 1.078 . . . . 0.0 110.981 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.624 HD13 HD21 ' A' ' 109' ' ' LEU . 19.0 mt -40.95 155.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.531 0.783 . . . . 0.0 109.324 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.775 HG23 ' H ' ' A' ' 89' ' ' GLY . 0.0 OUTLIER -37.71 -70.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.4 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.775 ' H ' HG23 ' A' ' 88' ' ' THR . . . -140.52 60.97 0.56 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.467 1.104 . . . . 0.0 111.041 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.453 ' CB ' ' HB ' ' A' ' 87' ' ' ILE . 2.3 t80 -79.27 137.69 37.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 0.78 . . . . 0.0 111.01 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.559 ' CG ' HD12 ' A' ' 93' ' ' LEU . 3.6 t-20 -86.47 125.1 68.58 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 0.0 109.24 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -29.55 8.08 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.447 1.762 . . . . 0.0 111.016 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.975 HD13 ' N ' ' A' ' 94' ' ' ALA . 0.0 OUTLIER -63.84 -17.02 62.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.975 ' N ' HD13 ' A' ' 93' ' ' LEU . . . -97.94 52.39 1.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.255 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 94' ' ' ALA . . . -33.39 -54.62 0.59 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.55 1.156 . . . . 0.0 111.037 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.443 ' CD ' ' N ' ' A' ' 95' ' ' GLY . 18.2 Cg_endo -75.07 96.67 1.03 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.534 1.807 . . . . 0.0 110.984 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.811 HD22 ' CG1' ' A' ' 79' ' ' ILE . 6.4 tp -50.89 -36.98 40.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.445 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 10.9 ptt85 -58.61 -33.72 70.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.6 t -79.61 -32.51 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.62 ' HB2' ' HB1' ' A' ' 94' ' ' ALA . 0.0 OUTLIER -71.73 -54.78 9.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 110.287 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.647 ' HB2' ' CD2' ' A' ' 113' ' ' TYR . . . -49.17 -43.31 41.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 98' ' ' ARG . 90.5 m-20 -51.27 -25.57 5.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -79.68 131.7 63.57 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -23.74 13.48 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.461 1.769 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -59.61 -28.5 67.24 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.55 1.156 . . . . 0.0 110.339 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.418 HE21 HD12 ' A' ' 109' ' ' LEU . 17.9 mm100 -96.29 50.99 1.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.71 -45.9 49.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.28 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -56.23 -55.74 27.85 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.624 HD21 HD13 ' A' ' 87' ' ' ILE . 0.6 OUTLIER -63.61 -41.95 98.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 0.788 . . . . 0.0 109.329 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 11.8 ttt-85 -50.1 -36.69 30.56 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.11 . . . . 0.0 110.299 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.44 -53.68 10.1 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.518 1.136 . . . . 0.0 110.311 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -53.07 -36.32 60.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.168 . . . . 0.0 110.271 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.647 ' CD2' ' HB2' ' A' ' 101' ' ' ALA . 4.5 t80 -65.8 -46.09 79.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.988 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -53.41 -49.47 67.21 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.46 1.1 . . . . 0.0 110.3 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.07 -30.95 67.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.34 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.778 ' HG ' HD23 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -65.2 -39.84 93.38 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.443 1.089 . . . . 0.0 109.307 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 1.086 ' CG ' HD13 ' A' ' 55' ' ' LEU . 47.7 t90 -63.5 -63.52 1.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 108.004 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.835 HD21 HG22 ' A' ' 41' ' ' ILE . 80.4 mt -50.93 -27.23 7.13 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.624 ' HB3' HD21 ' A' ' 78' ' ' LEU . . . -64.45 -62.63 1.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.41 1.068 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.463 ' HB3' ' CE1' ' A' ' 71' ' ' HIS . . . -57.74 -26.36 61.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.515 ' CZ ' ' SG ' ' A' ' 63' ' ' CYS . 0.8 OUTLIER -71.88 -51.02 24.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -74.89 -2.59 27.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.344 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -83.93 -3.0 57.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 64.1 mt -73.06 157.73 88.08 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.584 1.177 . . . . 0.0 109.328 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 141.26 26.48 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.508 1.794 . . . . 0.0 111.039 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 53.66 20.15 11.54 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.495 1.122 . . . . 0.0 110.963 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.05 98.51 8.33 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.555 0.797 . . . . 0.0 109.936 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 62.37 107.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.49 -65.22 0.98 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.565 1.166 . . . . 0.0 109.258 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.438 ' CB ' ' CD ' ' A' ' 131' ' ' PRO . 0.3 OUTLIER -151.78 174.48 3.57 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.606 ' HG2' ' HB2' ' A' ' 134' ' ' ALA . 18.3 Cg_endo -75.08 162.17 37.36 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.435 1.755 . . . . 0.0 110.997 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.3 -34.2 65.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.983 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.769 ' HA ' HD12 ' A' ' 136' ' ' ILE . 21.9 p-90 -72.41 -13.66 61.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 108.062 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.606 ' HB2' ' HG2' ' A' ' 131' ' ' PRO . . . -63.17 -12.89 31.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.443 1.089 . . . . 0.0 109.279 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 29.2 t -134.82 36.87 3.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.98 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.769 HD12 ' HA ' ' A' ' 133' ' ' TRP . 54.5 mt -117.02 118.03 57.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.352 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.578 ' O ' ' CE1' ' A' ' 147' ' ' PHE . 0.2 OUTLIER -136.97 151.36 48.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.573 1.17 . . . . 0.0 109.277 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.561 ' HG3' ' CD2' ' A' ' 144' ' ' TYR . 0.0 OUTLIER -65.76 117.45 8.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.174 . . . . 0.0 110.295 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . 0.428 ' O ' ' NE2' ' A' ' 138' ' ' GLN . . . -71.21 149.8 46.29 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.538 1.149 . . . . 0.0 111.042 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.49 ' N ' ' ND2' ' A' ' 178' ' ' ASN . 1.7 tm? -61.53 -40.6 95.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.551 0.794 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -111.2 39.78 2.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -125.5 159.52 60.05 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 110.268 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . 0.58 ' HB2' ' HB3' ' A' ' 146' ' ' ALA . 18.5 Cg_endo -74.96 105.12 2.02 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.483 1.781 . . . . 0.0 111.045 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . 0.576 ' O ' HG23 ' A' ' 148' ' ' VAL . 5.0 t80 -55.74 -58.67 6.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . 0.498 ' C ' ' CD2' ' A' ' 145' ' ' HIS . 0.2 OUTLIER -49.05 -51.44 31.21 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.498 1.124 . . . . 0.0 109.681 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.58 ' HB3' ' HB2' ' A' ' 143' ' ' PRO . . . -58.09 -39.78 79.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . 0.578 ' CE1' ' O ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -62.75 -43.61 98.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.613 1.195 . . . . 0.0 110.947 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.706 HG11 HD21 ' A' ' 199' ' ' LEU . 46.3 t -60.29 -51.06 77.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . 0.584 ' O ' HD12 ' A' ' 153' ' ' ILE . 25.4 tt0 -53.2 -54.39 36.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 110.258 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 7.8 ttt-85 -59.34 -41.13 88.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 110.34 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.775 ' O ' HD12 ' A' ' 155' ' ' LEU . 1.0 OUTLIER -50.89 -38.23 48.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -67.69 -45.82 74.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.584 HD12 ' O ' ' A' ' 149' ' ' GLU . 1.5 mp -62.83 -69.63 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.334 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -41.94 -28.97 0.19 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.52 1.138 . . . . 0.0 109.341 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 0.775 HD12 ' O ' ' A' ' 151' ' ' LEU . 6.9 mt -73.68 -59.23 2.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -46.11 -24.79 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . 0.417 ' N ' ' C ' ' A' ' 155' ' ' LEU . 3.1 m-80 -78.12 -42.77 30.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 155' ' ' LEU . . . -125.85 50.33 0.88 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.512 1.132 . . . . 0.0 111.013 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.738 HD21 HD13 ' A' ' 168' ' ' ILE . 0.2 OUTLIER -156.52 101.94 2.02 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.452 0.736 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 157.88 42.6 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.417 1.746 . . . . 0.0 110.956 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 163' ' ' THR . 0.0 OUTLIER -60.5 -53.94 51.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.34 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 161' ' ' GLU . . . -37.64 -30.41 0.06 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.433 1.083 . . . . 0.0 110.916 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' THR . . . . . 0.704 HG23 ' HD2' ' A' ' 164' ' ' PRO . 2.0 m -96.31 145.27 29.27 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.77 . . . . 0.0 110.41 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' PRO . . . . . 0.704 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.1 Cg_endo -75.03 130.95 13.71 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.522 1.801 . . . . 0.0 110.928 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 1.2 tmpt? -111.03 -29.91 7.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . 0.513 ' N ' ' CD ' ' A' ' 167' ' ' PRO . 0.3 OUTLIER -47.26 -52.09 37.76 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 166' ' ' ASP . 18.4 Cg_endo -74.99 -48.02 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.491 1.785 . . . . 0.0 110.987 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . 0.738 HD13 HD21 ' A' ' 159' ' ' LEU . 0.3 OUTLIER -51.12 -41.84 24.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . 0.484 ' CD1' ' HB3' ' A' ' 151' ' ' LEU . 13.6 tp -64.3 -55.3 22.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 109.348 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 77.6 mtm-85 -59.1 -15.35 13.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.591 1.182 . . . . 0.0 110.252 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.63 -48.66 8.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 110.01 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.606 HD12 HD11 ' A' ' 155' ' ' LEU . 5.0 mt -68.72 -16.51 63.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . 0.698 ' O ' ' HB2' ' A' ' 177' ' ' ALA . . . -86.08 -50.21 7.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 174' ' ' TYR . . . . . 0.531 ' CE1' ' HG2' ' A' ' 182' ' ' GLN . 6.1 t80 -96.02 -69.54 0.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 1.2 t -38.91 -38.04 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.421 1.076 . . . . 0.0 110.096 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . 0.524 ' CB ' HD23 ' A' ' 137' ' ' LEU . 2.3 m-80 -110.4 54.83 0.66 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.505 1.128 . . . . 0.0 109.25 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . 0.698 ' HB2' ' O ' ' A' ' 173' ' ' ALA . . . -120.3 148.32 43.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.218 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . 0.49 ' ND2' ' N ' ' A' ' 140' ' ' LEU . 0.9 OUTLIER -54.31 -171.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -75.62 -57.27 3.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -62.2 -14.98 43.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.269 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 181' ' ' CYS . . . . . 0.455 ' CB ' ' HB1' ' A' ' 177' ' ' ALA . 64.0 m -78.92 -61.1 2.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 108.342 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . 0.531 ' HG2' ' CE1' ' A' ' 174' ' ' TYR . 54.6 mt-30 -54.19 -37.21 64.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.295 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -31.16 70.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.659 HD11 ' HA ' ' A' ' 205' ' ' TRP . 2.0 tt -67.41 -52.43 39.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . 0.639 HD11 ' CE ' ' A' ' 198' ' ' MET . 12.7 mt -59.43 -50.78 72.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . 0.418 ' NE2' ' O ' ' A' ' 182' ' ' GLN . 0.4 OUTLIER -56.71 -53.07 61.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.319 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -51.88 -39.82 59.62 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.452 1.095 . . . . 0.0 109.225 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.55 -14.09 60.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 68.91 16.59 70.59 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.523 1.139 . . . . 0.0 111.032 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . 0.573 ' CG ' ' O ' ' A' ' 190' ' ' HIS . 0.1 OUTLIER -126.53 106.41 9.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 0.758 . . . . 0.0 109.564 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 1.4 p -121.35 -51.26 2.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.351 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -88.36 49.16 1.74 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.265 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 193' ' ' SER . . . . . 0.516 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER -117.78 179.02 0.89 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.581 1.175 . . . . 0.0 109.981 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . 0.516 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.3 Cg_endo -74.99 164.62 33.02 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.522 1.801 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . 0.474 ' HG ' ' CD2' ' A' ' 199' ' ' LEU . 7.3 tp -60.43 -42.69 96.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.226 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -45.03 -44.23 8.99 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.522 1.139 . . . . 0.0 111.063 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . 0.536 ' HB3' ' CE1' ' A' ' 190' ' ' HIS . 0.1 OUTLIER -71.8 -31.2 66.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 0.0 109.317 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 198' ' ' MET . . . . . 0.639 ' CE ' HD11 ' A' ' 185' ' ' LEU . 36.4 mmm -68.42 -35.9 78.31 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 110.972 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 199' ' ' LEU . . . . . 0.706 HD21 HG11 ' A' ' 148' ' ' VAL . 3.8 mm? -78.37 -19.11 54.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.32 -20.12 32.58 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.453 1.096 . . . . 0.0 110.257 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -85.63 -45.52 11.64 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.567 1.167 . . . . 0.0 109.282 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 202' ' ' CYS . . . . . . . . . . . . . 16.9 p -75.85 -18.98 59.24 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.524 1.14 . . . . 0.0 108.316 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 203' ' ' GLN . . . . . 0.433 ' CG ' ' N ' ' A' ' 204' ' ' THR . 14.4 pt20 -39.42 -42.79 1.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.31 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 204' ' ' THR . . . . . 0.433 ' N ' ' CG ' ' A' ' 203' ' ' GLN . 3.2 t -107.55 -47.48 3.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.417 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 205' ' ' TRP . . . . . 0.659 ' HA ' HD11 ' A' ' 184' ' ' LEU . 4.8 t90 41.13 59.49 2.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 107.99 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 206' ' ' THR . . . . . 0.68 ' O ' HG23 ' A' ' 206' ' ' THR . 15.1 t -117.33 93.37 42.68 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.095 . . . . 0.0 110.44 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 73.94 4.13 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.473 1.775 . . . . 0.0 110.988 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 208' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.07 -178.84 3.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . 37.0 p-10 -138.38 135.23 35.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -120.81 178.23 4.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 15.3 t -99.02 -20.49 16.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.145 . . . . 0.0 110.4 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 4.5 mmtm 43.21 90.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.406 1.066 . . . . 0.0 109.284 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 213' ' ' VAL . . . . . . . . . . . . . 35.5 m -49.08 175.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.355 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 214' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 -179.975 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -123.14 149.2 44.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.622 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 36.2 m-70 -88.2 -63.13 1.35 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.596 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 66.08 105.47 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.566 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 53.8 m80 -92.45 134.48 34.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 109.63 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -172.16 94.34 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 110.024 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -153.18 159.79 42.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 109.926 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -169.04 166.2 39.52 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.448 1.093 . . . . 0.0 110.953 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -161.94 84.63 0.6 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 0.737 . . . . 0.0 109.559 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.5 mp -83.67 -64.02 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -136.14 132.74 36.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.275 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -122.16 168.99 14.77 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.417 1.073 . . . . 0.0 111.018 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.505 ' O ' ' CD2' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -130.3 137.21 49.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 110.273 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.505 ' CD2' ' O ' ' A' ' 13' ' ' ARG . 3.4 p-80 40.07 49.26 2.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.599 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.566 ' HG2' ' CZ ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER 175.21 77.35 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.603 1.19 . . . . 0.0 111.034 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.6 pm0 -79.92 155.24 27.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.257 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.76 -27.38 1.98 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 111.004 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -40.28 94.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -56.26 -55.87 27.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.148 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.823 ' HA ' HD12 ' A' ' 23' ' ' ILE . 4.3 mt -57.37 -39.37 75.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.399 1.062 . . . . 0.0 109.288 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.62 -48.39 79.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.332 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.62 -43.0 99.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.566 1.166 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.823 HD12 ' HA ' ' A' ' 20' ' ' LEU . 18.3 mt -57.41 -40.62 75.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.267 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -32.22 71.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.571 1.17 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.7 tm0? -71.22 -59.46 2.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 110.31 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.628 ' CD ' HG23 ' A' ' 40' ' ' THR . 4.1 pt-20 -60.6 -14.6 21.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 110.255 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.61 HG13 ' HD2' ' A' ' 37' ' ' PHE . 20.0 t -91.4 -26.99 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.247 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.5 t -70.8 -29.32 65.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.09 . . . . 0.0 109.969 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.33 -22.76 51.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 110.333 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.472 ' CB ' ' HB3' ' A' ' 36' ' ' GLN . . . -61.73 167.48 3.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.414 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -113.13 161.89 24.66 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.259 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.414 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.5 Cg_endo -74.93 112.07 3.47 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.467 1.772 . . . . 0.0 111.045 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.7 40.31 15.33 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.8 p -129.53 152.52 79.8 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.771 . . . . 0.0 109.982 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 51.31 2.72 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.49 1.784 . . . . 0.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.472 ' HB3' ' CB ' ' A' ' 30' ' ' ALA . 3.6 tp60 -121.16 -58.06 1.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 110.286 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.61 ' HD2' HG13 ' A' ' 27' ' ' VAL . 1.4 t80 -57.0 -54.34 47.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.414 1.071 . . . . 0.0 110.953 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.464 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 10.4 tpt -57.72 -54.15 50.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -46.86 -41.07 15.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.289 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.628 HG23 ' CD ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -60.64 -37.21 80.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 110.395 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.795 HG22 HD21 ' A' ' 118' ' ' LEU . 7.2 mm -60.83 -44.17 97.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -64.75 -31.78 73.16 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.46 1.1 . . . . 0.0 110.285 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.402 ' O ' HD13 ' A' ' 43' ' ' LEU . 0.4 OUTLIER -63.85 -41.11 97.88 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.486 1.116 . . . . 0.0 109.248 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.1 -42.83 65.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.342 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.506 HG11 HD11 ' A' ' 118' ' ' LEU . 0.9 OUTLIER -67.23 -18.35 23.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -102.61 -5.61 23.68 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 0.0 110.34 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -86.24 -70.43 0.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.566 ' CZ ' ' HG2' ' A' ' 15' ' ' MET . 0.3 OUTLIER -121.95 -4.78 9.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.998 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.7 t0 56.68 96.49 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.117 . . . . 0.0 109.24 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 128.78 11.77 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.459 1.768 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.9 p -56.96 -171.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.457 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.37 -51.97 25.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.585 1.178 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.454 ' CD ' ' OD1' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -50.48 -45.88 56.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.454 ' OD1' ' CD ' ' A' ' 53' ' ' LYS . 2.1 m-20 -58.21 -51.04 71.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.965 HD13 ' CG ' ' A' ' 117' ' ' TRP . 22.1 mt -53.14 -45.96 68.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -48.82 -48.19 41.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.238 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.4 ' C ' ' N ' ' A' ' 59' ' ' LEU . 5.1 t70 -70.62 -51.29 29.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.513 HD11 HD12 ' A' ' 62' ' ' LEU . 22.1 tp -50.19 -23.0 1.93 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.437 1.086 . . . . 0.0 109.275 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.4 ' N ' ' C ' ' A' ' 57' ' ' ASP . 53.9 tp -78.1 -51.71 9.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.613 1.195 . . . . 0.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -89.77 23.47 2.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.366 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.575 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 48.3 t80 -120.68 -41.53 2.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 110.969 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.515 ' HA ' HD23 ' A' ' 62' ' ' LEU . 3.5 mt -91.75 -51.78 5.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 95.8 m -93.01 -173.37 3.26 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.422 1.076 . . . . 0.0 108.334 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.85 179.27 4.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.973 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.512 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 31.3 t -60.37 -52.4 65.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 110.048 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 17.8 tp -44.55 -64.8 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.6 t -50.5 -45.07 25.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.239 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.512 ' HB3' ' O ' ' A' ' 65' ' ' SER . . . -52.43 -38.77 59.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.369 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.2 m -75.7 -45.26 37.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 110.05 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.413 ' O ' ' CB ' ' A' ' 73' ' ' GLN . 14.5 mt -53.67 -57.61 10.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.416 1.073 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.663 ' CE1' ' HB3' ' A' ' 120' ' ' ALA . 0.4 OUTLIER -52.15 -45.92 65.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.591 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -58.38 -17.17 18.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.577 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.413 ' CB ' ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -77.3 -67.22 0.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.467 ' OE1' ' CB ' ' A' ' 123' ' ' ALA . 0.3 OUTLIER -61.89 -27.86 69.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.423 1.077 . . . . 0.0 110.304 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.6 HD21 ' CD2' ' A' ' 116' ' ' LEU . 1.7 tm? -73.92 -53.14 10.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.387 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -45.32 -46.96 13.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.354 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.7 t -60.64 -43.0 98.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.989 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.905 HD23 ' HG ' ' A' ' 116' ' ' LEU . 13.3 tp -58.55 -39.71 81.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.915 HD12 ' CD2' ' A' ' 97' ' ' LEU . 50.6 mm -55.16 -55.26 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.75 -27.45 12.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.585 1.178 . . . . 0.0 109.995 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -66.79 -42.03 86.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.3 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.521 ' HB1' ' CG1' ' A' ' 87' ' ' ILE . . . -63.73 -55.73 21.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.546 ' HG2' ' CE2' ' A' ' 90' ' ' TYR . 6.3 mt-10 -58.8 -41.63 87.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.344 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.8 m -62.19 -45.63 92.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 110.391 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.5 -1.84 23.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.1 . . . . 0.0 110.316 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 64.6 84.37 0.08 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.483 1.114 . . . . 0.0 110.978 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.521 ' CG1' ' HB1' ' A' ' 82' ' ' ALA . 12.5 mt -51.28 166.34 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.533 0.784 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.504 ' N ' HG22 ' A' ' 87' ' ' ILE . 10.2 t -86.08 -49.46 7.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 0.0 110.388 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.44 ' N ' HG23 ' A' ' 88' ' ' THR . . . -119.82 66.48 0.41 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.564 1.165 . . . . 0.0 110.964 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.552 ' CD1' ' OE1' ' A' ' 100' ' ' GLN . 83.6 t80 -128.8 141.2 51.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.423 0.719 . . . . 0.0 110.951 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.657 ' ND2' HD12 ' A' ' 93' ' ' LEU . 0.5 OUTLIER -112.95 99.3 48.14 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -24.18 13.11 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.517 1.798 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.912 HD13 ' N ' ' A' ' 94' ' ' ALA . 0.0 OUTLIER -58.63 -34.8 71.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.158 . . . . 0.0 109.286 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.912 ' N ' HD13 ' A' ' 93' ' ' LEU . . . -65.95 -63.53 1.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.262 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.538 ' N ' ' CD ' ' A' ' 96' ' ' PRO . . . 124.64 -49.01 0.93 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.538 ' CD ' ' N ' ' A' ' 95' ' ' GLY . 18.2 Cg_endo -74.99 163.25 35.72 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.513 1.796 . . . . 0.0 111.034 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.915 ' CD2' HD12 ' A' ' 79' ' ' ILE . 18.4 tp -120.01 -47.09 2.4 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.41 -32.78 68.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.328 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 82.1 t -60.36 -39.78 81.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.441 1.088 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.552 ' OE1' ' CD1' ' A' ' 90' ' ' TYR . 41.6 mt-30 -72.59 -36.41 68.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.52 -16.91 58.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -71.1 -25.64 62.69 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.411 ' ND2' ' HA ' ' A' ' 100' ' ' GLN . 11.7 p30 -103.61 134.42 19.75 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.4 ' C ' ' N ' ' A' ' 106' ' ' GLN . 18.2 Cg_endo -75.1 -14.94 20.78 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.579 1.831 . . . . 0.0 110.968 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -41.66 -30.08 0.21 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.464 1.103 . . . . 0.0 110.234 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.4 ' N ' ' C ' ' A' ' 104' ' ' PRO . 1.8 pt20 -123.25 66.33 0.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.334 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.43 -20.55 2.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.249 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -58.52 -50.05 70.8 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.522 1.139 . . . . 0.0 111.022 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.789 HD23 ' CG ' ' A' ' 112' ' ' GLU . 1.3 mt -77.16 -41.4 41.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 0.739 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.7 ttm-85 -46.33 -43.24 15.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.584 1.178 . . . . 0.0 110.368 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 114' ' ' GLN . 0.0 OUTLIER -76.14 -63.08 1.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.357 179.899 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.789 ' CG ' HD23 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -42.5 -26.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.084 . . . . 0.0 110.296 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.415 ' N ' ' C ' ' A' ' 111' ' ' ARG . 22.5 t80 -79.2 -43.27 24.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.505 ' HG3' ' N ' ' A' ' 115' ' ' GLN . 0.0 OUTLIER -56.29 -26.93 53.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.244 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.505 ' N ' ' HG3' ' A' ' 114' ' ' GLN . 0.2 OUTLIER -88.11 -43.75 11.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.41 1.069 . . . . 0.0 110.267 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.905 ' HG ' HD23 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -60.43 -35.05 74.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.965 ' CG ' HD13 ' A' ' 55' ' ' LEU . 81.1 t90 -71.67 -55.78 7.06 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.795 HD21 HG22 ' A' ' 41' ' ' ILE . 85.0 mt -54.31 -22.19 11.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 116' ' ' LEU . . . -70.31 -52.0 26.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.663 ' HB3' ' CE1' ' A' ' 71' ' ' HIS . . . -63.9 -33.96 76.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.251 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.612 ' CE1' ' CH2' ' A' ' 117' ' ' TRP . 0.8 OUTLIER -65.97 -31.84 72.98 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.534 1.146 . . . . 0.0 110.954 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -96.53 0.26 49.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.467 ' CB ' ' OE1' ' A' ' 74' ' ' GLN . . . -91.01 0.61 57.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 109.353 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 56.5 mt -75.06 155.39 86.44 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.236 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 55.51 3.96 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.43 1.752 . . . . 0.0 111.061 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 133.62 -44.6 1.18 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.557 1.161 . . . . 0.0 111.008 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.562 ' O ' ' HB2' ' A' ' 128' ' ' ALA . 5.3 p 52.13 100.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.582 0.813 . . . . 0.0 110.011 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.562 ' HB2' ' O ' ' A' ' 127' ' ' SER . . . 171.59 -179.42 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -150.42 167.2 27.81 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -160.43 151.85 16.19 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.813 ' HG2' ' HB2' ' A' ' 134' ' ' ALA . 18.4 Cg_endo -74.98 163.23 35.78 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.491 1.785 . . . . 0.0 110.922 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 20.0 m -73.1 -36.8 66.84 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.452 1.095 . . . . 0.0 110.011 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.82 ' HA ' HD12 ' A' ' 136' ' ' ILE . 15.8 p-90 -70.32 -17.42 63.07 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.813 ' HB2' ' HG2' ' A' ' 131' ' ' PRO . . . -65.09 -11.0 34.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 97.2 p -123.06 21.4 9.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.055 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.82 HD12 ' HA ' ' A' ' 133' ' ' TRP . 28.0 mt -115.0 117.87 57.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.472 ' CB ' ' HB3' ' A' ' 176' ' ' ASN . 0.2 OUTLIER -137.59 162.08 34.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.465 ' NE2' ' O ' ' A' ' 139' ' ' GLY . 0.2 OUTLIER -85.46 119.21 25.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.375 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . 0.465 ' O ' ' NE2' ' A' ' 138' ' ' GLN . . . -76.02 143.16 29.49 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.48 HD22 ' HA ' ' A' ' 140' ' ' LEU . 1.4 tm? -50.42 -39.67 48.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 0.761 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -111.7 40.41 2.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.427 1.08 . . . . 0.0 110.31 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.407 ' HB2' ' CA ' ' A' ' 139' ' ' GLY . 0.4 OUTLIER -120.89 170.46 7.24 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.288 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . 0.828 ' HB2' ' HB3' ' A' ' 146' ' ' ALA . 18.3 Cg_endo -74.95 127.74 10.96 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.476 1.777 . . . . 0.0 110.991 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . 0.81 ' O ' HG23 ' A' ' 148' ' ' VAL . 2.4 t80 -76.48 -57.47 3.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 111.026 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . 0.439 ' CD2' ' C ' ' A' ' 145' ' ' HIS . 0.5 OUTLIER -59.13 -57.85 11.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.632 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.828 ' HB3' ' HB2' ' A' ' 143' ' ' PRO . . . -47.86 -46.64 31.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . 0.743 ' CZ ' HD12 ' A' ' 151' ' ' LEU . 3.2 t80 -56.48 -43.14 79.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 111.079 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 144' ' ' TYR . 48.7 t -63.34 -58.17 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -46.79 -43.95 18.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 153' ' ' ILE . 95.5 mtt180 -67.64 -58.59 4.4 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.537 1.148 . . . . 0.0 110.326 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.804 ' O ' HD12 ' A' ' 155' ' ' LEU . 0.4 OUTLIER -40.65 -34.68 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -71.29 -51.71 22.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.427 ' N ' ' O ' ' A' ' 150' ' ' ARG . 11.5 mt -59.2 -64.49 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.499 1.125 . . . . 0.0 109.327 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -45.69 -29.18 1.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 0.804 HD12 ' O ' ' A' ' 151' ' ' LEU . 3.5 mt -72.53 -59.7 2.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -51.39 -21.43 2.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -74.05 -28.33 61.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.103 . . . . 0.0 109.34 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . 0.541 ' O ' HD22 ' A' ' 159' ' ' LEU . . . -132.06 39.98 1.68 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.571 1.169 . . . . 0.0 110.991 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.541 HD22 ' O ' ' A' ' 158' ' ' GLY . 0.7 OUTLIER -131.76 119.26 17.01 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.467 0.745 . . . . 0.0 109.272 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -168.86 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.526 1.803 . . . . 0.0 111.046 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -102.0 -7.98 21.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.296 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -109.15 32.42 6.88 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.408 1.068 . . . . 0.0 111.004 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' THR . . . . . 0.645 HG23 ' HD2' ' A' ' 164' ' ' PRO . 1.7 m -146.08 143.53 19.58 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.51 0.771 . . . . 0.0 110.445 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' PRO . . . . . 0.645 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.2 Cg_endo -75.0 135.28 18.87 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.465 1.771 . . . . 0.0 111.006 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . 0.79 ' HZ1' HD22 ' A' ' 169' ' ' LEU . 0.0 OUTLIER -119.78 -40.2 2.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.348 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . 0.528 ' CB ' ' HD3' ' A' ' 167' ' ' PRO . 0.2 OUTLIER -39.5 -53.92 4.03 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' PRO . . . . . 0.528 ' HD3' ' CB ' ' A' ' 166' ' ' ASP . 18.4 Cg_endo -75.02 -49.55 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.43 1.753 . . . . 0.0 111.036 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -46.05 -38.36 3.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.267 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . 0.79 HD22 ' HZ1' ' A' ' 165' ' ' LYS . 14.0 tp -64.65 -63.84 1.02 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . 0.449 ' NH2' ' O ' ' A' ' 192' ' ' ASN . 27.2 mtp180 -49.42 -34.08 15.62 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.69 -28.47 64.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.024 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.731 ' CD1' HD11 ' A' ' 155' ' ' LEU . 18.2 mt -81.64 -50.62 9.11 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.476 1.11 . . . . 0.0 109.351 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . 0.628 ' O ' ' HB2' ' A' ' 177' ' ' ALA . . . -63.41 -14.93 55.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 174' ' ' TYR . . . . . 0.422 ' CB ' ' O ' ' A' ' 170' ' ' ARG . 71.6 t80 -100.4 -69.36 0.77 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 65.7 m -51.05 -40.82 59.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.044 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . 0.472 ' HB3' ' CB ' ' A' ' 137' ' ' LEU . 0.6 OUTLIER -99.3 55.72 1.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.082 . . . . 0.0 109.306 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . 0.7 ' HB1' ' HB3' ' A' ' 181' ' ' CYS . . . -129.43 122.81 30.14 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . 0.431 ' OD1' ' N ' ' A' ' 180' ' ' GLU . 4.2 p30 -46.58 171.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 181' ' ' CYS . 0.0 OUTLIER -51.62 -77.33 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.48 1.112 . . . . 0.0 109.243 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . 0.431 ' N ' ' OD1' ' A' ' 178' ' ' ASN . 0.1 OUTLIER -36.96 -32.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.078 . . . . 0.0 110.264 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 181' ' ' CYS . . . . . 0.7 ' HB3' ' HB1' ' A' ' 177' ' ' ALA . 0.5 OUTLIER -64.03 -68.03 0.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 108.333 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . 0.449 ' O ' ' NE2' ' A' ' 186' ' ' GLN . 18.1 mt-30 -53.72 -33.23 54.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.452 1.095 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 183' ' ' LYS . . . . . 0.532 ' O ' ' HB2' ' A' ' 187' ' ' ALA . 4.1 ttpp -71.68 -19.9 62.01 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.445 1.091 . . . . 0.0 109.326 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.658 HD11 ' HA ' ' A' ' 205' ' ' TRP . 5.2 tt -80.46 -60.29 2.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . 0.827 HD21 ' HG3' ' A' ' 198' ' ' MET . 9.1 mt -52.17 -55.41 21.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.16 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 182' ' ' GLN . 1.0 OUTLIER -54.74 -55.04 34.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 187' ' ' ALA . . . . . 0.532 ' HB2' ' O ' ' A' ' 183' ' ' LYS . . . -49.28 -36.62 21.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.426 1.079 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . 0.486 ' HG3' HD23 ' A' ' 184' ' ' LEU . 0.2 OUTLIER -73.24 -39.03 65.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.596 1.185 . . . . 0.0 110.33 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 77.72 63.21 2.24 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.485 1.115 . . . . 0.0 111.031 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . 0.82 ' NE2' HD23 ' A' ' 185' ' ' LEU . 7.5 p80 -155.46 32.85 0.37 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.754 . . . . 0.0 109.533 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 2.0 p -58.6 -51.52 69.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.35 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 192' ' ' ASN . . . . . 0.449 ' O ' ' NH2' ' A' ' 170' ' ' ARG . 7.7 t-20 -62.36 -34.23 76.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 193' ' ' SER . . . . . 0.449 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.3 OUTLIER -48.51 175.08 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.039 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . 0.449 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.2 Cg_endo -74.99 -168.71 0.54 Allowed 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.534 1.808 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 198' ' ' MET . 4.2 tp -83.83 -36.11 23.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -47.87 -43.87 23.91 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.489 1.118 . . . . 0.0 110.926 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . 0.421 ' HB3' ' ND1' ' A' ' 190' ' ' HIS . 0.5 OUTLIER -63.31 -28.04 69.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 0.769 . . . . 0.0 109.301 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 198' ' ' MET . . . . . 0.827 ' HG3' HD21 ' A' ' 185' ' ' LEU . 41.8 ttm -64.39 -49.57 71.07 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.461 1.101 . . . . 0.0 111.056 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 199' ' ' LEU . . . . . 0.489 HD21 HG11 ' A' ' 148' ' ' VAL . 3.2 mm? -63.39 -23.55 67.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.169 . . . . 0.0 109.332 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.16 -14.46 46.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ALA . . . . . 0.46 ' CB ' ' HD2' ' A' ' 188' ' ' ARG . . . -94.78 -34.76 12.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 202' ' ' CYS . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 144' ' ' TYR . 12.5 p -83.73 -25.37 30.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 108.313 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 203' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 202' ' ' CYS . 8.4 pt20 -35.02 -35.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 204' ' ' THR . . . . . 0.522 HG23 ' N ' ' A' ' 205' ' ' TRP . 6.2 t -112.88 -55.09 2.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.351 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 205' ' ' TRP . . . . . 0.658 ' HA ' HD11 ' A' ' 184' ' ' LEU . 6.1 t90 53.93 49.74 18.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 107.995 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 206' ' ' THR . . . . . 0.614 HG23 ' O ' ' A' ' 205' ' ' TRP . 11.6 p -158.53 161.64 28.11 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.346 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 117.38 4.9 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.415 1.744 . . . . 0.0 111.019 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 208' ' ' LYS . . . . . . . . . . . . . 14.1 mttm -147.6 118.71 7.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -92.14 -53.6 4.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 109.331 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.79 162.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 13.7 m 61.13 140.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 0.0 110.401 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.45 148.39 42.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 213' ' ' VAL . . . . . . . . . . . . . 64.0 t -97.74 145.04 10.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 214' ' ' LEU . . . . . 0.606 HD13 ' O ' ' A' ' 214' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.567 1.167 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 34.9 m80 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.605 -0.516 . . . . 0.0 109.605 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -66.43 130.99 45.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.577 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.421 ' O ' ' CD2' ' A' ' 3' ' ' HIS . 17.7 p-80 -139.05 117.04 11.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.579 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 7.9 p-80 -161.52 162.39 30.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.645 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -144.45 157.27 44.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 0.0 109.622 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.1 122.07 23.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 109.996 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 80.1 p -153.92 148.93 26.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 110.029 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -113.11 -109.48 2.94 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.535 1.147 . . . . 0.0 111.003 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.8 p-80 -136.65 175.26 9.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 0.759 . . . . 0.0 109.558 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.0 tt -161.28 -49.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 0.0 109.268 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -146.35 156.8 43.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 110.331 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 124.42 -95.67 0.5 Allowed Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.461 1.1 . . . . 0.0 111.036 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? 54.9 102.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 0.727 . . . . 0.0 110.307 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.596 ' N ' ' CD2' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -155.28 46.31 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.623 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.576 ' HE3' ' CZ ' ' A' ' 48' ' ' PHE . 1.7 ttt 179.41 130.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 111.032 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 34.9 tp60 -84.87 131.21 34.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 110.271 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.79 -41.38 15.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.85 -31.87 29.57 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -61.73 -51.65 67.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.314 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.449 HD21 ' HE1' ' A' ' 15' ' ' MET . 11.9 mt -59.21 -33.36 70.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.69 -52.02 54.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.31 -44.86 95.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.892 HG22 HD11 ' A' ' 62' ' ' LEU . 56.1 mt -52.41 -54.85 13.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.877 ' HA ' HD21 ' A' ' 62' ' ' LEU . 6.8 tttm -49.44 -32.98 12.93 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.539 1.149 . . . . 0.0 109.209 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.87 -71.32 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.842 ' OE1' HG23 ' A' ' 40' ' ' THR . 9.2 pt-20 -46.67 -26.12 0.86 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 110.326 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.534 HG13 ' CD1' ' A' ' 37' ' ' PHE . 18.6 t -81.59 -43.14 19.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.9 t -48.42 -32.64 7.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.008 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.21 -35.58 66.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.585 1.178 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 27' ' ' VAL . . . -44.77 166.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.499 ' HB3' ' HB2' ' A' ' 34' ' ' SER . . . -105.13 162.62 19.19 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.203 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.435 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.4 Cg_endo -75.06 108.09 2.64 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.422 1.748 . . . . 0.0 110.96 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 71.07 53.9 10.01 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.443 1.089 . . . . 0.0 110.976 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.499 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 6.3 m -137.97 158.8 70.63 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 0.0 109.973 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 49.14 2.17 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.453 1.765 . . . . 0.0 111.05 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.0 tp60 -121.48 -55.25 1.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.256 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.541 ' CE1' HD11 ' A' ' 41' ' ' ILE . 8.9 t80 -59.46 -50.47 73.8 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.587 1.18 . . . . 0.0 110.893 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.811 ' HE1' HD22 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -52.4 -51.62 58.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 111.017 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -50.18 -48.38 54.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 110.271 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.842 HG23 ' OE1' ' A' ' 26' ' ' GLU . 86.5 m -52.0 -34.01 40.88 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.159 . . . . 0.0 110.363 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.786 HG22 HD21 ' A' ' 118' ' ' LEU . 2.8 mm -67.39 -47.71 80.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.58 1.175 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.75 ' HD2' HD13 ' A' ' 118' ' ' LEU . 40.0 mmm-85 -56.91 -32.79 66.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.17 -58.48 5.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.592 1.183 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.7 -37.14 67.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.648 HG22 ' HD2' ' A' ' 50' ' ' PRO . 1.4 t -71.12 -21.82 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.366 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -97.81 -0.58 44.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.269 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -94.34 -66.42 0.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.355 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.576 ' CZ ' ' HE3' ' A' ' 15' ' ' MET . 7.8 p90 -116.19 -31.64 5.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.976 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.485 ' CB ' ' O ' ' A' ' 48' ' ' PHE . 2.6 t70 80.45 95.48 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.25 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.648 ' HD2' HG22 ' A' ' 45' ' ' VAL . 18.2 Cg_endo -74.95 144.15 30.07 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.456 1.766 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.866 HG21 ' HA ' ' A' ' 102' ' ' ASN . 1.4 m -93.22 -177.09 4.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.347 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.471 ' H ' HG22 ' A' ' 51' ' ' THR . . . -49.86 -37.37 30.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.405 ' HD3' ' ND2' ' A' ' 102' ' ' ASN . 0.4 OUTLIER -68.4 -71.0 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.279 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.446 ' HB2' ' CB ' ' A' ' 50' ' ' PRO . 0.1 OUTLIER -44.88 -37.33 3.83 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.449 1.093 . . . . 0.0 109.34 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 1.053 HD13 ' CG ' ' A' ' 117' ' ' TRP . 28.0 mt -68.37 -45.33 73.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.248 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 53' ' ' LYS . 15.8 tp60 -52.11 -51.24 59.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.424 1.078 . . . . 0.0 110.254 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.456 ' O ' ' CB ' ' A' ' 61' ' ' TYR . 32.9 t70 -68.34 -45.73 72.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.621 HD11 HD12 ' A' ' 62' ' ' LEU . 16.8 tp -56.76 -19.36 16.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 33.4 tp -82.04 -50.33 9.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.585 1.178 . . . . 0.0 109.252 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.15 20.12 3.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.331 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.456 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 26.3 t80 -120.19 -43.2 2.54 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.432 1.082 . . . . 0.0 110.944 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.892 HD11 HG22 ' A' ' 23' ' ' ILE . 3.3 mt -98.14 -65.45 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.208 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.481 ' HB3' ' CG1' ' A' ' 67' ' ' VAL . 10.3 m -61.59 -175.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 108.258 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.66 -179.12 3.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.099 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.14 -54.81 12.97 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.529 1.143 . . . . 0.0 110.058 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.6 tp -52.36 -52.74 51.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.416 1.073 . . . . 0.0 109.28 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.481 ' CG1' ' HB3' ' A' ' 63' ' ' CYS . 1.4 t -54.63 -52.51 40.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -44.77 -41.73 7.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.296 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.2 t -68.74 -46.64 68.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.579 1.174 . . . . 0.0 109.995 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 31.2 mt -54.49 -53.89 48.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.494 ' CE1' ' CD1' ' A' ' 117' ' ' TRP . 2.5 t60 -59.79 -45.71 91.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 109.607 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -49.04 -44.53 41.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.094 . . . . 0.0 109.608 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 15.9 tp60 -64.41 -37.4 87.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.277 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.715 ' O ' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -71.62 -21.26 61.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.238 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.715 HD13 HD21 ' A' ' 116' ' ' LEU . 0.3 OUTLIER -83.68 -39.27 20.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.123 . . . . 0.0 109.26 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -60.2 -42.24 94.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.168 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.4 t -73.28 -45.79 53.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.573 1.17 . . . . 0.0 109.956 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.715 HD13 ' O ' ' A' ' 74' ' ' GLN . 5.4 mp -55.28 -56.47 19.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.59 HD12 HD11 ' A' ' 116' ' ' LEU . 1.1 mp -50.14 -46.54 24.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.429 1.08 . . . . 0.0 109.276 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.0 t -50.98 -30.73 15.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.591 1.182 . . . . 0.0 110.007 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -71.34 -38.38 71.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 110.314 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.586 ' HB1' ' CG1' ' A' ' 87' ' ' ILE . . . -66.59 -60.48 2.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.453 ' CD ' ' CE2' ' A' ' 90' ' ' TYR . 0.3 OUTLIER -50.68 -32.96 20.8 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.102 . . . . 0.0 110.318 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.1 m -63.39 -43.94 96.15 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.44 1.087 . . . . 0.0 110.407 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.01 -6.17 51.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.193 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 83.51 -11.69 54.8 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.457 1.098 . . . . 0.0 111.044 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.586 ' CG1' ' HB1' ' A' ' 82' ' ' ALA . 44.1 mt 57.12 163.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.589 0.817 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.609 HG23 ' H ' ' A' ' 89' ' ' GLY . 1.2 t -51.54 -59.87 3.78 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.442 1.089 . . . . 0.0 110.372 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.609 ' H ' HG23 ' A' ' 88' ' ' THR . . . -148.77 56.7 0.48 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.552 1.157 . . . . 0.0 110.989 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.471 ' CD1' ' C ' ' A' ' 90' ' ' TYR . 1.9 t80 -79.84 148.13 31.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 0.757 . . . . 0.0 111.009 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -118.79 129.47 25.38 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -27.48 10.05 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.477 1.778 . . . . 0.0 110.949 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.975 ' O ' HD22 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -60.93 -21.05 63.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 0.0 109.318 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.759 ' N ' HD13 ' A' ' 93' ' ' LEU . . . -95.0 53.68 1.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.239 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.523 ' C ' ' O ' ' A' ' 94' ' ' ALA . . . -26.31 -58.0 0.08 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.476 1.11 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.576 ' HB2' HG23 ' A' ' 99' ' ' VAL . 18.5 Cg_endo -75.0 80.59 2.4 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.525 1.803 . . . . 0.0 111.015 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.466 ' CD2' HG12 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -50.82 -28.99 10.56 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -64.83 -15.0 61.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.248 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.576 HG23 ' HB2' ' A' ' 96' ' ' PRO . 54.7 t -91.88 -43.14 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.587 ' NE2' ' HB3' ' A' ' 94' ' ' ALA . 3.6 pt20 -75.23 -13.36 60.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.49 ' O ' ' CG2' ' A' ' 51' ' ' THR . . . -79.72 -18.09 52.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.866 ' HA ' HG21 ' A' ' 51' ' ' THR . 14.3 m-80 -91.2 -4.85 55.69 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.443 1.089 . . . . 0.0 109.255 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.437 ' ND2' ' HA ' ' A' ' 100' ' ' GLN . 3.6 m-20 -80.4 128.71 71.83 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -24.83 12.39 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.429 1.752 . . . . 0.0 110.942 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.78 -35.78 66.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -115.01 73.12 0.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.346 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.485 ' HA ' ' CD ' ' A' ' 110' ' ' ARG . 3.2 pt20 -73.39 -5.28 38.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.343 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -75.18 -38.56 39.39 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.506 1.129 . . . . 0.0 110.977 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.549 HD23 ' CG ' ' A' ' 112' ' ' GLU . 1.2 mt -84.8 -41.61 15.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 0.771 . . . . 0.0 109.354 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.485 ' CD ' ' HA ' ' A' ' 107' ' ' GLN . 1.6 ptm180 -53.77 -37.0 62.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.421 ' N ' ' CG ' ' A' ' 110' ' ' ARG . 0.0 OUTLIER -78.04 -53.87 6.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.549 ' CG ' HD23 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -53.65 -25.48 18.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 110.335 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.443 ' HE2' HD23 ' A' ' 97' ' ' LEU . 2.5 t80 -80.97 -36.36 30.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 0.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.51 -45.68 93.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.267 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.02 -38.1 75.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.717 ' C ' HD23 ' A' ' 116' ' ' LEU . 0.1 OUTLIER -67.68 -29.14 68.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 1.053 ' CG ' HD13 ' A' ' 55' ' ' LEU . 79.7 t90 -65.82 -49.55 67.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 108.029 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.811 HD22 ' HE1' ' A' ' 38' ' ' MET . 83.4 mt -60.66 -28.47 68.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 116' ' ' LEU . . . -59.99 -54.84 41.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.105 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.619 ' CB ' HD23 ' A' ' 75' ' ' LEU . . . -66.48 -34.47 78.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -66.26 -26.64 67.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 110.974 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -103.7 0.58 30.78 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -92.54 0.29 57.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.255 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 90.9 mt -65.07 150.0 96.02 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 109.347 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 55.63 3.96 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.53 1.805 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 127' ' ' SER . . . 172.62 -46.38 0.17 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.445 1.091 . . . . 0.0 110.986 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 126' ' ' GLY . 27.3 t -39.46 -58.77 1.2 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 0.737 . . . . 0.0 110.04 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -105.07 107.16 17.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.252 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 77.44 171.37 0.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.078 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 177.3 166.35 0.5 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 117.21 4.83 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.469 1.773 . . . . 0.0 110.956 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.08 -22.65 60.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.007 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.84 ' HA ' HD12 ' A' ' 136' ' ' ILE . 38.6 p-90 -74.88 -20.01 59.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 108.035 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.32 -12.96 33.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.392 1.058 . . . . 0.0 109.309 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 5.3 t -126.14 31.0 5.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.01 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.84 HD12 ' HA ' ' A' ' 133' ' ' TRP . 23.3 mt -118.49 119.06 60.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.254 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.48 HD23 ' CB ' ' A' ' 176' ' ' ASN . 0.2 OUTLIER -136.73 137.7 40.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.573 ' HG3' ' CD2' ' A' ' 144' ' ' TYR . 0.0 OUTLIER -55.95 141.51 39.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 110.336 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -102.83 123.75 7.94 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.427 1.079 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.515 ' H ' HD23 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -48.81 -44.45 39.2 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 0.74 . . . . 0.0 109.377 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -98.13 38.43 1.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 110.361 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -140.74 171.45 7.64 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 110.329 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . 0.661 ' HB2' ' HB3' ' A' ' 146' ' ' ALA . 18.6 Cg_endo -75.0 108.51 2.74 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.477 1.778 . . . . 0.0 110.97 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . 0.818 ' O ' HG23 ' A' ' 148' ' ' VAL . 7.8 t80 -69.77 -43.72 71.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . 0.478 ' C ' ' CD2' ' A' ' 145' ' ' HIS . 0.2 OUTLIER -62.58 -58.68 6.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.58 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.661 ' HB3' ' HB2' ' A' ' 143' ' ' PRO . . . -54.56 -32.24 58.05 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.47 1.106 . . . . 0.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . 0.709 ' CE1' HD12 ' A' ' 151' ' ' LEU . 7.4 t80 -70.91 -32.9 69.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.971 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.818 HG23 ' O ' ' A' ' 144' ' ' TYR . 75.4 t -68.0 -47.55 78.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -56.16 -44.74 79.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 110.264 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 153' ' ' ILE . 5.9 ttt180 -65.55 -55.33 18.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 110.299 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.762 ' O ' HD12 ' A' ' 155' ' ' LEU . 0.4 OUTLIER -41.37 -33.1 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.107 . . . . 0.0 109.232 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . 0.475 ' OD1' ' CE ' ' A' ' 165' ' ' LYS . 41.9 t-20 -73.98 -49.56 23.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.259 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.444 ' N ' ' O ' ' A' ' 150' ' ' ARG . 5.6 mt -60.02 -64.98 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -46.27 -30.73 2.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.269 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 0.857 HD11 HD12 ' A' ' 172' ' ' LEU . 5.5 mt -68.61 -60.98 2.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -50.29 -22.91 1.98 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.59 -33.69 69.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . 0.532 ' O ' HD22 ' A' ' 159' ' ' LEU . . . -126.36 39.99 1.9 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.531 1.144 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.728 HD12 ' HB2' ' A' ' 165' ' ' LYS . 0.6 OUTLIER -129.89 116.42 18.04 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.529 0.782 . . . . 0.0 109.305 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 165.93 30.29 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.55 1.816 . . . . 0.0 111.006 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.14 4.27 20.65 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -114.13 20.72 16.36 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.51 1.131 . . . . 0.0 111.025 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' THR . . . . . 0.551 HG23 ' HD2' ' A' ' 164' ' ' PRO . 1.2 m -145.91 142.05 17.38 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.498 0.764 . . . . 0.0 110.355 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' PRO . . . . . 0.551 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.2 Cg_endo -74.98 137.49 21.84 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.549 1.815 . . . . 0.0 111.023 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . 0.728 ' HB2' HD12 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -117.07 -38.16 3.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . 0.509 ' N ' ' CD ' ' A' ' 167' ' ' PRO . 0.2 OUTLIER -40.05 -52.27 5.48 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.329 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 166' ' ' ASP . 18.1 Cg_endo -75.04 -51.06 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.235 0 O-C-N 124.518 1.799 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -46.92 -35.52 2.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.258 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . 0.844 HD21 HD22 ' A' ' 195' ' ' LEU . 50.6 tp -64.91 -67.35 0.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.09 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . 0.493 ' O ' ' CB ' ' A' ' 174' ' ' TYR . 1.0 OUTLIER -45.99 -35.19 4.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.264 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.17 -37.55 83.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.049 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.857 HD12 HD11 ' A' ' 155' ' ' LEU . 22.1 mt -70.2 -46.97 63.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.343 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . 0.485 ' HB3' ' SD ' ' A' ' 198' ' ' MET . . . -75.88 -1.87 27.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.368 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 174' ' ' TYR . . . . . 0.493 ' CB ' ' O ' ' A' ' 170' ' ' ARG . 0.5 OUTLIER -99.72 -72.1 0.68 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . 0.431 ' N ' ' CG ' ' A' ' 174' ' ' TYR . 0.2 OUTLIER -63.5 -56.56 15.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 0.0 110.011 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . 0.48 ' CB ' HD23 ' A' ' 137' ' ' LEU . 3.2 m-20 -79.45 58.34 2.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.559 1.162 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' A' ' 178' ' ' ASN . . . -139.62 88.55 2.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.474 1.109 . . . . 0.0 109.355 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . 0.587 ' ND2' ' CZ2' ' A' ' 205' ' ' TRP . 0.5 OUTLIER 40.38 -159.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.281 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.33 -7.37 10.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.534 1.146 . . . . 0.0 109.258 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . 0.427 ' HG2' ' N ' ' A' ' 181' ' ' CYS . 18.7 pm0 -113.1 -26.09 8.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.329 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 181' ' ' CYS . . . . . 0.535 ' SG ' ' CE2' ' A' ' 205' ' ' TRP . 1.1 m -65.65 -58.48 5.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 108.243 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . 0.466 ' HG3' ' CD1' ' A' ' 174' ' ' TYR . 6.9 tt0 -46.08 -37.2 6.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.229 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -37.37 83.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.662 HD23 ' O ' ' A' ' 184' ' ' LEU . 3.4 tt -59.51 -50.28 74.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . 0.455 HD23 ' NE2' ' A' ' 190' ' ' HIS . 5.3 mt -50.92 -53.41 32.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . 0.552 ' NE2' HG21 ' A' ' 191' ' ' THR . 23.1 mm-40 -58.78 -54.99 40.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.415 1.072 . . . . 0.0 110.294 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -45.79 -43.51 13.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . 0.406 ' HG3' ' CD2' ' A' ' 184' ' ' LEU . 0.1 OUTLIER -61.21 -34.45 75.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.344 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 189' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 186' ' ' GLN . . . 79.16 46.28 8.33 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.49 1.118 . . . . 0.0 110.969 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . 0.602 ' CG ' ' O ' ' A' ' 190' ' ' HIS . 1.8 p80 -149.7 45.8 0.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.771 . . . . 0.0 109.53 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . 0.552 HG21 ' NE2' ' A' ' 186' ' ' GLN . 1.0 OUTLIER -65.8 -48.04 73.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.409 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -84.08 57.73 4.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 193' ' ' SER . . . . . 0.534 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER -129.21 179.65 1.25 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.005 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . 0.534 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.6 Cg_endo -74.9 -167.23 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.469 1.773 . . . . 0.0 111.001 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . 0.844 HD22 HD21 ' A' ' 169' ' ' LEU . 13.1 tp -86.36 -49.95 7.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.363 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -43.3 -40.99 4.86 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.528 1.143 . . . . 0.0 111.047 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . 0.459 ' HB3' ' CE1' ' A' ' 190' ' ' HIS . 2.0 t0 -67.48 -39.49 85.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.578 0.81 . . . . 0.0 109.223 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 198' ' ' MET . . . . . 0.485 ' SD ' ' HB3' ' A' ' 173' ' ' ALA . 52.5 ttm -60.74 -28.42 68.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.929 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 199' ' ' LEU . . . . . 0.639 HD21 HG11 ' A' ' 148' ' ' VAL . 2.0 mm? -80.36 -24.97 39.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.355 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 200' ' ' ARG . . . . . 0.4 ' O ' ' HG2' ' A' ' 203' ' ' GLN . 0.0 OUTLIER -84.9 -8.89 58.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.32 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -99.66 -30.47 12.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.394 1.059 . . . . 0.0 109.325 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 202' ' ' CYS . . . . . . . . . . . . . 14.0 p -87.77 -16.54 33.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.591 1.182 . . . . 0.0 108.308 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 203' ' ' GLN . . . . . 0.405 ' HB3' ' O ' ' A' ' 199' ' ' LEU . 8.4 pt20 -57.03 -16.75 7.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.251 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 204' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 206' ' ' THR . 0.1 OUTLIER -109.1 -4.87 16.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.347 -179.879 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 205' ' ' TRP . . . . . 0.587 ' CZ2' ' ND2' ' A' ' 178' ' ' ASN . 33.7 t90 -70.55 60.97 0.23 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 108.034 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 206' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 204' ' ' THR . 59.6 p -129.8 95.39 29.16 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 110.441 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 88.86 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.474 1.776 . . . . 0.0 111.042 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 208' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.73 178.88 8.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.46 -56.33 4.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 60.99 98.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 3.7 m -88.65 85.16 6.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.396 1.06 . . . . 0.0 110.462 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.01 162.97 5.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.352 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 213' ' ' VAL . . . . . . . . . . . . . 8.0 p -139.1 140.01 39.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.163 . . . . 0.0 109.359 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 214' ' ' LEU . . . . . 0.661 HD23 ' H ' ' A' ' 214' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.577 1.173 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 5.3 p80 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -94.84 -62.34 1.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.618 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -159.23 147.44 17.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.095 . . . . 0.0 109.659 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -153.24 101.79 2.57 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.422 1.076 . . . . 0.0 109.645 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -163.04 103.58 1.0 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 0.0 109.602 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.5 m -105.25 164.3 11.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.01 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 68.1 m -117.91 122.27 42.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.976 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -170.62 118.92 0.78 Allowed Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.545 1.153 . . . . 0.0 110.998 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 59.7 m80 -110.17 131.73 54.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 0.773 . . . . 0.0 109.571 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.9 tp -99.52 143.11 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -80.61 -63.02 1.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 110.32 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -116.46 -167.41 14.72 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.441 1.088 . . . . 0.0 110.983 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.39 123.94 5.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 0.785 . . . . 0.0 110.282 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.402 ' O ' ' O ' ' A' ' 15' ' ' MET . 1.1 m170 -134.42 68.53 1.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.607 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.494 ' HE1' ' CD2' ' A' ' 20' ' ' LEU . 0.7 OUTLIER 49.13 100.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.8 pm0 -95.47 -176.0 3.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.092 . . . . 0.0 110.36 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -43.5 73.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.73 -50.13 73.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -52.57 -52.36 55.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.521 ' HB3' ' CE2' ' A' ' 61' ' ' TYR . 21.4 mt -61.09 -29.33 69.69 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -68.62 -54.9 13.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.34 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.39 -44.03 65.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.411 ' C ' ' N ' ' A' ' 25' ' ' GLN . 15.3 mt -57.62 -54.49 30.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.0 ttpp -46.13 -26.25 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.411 ' N ' ' C ' ' A' ' 23' ' ' ILE . 0.3 OUTLIER -75.24 -68.41 0.56 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.613 ' CD ' HG23 ' A' ' 40' ' ' THR . 3.9 pt-20 -51.34 -25.57 6.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.665 HG23 HG21 ' A' ' 40' ' ' THR . 43.7 t -78.77 -48.0 22.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.2 t -51.0 -24.07 3.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.049 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.49 -40.89 56.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.28 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.663 ' HB1' ' HB3' ' A' ' 36' ' ' GLN . . . -52.46 166.96 0.15 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 109.269 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.449 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -104.35 162.82 18.7 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.449 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.6 Cg_endo -75.01 118.9 5.43 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.446 1.761 . . . . 0.0 111.035 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 72.1 30.85 64.75 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.501 1.126 . . . . 0.0 111.033 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.425 ' OG ' ' HB3' ' A' ' 31' ' ' ALA . 63.8 m -117.96 152.81 50.7 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.555 0.797 . . . . 0.0 110.002 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 50.85 2.63 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.52 1.8 . . . . 0.0 110.974 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.663 ' HB3' ' HB1' ' A' ' 30' ' ' ALA . 31.0 tp60 -121.25 -49.91 2.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.326 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.895 ' CE1' HD11 ' A' ' 41' ' ' ILE . 5.7 t80 -62.28 -64.34 0.96 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 110.963 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 9.5 tpt -44.23 -35.5 2.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -63.7 -38.41 91.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 110.258 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.665 HG21 HG23 ' A' ' 27' ' ' VAL . 1.2 m -69.8 -16.68 63.32 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 110.364 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.895 HD11 ' CE1' ' A' ' 37' ' ' PHE . 10.1 mm -80.72 -40.66 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.347 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.51 -37.67 68.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.163 . . . . 0.0 110.337 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.05 -43.36 95.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.351 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.52 -36.76 83.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.468 HG22 ' HD2' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -70.66 -25.28 26.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.78 -0.94 47.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.32 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -92.47 -71.75 0.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -108.68 -26.47 10.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 0.0 111.059 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 72.2 94.98 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.468 ' HD2' HG22 ' A' ' 45' ' ' VAL . 18.4 Cg_endo -75.01 150.74 38.53 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.494 1.786 . . . . 0.0 110.996 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.0 p -88.81 -177.04 5.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.436 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.07 -51.3 58.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.358 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.412 ' HD3' ' ND2' ' A' ' 102' ' ' ASN . 0.0 OUTLIER -58.16 -59.98 4.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.39 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -44.33 -39.73 4.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 1.076 HD13 ' CG ' ' A' ' 117' ' ' TRP . 25.6 mt -67.69 -44.44 77.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 53' ' ' LYS . 16.9 tp60 -53.65 -53.23 54.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -66.28 -43.62 85.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.599 1.187 . . . . 0.0 109.352 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 21.1 tp -55.59 -28.12 53.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.624 HD23 ' HE1' ' A' ' 72' ' ' HIS . 26.3 tp -73.47 -38.48 65.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.66 4.59 46.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.27 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.521 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 1.3 t80 -96.7 -49.22 5.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 110.958 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.0 mt -112.69 -57.46 2.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.253 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.583 ' CB ' HD12 ' A' ' 59' ' ' LEU . 1.3 m -52.56 123.83 12.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 108.223 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.0 p -65.04 165.36 11.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.577 1.173 . . . . 0.0 110.025 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.468 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 1.7 m -50.32 -70.0 0.1 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.157 . . . . 0.0 109.958 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.2 tp -44.63 -57.47 3.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.451 HG13 HD13 ' A' ' 124' ' ' LEU . 1.4 t -49.16 -48.73 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.233 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 65' ' ' SER . . . -51.65 -54.25 30.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.5 p -53.7 -44.83 70.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.059 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.94 -44.65 87.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.751 ' NE2' ' HB3' ' A' ' 120' ' ' ALA . 53.3 t-80 -65.27 -37.89 88.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.532 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.624 ' HE1' HD23 ' A' ' 59' ' ' LEU . 27.1 m80 -54.99 -42.49 72.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.597 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -71.91 -52.62 16.35 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.434 1.084 . . . . 0.0 110.369 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.405 ' O ' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -52.77 -23.63 7.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.556 HD23 ' CB ' ' A' ' 120' ' ' ALA . 0.2 OUTLIER -83.47 -58.95 2.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.256 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -42.34 -39.08 2.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 109.249 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.49 -48.31 49.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.018 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.86 ' HB3' HD11 ' A' ' 116' ' ' LEU . 0.8 OUTLIER -53.54 -53.32 53.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.568 1.167 . . . . 0.0 109.345 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.732 HG23 HD22 ' A' ' 97' ' ' LEU . 6.9 mm -49.41 -50.53 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.466 ' HA ' ' CG ' ' A' ' 83' ' ' GLU . 1.6 p -48.67 -35.02 12.96 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.549 1.156 . . . . 0.0 110.04 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -65.62 -36.45 83.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 110.224 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.684 ' HB1' HG12 ' A' ' 87' ' ' ILE . . . -72.01 -65.4 0.77 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.553 1.158 . . . . 0.0 109.346 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.466 ' CG ' ' HA ' ' A' ' 80' ' ' SER . 1.5 pt-20 -49.78 -23.11 1.67 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.402 ' CB ' ' O ' ' A' ' 80' ' ' SER . 1.2 m -73.65 -42.98 60.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 110.374 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.38 -1.57 37.68 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.581 1.176 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 83.36 -9.94 60.13 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.443 1.089 . . . . 0.0 110.993 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.847 HG21 HD11 ' A' ' 109' ' ' LEU . 67.7 mt 59.64 154.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 0.781 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.511 HG23 ' N ' ' A' ' 89' ' ' GLY . 3.2 t -52.85 -55.86 20.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.377 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.511 ' N ' HG23 ' A' ' 88' ' ' THR . . . -151.73 59.46 0.42 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.58 1.175 . . . . 0.0 110.938 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.544 ' CG ' ' N ' ' A' ' 91' ' ' ASN . 16.9 t80 -78.95 169.07 18.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 0.755 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.544 ' N ' ' CG ' ' A' ' 90' ' ' TYR . 2.1 t-20 -130.18 129.23 22.88 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 -23.83 13.4 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.479 1.778 . . . . 0.0 111.01 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.928 HD13 ' N ' ' A' ' 94' ' ' ALA . 0.0 OUTLIER -73.81 -15.6 61.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.928 ' N ' HD13 ' A' ' 93' ' ' LEU . . . -99.76 53.77 0.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 94' ' ' ALA . . . -34.57 -54.32 0.79 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.544 ' HB2' HG23 ' A' ' 99' ' ' VAL . 18.3 Cg_endo -75.0 85.09 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.567 1.825 . . . . 0.0 111.044 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.732 HD22 HG23 ' A' ' 79' ' ' ILE . 7.1 tp -53.89 -20.68 6.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 9.8 ptt180 -74.32 -8.37 56.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.276 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.544 HG23 ' HB2' ' A' ' 96' ' ' PRO . 53.5 t -99.62 -59.63 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.56 ' CD ' HD12 ' A' ' 97' ' ' LEU . 4.8 pt20 -56.83 -17.95 11.15 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.551 1.157 . . . . 0.0 110.274 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.33 -38.09 56.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.412 ' ND2' ' HD3' ' A' ' 53' ' ' LYS . 29.2 p30 -101.26 33.19 2.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -107.08 140.28 21.26 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.219 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 48.79 2.07 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.523 1.801 . . . . 0.0 111.033 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -144.69 -47.14 0.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.285 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -89.36 113.92 25.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.312 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -106.58 -34.49 7.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -65.96 -58.67 8.58 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.454 1.096 . . . . 0.0 110.985 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.847 HD11 HG21 ' A' ' 87' ' ' ILE . 0.4 OUTLIER -60.78 -51.69 68.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 0.767 . . . . 0.0 109.317 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -43.04 -35.43 1.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 110.377 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.7 -53.91 7.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.535 1.147 . . . . 0.0 110.279 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -17.22 9.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -84.91 -39.19 18.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -63.44 -48.95 75.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.57 1.169 . . . . 0.0 110.35 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -68.32 -35.78 78.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.436 1.085 . . . . 0.0 110.265 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.86 HD11 ' HB3' ' A' ' 78' ' ' LEU . 8.2 tt -66.72 -36.71 83.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 1.076 ' CG ' HD13 ' A' ' 55' ' ' LEU . 86.5 t90 -62.61 -43.34 99.05 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.766 HD21 HG22 ' A' ' 41' ' ' ILE . 65.7 mt -65.63 -31.8 73.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.484 ' HB3' ' O ' ' A' ' 116' ' ' LEU . . . -57.65 -60.6 3.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.751 ' HB3' ' NE2' ' A' ' 71' ' ' HIS . . . -58.23 -37.24 74.49 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.789 ' CE1' ' CZ2' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -60.38 -31.91 70.8 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 110.918 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -97.18 0.75 48.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -92.98 -0.15 57.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.451 HD13 HG13 ' A' ' 67' ' ' VAL . 60.1 mt -74.65 154.32 87.41 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -6.32 17.93 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.562 1.822 . . . . 0.0 110.978 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -135.61 47.68 0.97 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.534 1.146 . . . . 0.0 111.049 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.41 48.61 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 0.795 . . . . 0.0 109.954 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -159.48 -68.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.41 1.069 . . . . 0.0 109.34 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -143.97 -174.11 4.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.554 1.159 . . . . 0.0 109.241 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -110.29 160.19 29.27 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.661 ' HG2' ' HB2' ' A' ' 134' ' ' ALA . 18.5 Cg_endo -74.94 162.19 37.66 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.428 1.752 . . . . 0.0 111.057 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.51 -31.96 63.98 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.616 1.197 . . . . 0.0 109.935 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.782 ' HA ' HD12 ' A' ' 136' ' ' ILE . 20.8 p-90 -73.67 -15.41 61.24 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.661 ' HB2' ' HG2' ' A' ' 131' ' ' PRO . . . -65.34 -11.08 38.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 3.4 t -133.4 33.27 3.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.782 HD12 ' HA ' ' A' ' 133' ' ' TRP . 65.1 mt -115.59 117.22 54.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.81 162.61 35.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.079 . . . . 0.0 109.302 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.568 ' OE1' ' CD1' ' A' ' 144' ' ' TYR . 4.9 tt0 -87.97 103.06 15.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 110.268 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -59.18 159.43 19.2 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.585 1.178 . . . . 0.0 110.974 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.766 HD13 ' O ' ' A' ' 140' ' ' LEU . 3.3 tm? -67.1 -25.03 66.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 0.748 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -116.65 40.07 3.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 110.236 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -138.97 159.64 66.08 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.442 1.089 . . . . 0.0 110.272 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 150.82 38.59 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.483 1.78 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . 1.045 ' O ' HG23 ' A' ' 148' ' ' VAL . 6.5 t80 -105.04 -40.04 6.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 111.04 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . 0.487 ' HA ' ' CD1' ' A' ' 199' ' ' LEU . 0.5 OUTLIER -60.63 -53.78 53.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.575 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.0 -26.91 68.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.358 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . 0.703 ' CE2' HD12 ' A' ' 151' ' ' LEU . 60.3 t80 -73.5 -42.8 61.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.137 . . . . 0.0 111.0 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 1.045 HG23 ' O ' ' A' ' 144' ' ' TYR . 46.7 t -58.03 -46.57 87.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 109.258 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . 0.498 ' O ' HD12 ' A' ' 153' ' ' ILE . 5.6 tt0 -56.78 -56.13 25.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.264 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 153' ' ' ILE . 4.6 mmt180 -56.59 -47.86 78.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.703 HD12 ' CE2' ' A' ' 147' ' ' PHE . 0.7 OUTLIER -44.76 -41.63 7.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -66.48 -40.9 89.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.498 HD12 ' O ' ' A' ' 149' ' ' GLU . 1.2 mp -65.09 -69.22 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . 0.432 ' N ' HG22 ' A' ' 153' ' ' ILE . . . -41.87 -29.06 0.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 0.819 HD11 HD12 ' A' ' 172' ' ' LEU . 6.4 mt -76.67 -50.47 13.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 153' ' ' ILE . 12.9 t70 -52.78 -20.46 3.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -92.1 -25.47 18.73 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.57 1.169 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 155' ' ' LEU . . . -136.73 53.88 0.73 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.513 1.133 . . . . 0.0 111.039 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.652 ' HG ' HD22 ' A' ' 155' ' ' LEU . 0.2 OUTLIER -166.07 103.63 0.71 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.75 . . . . 0.0 109.281 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 157.19 43.08 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.419 1.747 . . . . 0.0 111.022 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 163' ' ' THR . 6.4 mt-10 -61.49 -51.07 70.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.275 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -40.06 -28.43 0.16 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.469 1.106 . . . . 0.0 111.015 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' THR . . . . . 0.716 HG23 ' HD2' ' A' ' 164' ' ' PRO . 1.9 m -100.23 145.67 30.64 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.444 0.732 . . . . 0.0 110.417 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' PRO . . . . . 0.716 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.5 Cg_endo -75.03 128.48 11.5 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.465 1.771 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . 0.407 ' HB2' HD12 ' A' ' 159' ' ' LEU . 1.1 tmpt? -110.13 -24.54 10.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . 0.493 ' CB ' ' HD3' ' A' ' 167' ' ' PRO . 0.4 OUTLIER -52.6 -52.59 62.45 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' PRO . . . . . 0.493 ' HD3' ' CB ' ' A' ' 166' ' ' ASP . 18.1 Cg_endo -75.01 -37.19 2.13 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.553 1.817 . . . . 0.0 110.966 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . 0.435 ' CD1' HD21 ' A' ' 159' ' ' LEU . 0.0 OUTLIER -61.51 -34.7 62.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.571 1.17 . . . . 0.0 109.319 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . 0.414 HD11 ' HB3' ' A' ' 151' ' ' LEU . 12.5 tp -71.24 -58.99 3.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 7.5 mtm105 -47.39 -25.41 1.02 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 110.28 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.17 -57.68 3.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 109.922 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.819 HD12 HD11 ' A' ' 155' ' ' LEU . 27.6 mt -51.97 -21.04 2.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . 0.969 ' O ' ' HB2' ' A' ' 177' ' ' ALA . . . -91.41 -68.05 0.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.102 . . . . 0.0 109.271 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 174' ' ' TYR . . . . . 0.558 ' CD2' HD13 ' A' ' 185' ' ' LEU . 3.0 t80 -73.81 -65.68 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 110.949 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 8.1 t -43.49 -27.99 0.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.944 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . 0.401 ' N ' ' C ' ' A' ' 174' ' ' TYR . 54.9 m-20 -126.27 56.39 1.45 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . 0.969 ' HB2' ' O ' ' A' ' 173' ' ' ALA . . . -121.53 136.94 54.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . 0.447 ' OD1' ' N ' ' A' ' 178' ' ' ASN . 2.8 p-10 -52.58 -175.67 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.33 -47.63 22.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . 0.473 ' HB2' ' CD2' ' A' ' 140' ' ' LEU . 1.1 tp10 -56.58 -27.31 57.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.595 1.185 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 181' ' ' CYS . . . . . 0.545 ' SG ' ' CE2' ' A' ' 144' ' ' TYR . 54.0 t -84.51 -68.98 0.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 108.259 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . 0.408 ' HG3' ' N ' ' A' ' 183' ' ' LYS . 3.1 pp0? -44.13 -33.53 1.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.362 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 183' ' ' LYS . . . . . 0.408 ' N ' ' HG3' ' A' ' 182' ' ' GLN . 11.5 ttpp -73.43 -42.32 62.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.591 1.182 . . . . 0.0 109.316 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.672 HD23 ' O ' ' A' ' 184' ' ' LEU . 2.1 tt -57.79 -50.46 73.18 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . 0.961 HD11 ' SD ' ' A' ' 198' ' ' MET . 6.7 mt -52.37 -55.6 20.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . 0.422 ' NE2' ' OH ' ' A' ' 174' ' ' TYR . 20.5 mm-40 -55.59 -47.3 76.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.329 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -58.08 -21.64 46.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . 0.472 ' HG3' ' CD2' ' A' ' 184' ' ' LEU . 0.0 OUTLIER -91.9 -22.04 20.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.536 1.147 . . . . 0.0 110.296 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 65.93 55.51 19.06 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . 0.79 ' NE2' HD23 ' A' ' 185' ' ' LEU . 1.5 p80 -155.02 36.92 0.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 0.741 . . . . 0.0 109.619 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . 0.41 ' HB ' ' CE2' ' A' ' 174' ' ' TYR . 43.4 p -60.84 -60.22 4.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.402 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -77.16 59.99 1.83 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 193' ' ' SER . . . . . 0.539 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER -134.64 -179.47 1.08 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.974 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . 0.539 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.4 Cg_endo -74.96 -168.6 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.495 1.787 . . . . 0.0 110.962 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . 0.808 HD21 ' CG1' ' A' ' 148' ' ' VAL . 4.7 tp -86.05 -36.36 19.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -45.54 -40.43 8.52 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.544 1.153 . . . . 0.0 110.976 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . 0.403 ' HB3' ' ND1' ' A' ' 190' ' ' HIS . 13.6 m-20 -77.3 -29.17 53.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 0.741 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 198' ' ' MET . . . . . 0.961 ' SD ' HD11 ' A' ' 185' ' ' LEU . 32.7 tpp -60.28 -50.17 74.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 111.011 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 199' ' ' LEU . . . . . 0.512 HD21 HG11 ' A' ' 148' ' ' VAL . 2.7 mm? -73.3 -22.6 60.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.259 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -79.73 -17.52 53.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.261 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -93.01 -37.33 12.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.652 1.22 . . . . 0.0 109.308 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 202' ' ' CYS . . . . . 0.41 ' O ' ' C ' ' A' ' 203' ' ' GLN . 43.4 t -81.08 -21.39 40.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.149 . . . . 0.0 108.33 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 203' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 202' ' ' CYS . 12.8 pt20 -38.16 -36.54 0.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 110.288 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 204' ' ' THR . . . . . 0.555 ' O ' HG23 ' A' ' 206' ' ' THR . 6.6 t -113.28 -50.81 2.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.346 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 205' ' ' TRP . . . . . 0.66 ' HA ' HD11 ' A' ' 184' ' ' LEU . 4.7 t90 43.48 60.17 2.73 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.119 . . . . 0.0 108.003 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 206' ' ' THR . . . . . 0.555 HG23 ' O ' ' A' ' 204' ' ' THR . 1.9 p -122.68 151.11 59.81 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 0.0 110.344 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 169.42 22.66 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.439 1.757 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 208' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.43 154.49 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . 4.8 p30 178.05 156.33 0.39 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 210' ' ' LYS . . . . . 0.403 ' HG2' ' N ' ' A' ' 211' ' ' THR . 9.9 tttt -147.3 153.44 39.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . 0.403 ' N ' ' HG2' ' A' ' 210' ' ' LYS . 41.7 p -149.81 162.45 40.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 110.401 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.67 142.77 1.23 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.586 1.179 . . . . 0.0 109.272 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 213' ' ' VAL . . . . . . . . . . . . . 64.6 t -77.92 -64.62 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 214' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.112 . . . . 0.0 109.311 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 1.7 t60 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 52.3 m80 -113.57 176.25 5.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.65 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -155.77 173.16 17.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.167 . . . . 0.0 109.549 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 p80 -142.06 174.79 10.28 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.424 1.077 . . . . 0.0 109.607 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 10.4 p80 -99.34 174.82 6.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.607 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.5 m -161.78 170.73 19.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.956 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.2 p -99.94 170.78 8.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.0 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 170.96 179.51 42.2 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.485 1.116 . . . . 0.0 111.047 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.93 148.89 38.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 0.781 . . . . 0.0 109.581 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 pp -144.55 135.99 21.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.422 1.076 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -75.56 165.38 25.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.54 1.15 . . . . 0.0 110.255 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 41.27 -160.69 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.449 1.093 . . . . 0.0 110.962 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 ptt180 -178.13 60.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 110.292 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.45 ' NE2' ' O ' ' A' ' 49' ' ' ASP . 1.0 OUTLIER -120.38 46.4 1.99 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 1.168 . . . . 0.0 109.566 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.569 ' HG3' ' CZ ' ' A' ' 48' ' ' PHE . 2.8 ttt -178.99 85.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 19' ' ' ASP . 0.0 OUTLIER -80.02 153.92 28.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.447 ' O ' ' NE2' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -45.52 -25.6 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.908 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.44 -41.39 96.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 109.347 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 16' ' ' GLN . 0.6 OUTLIER -59.05 -58.77 7.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.092 . . . . 0.0 109.287 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.772 ' HA ' HD12 ' A' ' 23' ' ' ILE . 4.6 mt -54.72 -27.03 37.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' A' ' 17' ' ' MET . 4.9 mt-30 -71.55 -53.4 13.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.277 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.08 -30.59 68.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.098 . . . . 0.0 109.343 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.772 HD12 ' HA ' ' A' ' 20' ' ' LEU . 55.0 mt -66.39 -51.27 60.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.628 ' HA ' HD21 ' A' ' 62' ' ' LEU . 4.1 ttpp -51.59 -28.34 13.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.596 1.185 . . . . 0.0 109.374 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -72.17 -69.82 0.37 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.553 1.158 . . . . 0.0 110.297 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.767 ' CD ' HG23 ' A' ' 40' ' ' THR . 2.6 pt-20 -51.96 -23.74 5.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.267 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.869 HG23 HG21 ' A' ' 40' ' ' THR . 5.3 t -79.06 -47.6 22.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.353 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.2 t -48.18 -35.15 11.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 109.961 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -67.9 -32.34 72.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.273 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 27' ' ' VAL . . . -47.64 168.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.687 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -109.45 172.36 3.7 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.687 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.4 Cg_endo -75.03 115.82 4.4 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.508 1.794 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 57.8 43.72 94.53 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.552 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 2.9 m -118.81 157.28 50.56 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.581 0.812 . . . . 0.0 109.962 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 48.48 2.01 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.401 1.738 . . . . 0.0 111.025 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -121.64 -58.8 1.73 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.642 ' HD2' HG13 ' A' ' 27' ' ' VAL . 3.0 t80 -54.91 -52.95 61.31 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.549 1.155 . . . . 0.0 110.985 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.563 ' HE1' ' HB3' ' A' ' 118' ' ' LEU . 0.0 OUTLIER -57.83 -41.95 83.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 42.2 tp60 -56.46 -36.16 68.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.869 HG21 HG23 ' A' ' 27' ' ' VAL . 1.3 m -68.32 -31.18 70.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.412 1.07 . . . . 0.0 110.417 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.693 HG22 HD21 ' A' ' 118' ' ' LEU . 16.8 mm -63.98 -47.67 89.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.2 tpp180 -66.04 -28.68 69.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.369 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.3 tp -67.29 -34.39 77.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.248 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.27 -42.96 22.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.113 . . . . 0.0 109.286 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.834 HG11 HD11 ' A' ' 118' ' ' LEU . 0.5 OUTLIER -68.53 -18.52 23.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -99.55 -24.22 14.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 110.26 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -67.42 -68.49 0.38 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 110.259 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.569 ' CZ ' ' HG3' ' A' ' 15' ' ' MET . 12.3 p90 -115.31 -28.18 6.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.45 ' O ' ' NE2' ' A' ' 14' ' ' HIS . 6.9 t70 75.4 94.79 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.431 ' CD ' ' HA ' ' A' ' 45' ' ' VAL . 18.1 Cg_endo -75.0 160.5 40.08 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.498 1.789 . . . . 0.0 110.955 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.6 p -90.41 -179.36 5.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 110.37 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.77 -51.99 66.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -51.74 -52.13 50.92 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.558 1.161 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -55.0 -49.63 71.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.253 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.939 HD13 ' CG ' ' A' ' 117' ' ' TRP . 20.0 mt -54.33 -47.76 72.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -48.38 -48.36 36.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.321 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.413 ' C ' ' N ' ' A' ' 59' ' ' LEU . 2.1 m-20 -69.79 -53.47 18.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.513 HD11 HD12 ' A' ' 62' ' ' LEU . 18.4 tp -48.21 -24.31 1.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.412 1.07 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.497 HD13 ' HE1' ' A' ' 121' ' ' PHE . 50.6 tp -76.9 -52.22 9.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.23 25.01 2.32 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.519 1.137 . . . . 0.0 110.237 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.461 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 36.0 t80 -120.69 -49.78 2.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.173 . . . . 0.0 111.007 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.628 HD21 ' HA ' ' A' ' 24' ' ' LYS . 3.5 mt -88.54 -53.27 4.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.536 ' SG ' HG11 ' A' ' 67' ' ' VAL . 60.4 m -82.12 -173.92 4.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 108.227 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.8 m -104.89 175.9 5.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.998 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.0 m -59.34 -44.28 92.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.047 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.7 tp -52.78 -60.33 3.4 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.45 1.094 . . . . 0.0 109.413 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.536 HG11 ' SG ' ' A' ' 63' ' ' CYS . 2.4 t -49.58 -49.02 19.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.147 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.405 ' HA ' HD21 ' A' ' 59' ' ' LEU . . . -51.19 -47.11 62.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.8 p -60.08 -54.03 50.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.985 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.444 ' O ' ' NE2' ' A' ' 74' ' ' GLN . 63.5 mt -50.84 -51.91 46.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.473 ' CE1' HD23 ' A' ' 75' ' ' LEU . 2.5 t60 -57.44 -44.23 84.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.608 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -52.96 -23.55 7.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.633 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -80.9 -70.89 0.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.258 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.82 ' O ' HD13 ' A' ' 78' ' ' LEU . 0.4 OUTLIER -47.2 -44.84 22.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.257 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.509 HD21 HD23 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -58.44 -52.59 64.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -47.6 -51.47 21.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.1 t -62.7 -40.29 96.67 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.494 1.121 . . . . 0.0 109.96 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.82 HD13 ' O ' ' A' ' 74' ' ' GLN . 5.9 mp -54.58 -45.52 73.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.618 HD12 HD21 ' A' ' 97' ' ' LEU . 12.2 mm -56.45 -54.62 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.427 ' HA ' ' CG ' ' A' ' 83' ' ' GLU . 0.5 OUTLIER -46.57 -28.81 1.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.409 1.068 . . . . 0.0 110.034 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -71.79 -39.42 69.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.33 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.808 ' HB1' HG12 ' A' ' 87' ' ' ILE . . . -65.53 -58.69 5.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.427 ' CG ' ' HA ' ' A' ' 80' ' ' SER . 0.0 OUTLIER -55.15 -35.27 64.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.309 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.7 m -67.38 -47.22 71.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.592 1.183 . . . . 0.0 110.448 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.87 0.06 22.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 110.282 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 71.78 88.06 0.14 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.525 1.141 . . . . 0.0 110.966 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.808 HG12 ' HB1' ' A' ' 82' ' ' ALA . 82.2 mt -52.41 156.41 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.459 0.74 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.727 HG23 ' H ' ' A' ' 89' ' ' GLY . 0.0 OUTLIER -42.75 -73.8 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.382 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.727 ' H ' HG23 ' A' ' 88' ' ' THR . . . -140.35 54.69 0.65 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.482 1.114 . . . . 0.0 111.026 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.466 ' HB2' ' CG2' ' A' ' 87' ' ' ILE . 60.4 t80 -80.26 142.34 34.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 0.733 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.701 ' ND2' HD12 ' A' ' 93' ' ' LEU . 0.3 OUTLIER -109.61 100.54 42.64 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 -23.62 13.73 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.881 HD13 ' N ' ' A' ' 94' ' ' ALA . 0.0 OUTLIER -56.58 -34.25 66.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.881 ' N ' HD13 ' A' ' 93' ' ' LEU . . . -63.59 -64.45 0.9 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.529 ' N ' ' CD ' ' A' ' 96' ' ' PRO . . . 125.4 -48.9 0.94 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.585 1.178 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.529 ' CD ' ' N ' ' A' ' 95' ' ' GLY . 18.2 Cg_endo -75.08 158.49 41.85 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.502 1.791 . . . . 0.0 110.931 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.618 HD21 HD12 ' A' ' 79' ' ' ILE . 19.0 tp -120.27 -48.79 2.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.439 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 0.1 OUTLIER -60.95 -27.4 68.21 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.439 1.087 . . . . 0.0 110.334 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.471 ' CG2' ' HB2' ' A' ' 96' ' ' PRO . 92.6 t -61.39 -47.12 94.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -71.35 -28.71 64.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.308 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.52 -37.98 71.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.375 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 98' ' ' ARG . 25.3 p30 -102.17 35.68 2.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -109.86 134.9 20.51 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.419 1.074 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 48.58 2.02 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.405 1.739 . . . . 0.0 110.973 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 20.7 mm-40 -147.72 -48.61 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.337 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.3 116.39 23.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.26 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 13.4 tm0? -106.41 -33.89 7.59 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -61.06 -56.89 21.42 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.868 HD23 ' HG2' ' A' ' 112' ' ' GLU . 1.3 mt -62.24 -44.91 95.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 0.734 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.45 -38.75 4.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 110.248 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.403 ' C ' ' N ' ' A' ' 113' ' ' TYR . 0.3 OUTLIER -75.75 -61.14 2.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.275 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.868 ' HG2' HD23 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -46.47 -24.71 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 0.0 110.256 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.426 ' N ' ' HG3' ' A' ' 112' ' ' GLU . 7.1 t80 -79.65 -40.89 28.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 111.017 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.423 ' NE2' ' OD1' ' A' ' 49' ' ' ASP . 26.5 mt-30 -59.36 -46.46 88.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.8 -49.82 23.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.708 HD11 ' HB3' ' A' ' 78' ' ' LEU . 7.6 tt -51.84 -42.44 62.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.939 ' CG ' HD13 ' A' ' 55' ' ' LEU . 74.4 t90 -59.27 -51.52 69.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.567 1.167 . . . . 0.0 107.975 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.834 HD11 HG11 ' A' ' 45' ' ' VAL . 64.9 mt -54.99 -36.08 65.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 116' ' ' LEU . . . -55.59 -58.58 7.19 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.435 1.084 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.503 ' HB1' ' HG3' ' A' ' 74' ' ' GLN . . . -51.45 -47.21 63.16 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.799 ' CE1' ' CZ2' ' A' ' 117' ' ' TRP . 0.3 OUTLIER -55.16 -50.03 70.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.59 -2.77 30.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.466 ' HB3' ' OE1' ' A' ' 74' ' ' GLN . . . -95.35 8.09 44.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.349 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 24.9 mt -86.84 157.55 54.56 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.115 . . . . 0.0 109.343 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 52.7 3.14 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.479 1.778 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.507 ' O ' ' N ' ' A' ' 128' ' ' ALA . . . 129.5 -42.16 1.45 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.453 ' OG ' ' N ' ' A' ' 128' ' ' ALA . 1.2 p 66.67 -62.05 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.77 . . . . 0.0 109.915 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.618 ' HB2' ' HB3' ' A' ' 37' ' ' PHE . . . -78.3 154.54 30.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 9.9 ttmt -151.9 167.59 27.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -159.96 161.06 26.84 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.793 ' HG2' ' HB2' ' A' ' 134' ' ' ALA . 17.9 Cg_endo -75.08 158.26 41.97 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.491 1.785 . . . . 0.0 110.95 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.97 -31.18 58.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.965 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.773 ' HA ' HD12 ' A' ' 136' ' ' ILE . 25.5 p-90 -75.06 -10.08 59.14 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.571 1.17 . . . . 0.0 107.936 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.793 ' HB2' ' HG2' ' A' ' 131' ' ' PRO . . . -69.38 -8.29 45.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.236 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.04 30.6 4.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.03 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.773 HD12 ' HA ' ' A' ' 133' ' ' TRP . 44.4 mt -119.9 118.64 57.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.641 HD23 ' OD1' ' A' ' 176' ' ' ASN . 0.3 OUTLIER -135.5 -178.5 5.14 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.44 ' HG3' ' CG ' ' A' ' 144' ' ' TYR . 0.0 OUTLIER -99.04 113.58 25.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.274 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . 0.423 ' O ' ' NE2' ' A' ' 138' ' ' GLN . . . -70.08 144.99 40.54 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.7 HD21 ' HB2' ' A' ' 180' ' ' GLU . 2.1 tm? -57.56 -41.81 81.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.767 . . . . 0.0 109.212 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -114.27 41.38 2.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 110.287 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -125.96 160.38 57.1 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . 0.479 ' HB2' ' HB3' ' A' ' 146' ' ' ALA . 18.3 Cg_endo -74.98 99.55 1.26 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.579 1.831 . . . . 0.0 110.967 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . 0.625 ' O ' HG23 ' A' ' 148' ' ' VAL . 1.3 t80 -62.24 -48.08 81.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . 0.5 ' HA ' ' CD1' ' A' ' 199' ' ' LEU . 3.0 t-160 -53.03 -55.58 22.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.61 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.479 ' HB3' ' HB2' ' A' ' 143' ' ' PRO . . . -59.88 -24.39 64.23 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.539 1.149 . . . . 0.0 109.341 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . 0.538 ' CZ ' ' O ' ' A' ' 137' ' ' LEU . 0.1 OUTLIER -75.39 -41.79 55.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.437 1.086 . . . . 0.0 110.996 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 144' ' ' TYR . 46.2 t -60.18 -46.28 94.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.248 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.23 -53.3 59.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 110.237 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -44.65 93.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.294 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.693 ' O ' HD12 ' A' ' 155' ' ' LEU . 0.8 OUTLIER -49.1 -38.21 23.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.34 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -65.78 -47.85 73.78 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.561 1.163 . . . . 0.0 109.346 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.404 ' C ' ' N ' ' A' ' 155' ' ' LEU . 2.8 mt -62.33 -67.93 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -43.76 -29.84 0.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.583 1.177 . . . . 0.0 109.265 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 0.693 HD12 ' O ' ' A' ' 151' ' ' LEU . 5.8 mt -69.0 -60.66 2.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -50.11 -22.74 1.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . 0.404 ' N ' ' C ' ' A' ' 155' ' ' LEU . 0.9 OUTLIER -70.31 -30.07 66.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . 0.577 ' O ' HD22 ' A' ' 159' ' ' LEU . . . -137.27 44.46 1.14 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.493 1.12 . . . . 0.0 110.959 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.577 HD22 ' O ' ' A' ' 158' ' ' GLY . 0.5 OUTLIER -132.3 116.18 15.26 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.468 0.746 . . . . 0.0 109.319 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 161.74 38.27 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.448 1.762 . . . . 0.0 111.062 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -77.07 -3.99 42.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.327 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -111.39 23.96 16.9 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.52 1.137 . . . . 0.0 111.036 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' THR . . . . . 0.537 HG23 ' HD2' ' A' ' 164' ' ' PRO . 2.5 m -137.33 141.01 32.4 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.471 0.748 . . . . 0.0 110.385 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' PRO . . . . . 0.537 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.3 Cg_endo -75.0 134.23 17.55 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.488 1.783 . . . . 0.0 110.96 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . 0.551 ' HB2' HD12 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -113.77 -33.05 5.93 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . 0.509 ' N ' ' CD ' ' A' ' 167' ' ' PRO . 0.1 OUTLIER -41.02 -51.91 7.19 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 166' ' ' ASP . 18.3 Cg_endo -74.98 -52.71 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.538 1.81 . . . . 0.0 110.988 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -45.92 -47.34 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.228 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . 0.47 HD13 HD12 ' A' ' 155' ' ' LEU . 28.0 tp -61.48 -53.91 50.26 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 20.6 ttp85 -64.16 -12.04 36.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.273 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . 0.494 ' O ' ' CB ' ' A' ' 175' ' ' SER . 0.3 OUTLIER -91.14 -33.74 15.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.967 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.504 HD21 ' CE3' ' A' ' 133' ' ' TRP . 7.0 mt -81.58 -16.27 52.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . 0.808 ' O ' ' HB2' ' A' ' 177' ' ' ALA . . . -92.91 -32.56 14.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.245 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 174' ' ' TYR . . . . . 0.404 ' C ' ' N ' ' A' ' 176' ' ' ASN . 81.1 t80 -107.28 -68.47 0.89 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 110.971 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 171' ' ' SER . 0.1 OUTLIER -44.92 -26.87 0.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.102 . . . . 0.0 109.99 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . 0.641 ' OD1' HD23 ' A' ' 137' ' ' LEU . 27.6 m-20 -125.04 61.68 1.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.258 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . 0.808 ' HB2' ' O ' ' A' ' 173' ' ' ALA . . . -132.98 147.19 52.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . 0.549 ' OD1' HD23 ' A' ' 140' ' ' LEU . 0.4 OUTLIER -50.92 179.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.11 -36.53 47.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.221 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . 0.7 ' HB2' HD21 ' A' ' 140' ' ' LEU . 0.2 OUTLIER -73.53 -29.73 62.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 110.338 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 181' ' ' CYS . . . . . 0.576 ' SG ' ' CD2' ' A' ' 144' ' ' TYR . 23.3 t -72.03 -59.86 2.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 108.32 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . 0.689 ' HG3' ' HB3' ' A' ' 177' ' ' ALA . 27.8 mt-30 -55.78 -43.46 76.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 0.0 110.266 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 9.3 ttpp -60.1 -35.89 76.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.685 ' C ' HD23 ' A' ' 184' ' ' LEU . 3.3 tt -64.21 -56.96 11.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . 0.719 HD11 ' HE2' ' A' ' 198' ' ' MET . 4.9 mt -47.27 -50.44 21.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 189' ' ' GLY . 0.9 OUTLIER -61.32 -60.95 2.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.344 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -44.62 -27.04 0.43 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.138 . . . . 0.0 109.337 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . 0.601 ' HD2' ' HB1' ' A' ' 201' ' ' ALA . 0.2 OUTLIER -78.04 -44.89 25.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 189' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 186' ' ' GLN . . . 82.53 72.52 1.26 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.494 1.121 . . . . 0.0 111.043 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . 0.688 ' NE2' HD23 ' A' ' 185' ' ' LEU . 4.5 p80 -166.71 29.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 0.733 . . . . 0.0 109.588 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 1.9 p -58.43 -50.26 74.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.336 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -63.97 -32.23 73.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 109.317 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 193' ' ' SER . . . . . 0.497 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.2 OUTLIER -49.46 178.03 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 109.983 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . 0.497 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.5 Cg_endo -74.92 -166.69 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.529 1.805 . . . . 0.0 111.065 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . 0.998 HD12 ' SD ' ' A' ' 198' ' ' MET . 4.4 tp -86.65 -40.28 15.27 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -47.23 -34.41 8.41 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.468 1.105 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . 0.423 ' HB3' ' ND1' ' A' ' 190' ' ' HIS . 46.4 t0 -69.42 -32.3 71.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 0.736 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 198' ' ' MET . . . . . 0.998 ' SD ' HD12 ' A' ' 195' ' ' LEU . 59.1 mtp -62.96 -31.52 72.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 199' ' ' LEU . . . . . 0.505 HD11 ' HB ' ' A' ' 148' ' ' VAL . 2.9 mm? -83.34 -21.69 33.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -91.22 -8.14 49.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ALA . . . . . 0.601 ' HB1' ' HD2' ' A' ' 188' ' ' ARG . . . -97.21 -38.65 9.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 202' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 203' ' ' GLN . 14.5 p -82.43 -24.22 34.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 108.28 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 203' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 202' ' ' CYS . 17.6 pt20 -35.53 -42.22 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 204' ' ' THR . . . . . 0.542 ' OG1' HG22 ' A' ' 206' ' ' THR . 4.4 t -99.83 -50.5 4.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.406 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 205' ' ' TRP . . . . . 0.639 ' HA ' HD11 ' A' ' 184' ' ' LEU . 4.6 t90 40.94 60.24 2.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 107.975 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 206' ' ' THR . . . . . 0.789 ' O ' HG23 ' A' ' 206' ' ' THR . 9.9 t -141.55 69.44 25.89 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 110.402 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 87.07 1.36 Allowed 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.518 1.799 . . . . 0.0 110.987 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 208' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -121.66 -57.67 1.8 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.398 1.061 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . 19.0 t70 178.3 -50.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.582 1.176 . . . . 0.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -55.68 118.17 4.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 109.297 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . 0.63 HG22 HG23 ' A' ' 213' ' ' VAL . 3.4 m -144.68 94.48 2.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.433 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.38 113.47 0.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 213' ' ' VAL . . . . . 0.63 HG23 HG22 ' A' ' 211' ' ' THR . 48.8 t -138.67 94.91 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.326 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 214' ' ' LEU . . . . . . . . . . . . . 1.2 tt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.582 1.176 . . . . 0.0 109.282 -179.964 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -63.9 -178.01 0.29 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.62 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -78.09 146.59 35.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.568 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -56.52 130.62 45.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.414 1.071 . . . . 0.0 109.562 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -99.53 166.67 11.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 109.604 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.3 t -161.31 113.84 1.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.958 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.6 t -80.14 -57.75 3.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -124.25 153.19 17.5 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.471 1.107 . . . . 0.0 110.957 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.422 ' CE1' ' O ' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -158.16 174.61 14.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.403 0.707 . . . . 0.0 109.675 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.422 ' O ' ' CE1' ' A' ' 9' ' ' HIS . 7.1 pt -74.42 166.67 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.589 1.181 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -115.94 170.83 8.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 0.0 110.273 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -110.37 -164.83 19.2 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.521 1.138 . . . . 0.0 110.968 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -144.06 82.39 1.71 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 0.748 . . . . 0.0 110.331 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.2 m170 -142.7 65.07 1.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.65 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.556 ' HG3' ' CE1' ' A' ' 48' ' ' PHE . 3.0 ttt 62.04 108.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.978 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 43.3 tp60 -80.99 145.72 31.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.323 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.43 -36.97 7.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.6 pttt -64.59 -40.1 94.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -52.97 -47.13 68.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.478 ' CD2' ' CE ' ' A' ' 15' ' ' MET . 17.0 mt -62.69 -36.82 84.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -63.16 -57.26 11.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.424 1.078 . . . . 0.0 110.295 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.32 -45.47 69.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.455 ' HA ' ' CG ' ' A' ' 26' ' ' GLU . 57.7 mt -51.97 -50.81 32.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.581 1.175 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -50.64 -31.52 16.36 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.518 1.137 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.26 -71.06 0.36 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.661 ' CD ' HG23 ' A' ' 40' ' ' THR . 7.3 pt-20 -46.46 -24.53 0.52 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.517 1.136 . . . . 0.0 110.328 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.575 HG23 HG21 ' A' ' 40' ' ' THR . 14.1 t -80.6 -47.96 20.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.1 t -46.5 -37.46 7.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.024 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -59.16 -42.37 90.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.472 ' CB ' ' HB3' ' A' ' 36' ' ' GLN . . . -62.92 179.27 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.47 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -130.56 163.21 49.94 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.47 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.1 Cg_endo -75.04 63.29 6.02 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.516 1.798 . . . . 0.0 110.965 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 161.7 -34.28 0.37 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.2 t -68.42 141.65 93.6 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.464 0.744 . . . . 0.0 109.988 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 52.07 2.96 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.521 1.801 . . . . 0.0 111.063 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.472 ' HB3' ' CB ' ' A' ' 30' ' ' ALA . 9.5 tp60 -120.93 -41.83 2.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.34 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.422 ' HD1' HG13 ' A' ' 27' ' ' VAL . 3.6 t80 -64.21 -63.0 1.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 9.5 tpt -47.56 -47.09 28.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.937 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -51.17 -48.18 61.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.544 1.152 . . . . 0.0 110.323 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.661 HG23 ' CD ' ' A' ' 26' ' ' GLU . 5.1 m -56.46 -27.71 57.68 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.478 1.111 . . . . 0.0 110.435 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.672 HG22 HD21 ' A' ' 118' ' ' LEU . 4.6 mm -74.81 -39.67 45.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.888 ' HD2' HD13 ' A' ' 118' ' ' LEU . 5.8 mmm180 -74.63 -22.48 58.89 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.6 tp -78.17 -48.3 16.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.53 -49.47 73.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.977 HG11 HD11 ' A' ' 118' ' ' LEU . 0.3 OUTLIER -60.75 -26.61 38.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.328 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -95.29 0.07 53.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.271 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -89.26 -72.11 0.57 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.388 1.055 . . . . 0.0 110.246 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.556 ' CE1' ' HG3' ' A' ' 15' ' ' MET . 8.0 p90 -110.42 -26.4 9.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.427 ' CB ' ' O ' ' A' ' 48' ' ' PHE . 1.9 m-20 76.75 92.58 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.352 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.436 ' HB2' ' CB ' ' A' ' 54' ' ' ASP . 18.1 Cg_endo -75.02 143.39 28.94 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.524 1.802 . . . . 0.0 110.984 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.8 p -65.69 -173.62 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.381 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 98' ' ' ARG . . . -65.83 -52.44 50.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.429 ' HD3' ' N ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -55.7 -39.86 71.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.436 ' CB ' ' HB2' ' A' ' 50' ' ' PRO . 96.3 m-20 -59.12 -40.0 84.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 109.351 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 1.012 HD13 ' CG ' ' A' ' 117' ' ' TRP . 26.0 mt -64.61 -44.63 89.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.438 ' CA ' ' OE1' ' A' ' 56' ' ' GLN . 4.0 tp60 -55.34 -51.6 66.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.298 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -64.92 -45.03 87.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.335 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 20.7 tp -56.19 -31.95 63.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.498 HD12 ' HB2' ' A' ' 63' ' ' CYS . 46.0 tp -64.23 -58.11 7.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.46 -23.1 67.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.531 1.145 . . . . 0.0 110.316 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -63.22 -59.44 4.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.7 mt -96.06 -69.28 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.498 ' HB2' HD12 ' A' ' 59' ' ' LEU . 68.4 m -51.97 137.88 25.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.559 1.162 . . . . 0.0 108.245 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.9 t -75.59 -177.59 3.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 109.988 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 36.5 m -61.24 -51.29 69.59 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.491 1.119 . . . . 0.0 109.974 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.1 tp -53.37 -61.21 2.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.523 ' CG1' HD13 ' A' ' 124' ' ' LEU . 18.4 t -54.41 -56.52 9.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.475 ' HA ' HD21 ' A' ' 59' ' ' LEU . . . -43.97 -37.45 2.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.2 p -75.99 -38.75 57.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.976 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 67' ' ' VAL . 20.2 mt -59.88 -54.57 44.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.558 ' CE1' ' CD1' ' A' ' 117' ' ' TRP . 2.0 t60 -60.28 -38.82 84.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.556 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -50.31 -35.71 28.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.576 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -74.07 -63.65 1.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.364 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -47.96 -28.21 2.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 110.383 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.826 HD13 ' CD1' ' A' ' 79' ' ' ILE . 0.4 OUTLIER -79.91 -49.01 12.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -52.05 -46.8 65.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.395 1.059 . . . . 0.0 109.277 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.27 -33.57 75.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.125 . . . . 0.0 110.046 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.912 HD23 ' HG ' ' A' ' 116' ' ' LEU . 4.2 tp -56.74 -56.59 19.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.404 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.826 ' CD1' HD13 ' A' ' 75' ' ' LEU . 2.3 mp -53.19 -46.69 56.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.466 ' HA ' ' CG ' ' A' ' 83' ' ' GLU . 33.4 t -47.93 -31.74 5.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.95 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -72.03 -50.4 28.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.344 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.964 ' HB1' HD11 ' A' ' 87' ' ' ILE . . . -58.08 -60.13 4.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -51.45 -43.36 62.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.249 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.3 m -57.22 -44.84 84.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.326 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.79 -0.18 49.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.576 1.172 . . . . 0.0 110.315 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 55.52 81.7 0.06 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.485 1.115 . . . . 0.0 110.97 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 1.089 HD13 HD21 ' A' ' 109' ' ' LEU . 3.6 mt -40.26 140.24 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.763 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 87' ' ' ILE . 1.6 t -38.09 -30.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 110.348 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.706 ' H ' HG22 ' A' ' 87' ' ' ILE . . . -142.63 58.07 0.55 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.475 1.109 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 83' ' ' GLU . 23.0 t80 -79.41 174.5 11.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 0.793 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.54 ' ND2' HD12 ' A' ' 93' ' ' LEU . 0.2 OUTLIER -160.18 115.3 1.45 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -35.44 3.16 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.536 1.809 . . . . 0.0 110.992 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.996 ' O ' HD22 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -55.34 -22.04 17.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.117 . . . . 0.0 109.288 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.831 ' N ' HD13 ' A' ' 93' ' ' LEU . . . -101.38 54.33 0.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.467 ' C ' ' O ' ' A' ' 94' ' ' ALA . . . -31.88 -55.29 0.38 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.499 1.124 . . . . 0.0 111.045 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.415 ' CD ' ' N ' ' A' ' 95' ' ' GLY . 18.3 Cg_endo -75.0 85.42 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.486 1.782 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.878 HD11 HD22 ' A' ' 109' ' ' LEU . 6.2 tp -42.81 -41.43 3.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 109.345 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.432 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 3.4 ptt180 -46.93 -38.99 11.43 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.467 1.105 . . . . 0.0 110.294 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 70.1 t -73.05 -49.25 40.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.163 . . . . 0.0 109.302 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.628 HE21 ' HB3' ' A' ' 94' ' ' ALA . 1.3 tt0 -55.71 -20.33 14.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.254 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -102.54 15.79 28.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 109.287 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -120.88 -2.45 9.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.392 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -92.44 138.14 24.21 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 48.63 2.06 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.501 1.79 . . . . 0.0 111.046 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -140.3 -48.31 0.44 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.493 1.121 . . . . 0.0 110.251 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -80.96 90.68 5.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -89.87 -29.34 18.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.132 . . . . 0.0 110.276 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -68.19 -58.99 6.69 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 1.089 HD21 HD13 ' A' ' 87' ' ' ILE . 0.5 OUTLIER -65.88 -12.46 54.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 0.777 . . . . 0.0 109.26 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -72.36 -56.78 4.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 110.228 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -46.86 85.8 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 113' ' ' TYR . 0.0 OUTLIER -52.17 -33.99 42.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 110.264 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.491 ' HA ' HD22 ' A' ' 116' ' ' LEU . 3.5 t80 -68.96 -45.31 71.04 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.547 1.154 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -50.22 -43.6 52.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.297 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -77.16 -45.81 25.48 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.446 1.091 . . . . 0.0 110.319 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.912 ' HG ' HD23 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -53.22 -35.48 59.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.274 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 1.012 ' CG ' HD13 ' A' ' 55' ' ' LEU . 32.0 t90 -68.68 -63.77 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 107.964 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.977 HD11 HG11 ' A' ' 45' ' ' VAL . 97.8 mt -45.41 -28.53 0.89 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.113 . . . . 0.0 109.368 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.539 ' HB3' ' O ' ' A' ' 116' ' ' LEU . . . -63.25 -66.36 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.424 ' HB3' ' ND1' ' A' ' 71' ' ' HIS . . . -56.74 -25.2 54.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.639 ' CE1' ' CZ2' ' A' ' 117' ' ' TRP . 0.4 OUTLIER -71.71 -47.93 50.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.555 1.159 . . . . 0.0 111.009 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.426 ' HB1' ' HB3' ' A' ' 128' ' ' ALA . . . -80.19 -0.2 35.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 109.253 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -88.89 1.51 55.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.604 1.19 . . . . 0.0 109.23 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.523 HD13 ' CG1' ' A' ' 67' ' ' VAL . 53.8 mt -74.75 156.53 86.52 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.102 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -6.36 17.98 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.438 1.757 . . . . 0.0 110.981 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -140.52 58.04 0.59 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.548 1.155 . . . . 0.0 110.937 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 22.7 t -148.57 -53.75 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 0.728 . . . . 0.0 110.03 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.426 ' HB3' ' HB1' ' A' ' 122' ' ' ALA . . . -161.13 120.11 2.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.243 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.68 146.22 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -176.97 91.09 0.25 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 112.04 3.47 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.461 1.769 . . . . 0.0 111.045 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.59 -24.52 56.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.978 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.591 ' CE3' HD11 ' A' ' 172' ' ' LEU . 43.0 p-90 -76.49 -21.59 55.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 108.005 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.6 -9.01 47.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 57.0 p -125.78 30.35 5.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.96 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.533 HD12 ' HA ' ' A' ' 133' ' ' TRP . 18.0 mt -123.39 120.63 60.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.573 1.171 . . . . 0.0 109.235 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.564 HD23 ' CG ' ' A' ' 176' ' ' ASN . 0.3 OUTLIER -137.17 149.12 47.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 109.242 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.608 ' OE1' ' CD2' ' A' ' 144' ' ' TYR . 0.8 OUTLIER -73.67 127.22 32.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -92.28 134.68 12.34 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.465 1.103 . . . . 0.0 110.943 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.511 ' O ' ' CH2' ' A' ' 205' ' ' TRP . 0.0 OUTLIER -49.51 -42.78 44.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 0.754 . . . . 0.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -100.61 38.8 1.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -128.54 161.26 58.11 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 110.258 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . 0.558 ' HB2' ' HB3' ' A' ' 146' ' ' ALA . 18.4 Cg_endo -74.99 104.48 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.562 1.822 . . . . 0.0 111.043 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . 0.626 ' O ' HG23 ' A' ' 148' ' ' VAL . 0.5 OUTLIER -55.75 -62.99 1.32 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 111.032 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . 0.419 ' CD2' ' C ' ' A' ' 145' ' ' HIS . 1.2 t-160 -45.26 -44.95 11.7 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.57 1.169 . . . . 0.0 109.64 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.558 ' HB3' ' HB2' ' A' ' 143' ' ' PRO . . . -63.32 -50.88 68.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 138' ' ' GLN . 9.8 t80 -53.38 -38.75 63.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 110.928 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.884 ' CG1' HD21 ' A' ' 195' ' ' LEU . 47.0 t -64.6 -58.46 7.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -48.13 -41.69 27.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 153' ' ' ILE . 0.4 OUTLIER -68.42 -58.64 4.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.277 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.826 ' O ' HD12 ' A' ' 155' ' ' LEU . 0.2 OUTLIER -39.37 -32.76 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . 0.413 ' N ' ' C ' ' A' ' 150' ' ' ARG . 2.5 t30 -72.79 -53.99 10.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.436 ' N ' ' O ' ' A' ' 150' ' ' ARG . 4.2 mt -59.74 -64.72 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.345 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -42.18 -37.19 1.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 0.826 HD12 ' O ' ' A' ' 151' ' ' LEU . 4.1 mt -64.2 -65.58 0.66 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -49.06 -23.48 1.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.284 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.39 -25.99 68.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -148.52 43.34 0.81 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.483 1.115 . . . . 0.0 111.029 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.708 HD12 ' HB2' ' A' ' 165' ' ' LYS . 0.4 OUTLIER -126.05 103.67 26.67 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.497 0.763 . . . . 0.0 109.348 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 141.31 26.29 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.483 1.781 . . . . 0.0 110.993 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -50.29 -28.11 7.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.363 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -60.95 -22.82 60.7 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.457 1.098 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' THR . . . . . 0.424 HG23 ' HD2' ' A' ' 164' ' ' PRO . 0.9 OUTLIER -118.71 141.84 30.66 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.513 0.772 . . . . 0.0 110.409 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' PRO . . . . . 0.424 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.6 Cg_endo -74.95 143.8 29.68 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.468 1.773 . . . . 0.0 110.975 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . 0.708 ' HB2' HD12 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -117.44 -37.38 3.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . 0.51 ' N ' ' CD ' ' A' ' 167' ' ' PRO . 0.3 OUTLIER -41.54 -51.5 8.82 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.345 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' PRO . . . . . 0.51 ' CD ' ' N ' ' A' ' 166' ' ' ASP . 18.3 Cg_endo -75.03 -48.58 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.543 1.812 . . . . 0.0 110.995 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . 0.728 HG23 HD12 ' A' ' 172' ' ' LEU . 0.0 OUTLIER -50.52 -33.38 11.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . 0.842 ' CD2' HD22 ' A' ' 195' ' ' LEU . 34.5 tp -62.24 -66.51 0.53 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 24.2 ptt85 -54.83 -36.15 64.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.347 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . 0.4 ' O ' ' OG ' ' A' ' 175' ' ' SER . 0.2 OUTLIER -69.79 -23.65 63.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.999 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.741 ' HB3' HD11 ' A' ' 151' ' ' LEU . 3.9 mt -84.29 -48.91 9.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . 0.907 ' O ' ' HB2' ' A' ' 177' ' ' ALA . . . -63.68 -13.14 40.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -103.7 -51.41 3.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 171' ' ' SER . 93.7 p -66.05 -36.3 82.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.018 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . 0.564 ' CG ' HD23 ' A' ' 137' ' ' LEU . 69.5 m-20 -113.15 61.09 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.359 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . 0.907 ' HB2' ' O ' ' A' ' 173' ' ' ALA . . . -129.23 138.69 51.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . 0.442 ' OD1' ' NE2' ' A' ' 138' ' ' GLN . 2.6 p-10 -52.14 -176.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.35 -55.32 5.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -52.7 -27.84 19.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.162 . . . . 0.0 110.291 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 181' ' ' CYS . . . . . 0.73 ' SG ' ' HB1' ' A' ' 177' ' ' ALA . 9.0 t -77.85 -65.53 0.96 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.55 1.156 . . . . 0.0 108.273 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . 0.455 ' O ' ' CG ' ' A' ' 186' ' ' GLN . 0.0 OUTLIER -47.79 -35.3 9.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.101 . . . . 0.0 110.254 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 183' ' ' LYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 187' ' ' ALA . 6.4 ttpt -70.53 -33.55 71.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.373 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.61 HD23 ' HG3' ' A' ' 188' ' ' ARG . 4.2 tt -68.04 -56.42 8.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . 0.711 HD23 ' NE2' ' A' ' 190' ' ' HIS . 9.7 mt -53.87 -58.16 8.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . 0.942 ' OE1' HG21 ' A' ' 191' ' ' THR . 4.5 mm100 -53.41 -53.41 51.59 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.479 1.112 . . . . 0.0 110.341 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 187' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 183' ' ' LYS . . . -53.04 -46.96 68.7 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.633 1.208 . . . . 0.0 109.309 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . 0.61 ' HG3' HD23 ' A' ' 184' ' ' LEU . 0.0 OUTLIER -59.87 -28.12 67.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 110.338 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 71.62 54.41 8.62 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.472 1.107 . . . . 0.0 111.032 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . 0.711 ' NE2' HD23 ' A' ' 185' ' ' LEU . 2.2 p80 -153.89 36.0 0.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 0.764 . . . . 0.0 109.584 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . 0.942 HG21 ' OE1' ' A' ' 186' ' ' GLN . 1.3 p -61.58 -49.98 74.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 110.432 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -83.08 58.41 4.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 193' ' ' SER . . . . . 0.535 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER -136.32 179.99 1.22 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.003 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . 0.535 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.1 Cg_endo -75.06 -174.96 2.14 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.494 1.786 . . . . 0.0 110.982 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . 0.884 HD21 ' CG1' ' A' ' 148' ' ' VAL . 14.5 tp -79.62 -40.61 28.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.416 1.072 . . . . 0.0 109.373 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -45.68 -43.92 11.83 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.467 1.105 . . . . 0.0 110.988 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . 0.493 ' HB3' ' CE1' ' A' ' 190' ' ' HIS . 5.8 t0 -66.38 -32.75 74.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 0.8 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 198' ' ' MET . . . . . 0.584 ' HG3' HD21 ' A' ' 185' ' ' LEU . 42.1 ttm -61.36 -45.52 94.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.96 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 199' ' ' LEU . . . . . 0.599 HD21 HG11 ' A' ' 148' ' ' VAL . 2.7 mm? -67.23 -23.59 65.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.346 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 200' ' ' ARG . . . . . 0.408 ' O ' ' CD ' ' A' ' 203' ' ' GLN . 7.3 mtp180 -84.02 -12.92 54.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.344 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -96.45 -43.21 7.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 202' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 205' ' ' TRP . 14.0 p -77.54 -15.56 59.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 108.385 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 203' ' ' GLN . . . . . 0.448 ' HG3' ' N ' ' A' ' 204' ' ' THR . 15.6 pt20 -41.72 -46.65 3.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.266 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 204' ' ' THR . . . . . 0.448 ' N ' ' HG3' ' A' ' 203' ' ' GLN . 0.0 OUTLIER -71.73 -33.43 68.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.385 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 205' ' ' TRP . . . . . 0.511 ' CH2' ' O ' ' A' ' 140' ' ' LEU . 1.9 t90 -71.26 61.07 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 206' ' ' THR . . . . . 0.418 ' N ' ' O ' ' A' ' 204' ' ' THR . 11.6 t -146.37 118.6 4.96 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.401 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 77.72 3.05 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.55 1.816 . . . . 0.0 110.974 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 208' ' ' LYS . . . . . . . . . . . . . 3.7 mttp -176.4 103.57 0.06 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.572 1.17 . . . . 0.0 109.348 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -179.55 96.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.77 67.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.596 1.185 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 33.1 p -133.14 128.12 35.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.556 1.16 . . . . 0.0 110.382 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -150.75 -66.14 0.19 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 213' ' ' VAL . . . . . . . . . . . . . 62.7 t 48.64 92.49 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 214' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 34.5 m170 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -152.66 149.49 28.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.552 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -126.52 175.05 8.2 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.451 1.094 . . . . 0.0 109.571 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -155.75 174.81 14.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.584 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -162.22 174.77 12.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.416 1.072 . . . . 0.0 109.607 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.0 p -170.28 -57.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.115 . . . . 0.0 110.003 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.8 m 62.71 106.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 110.008 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -86.8 -156.42 28.99 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.491 1.12 . . . . 0.0 110.968 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.402 ' O ' HD13 ' A' ' 10' ' ' ILE . 3.7 p80 -153.11 175.3 13.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 0.782 . . . . 0.0 109.576 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.402 HD13 ' O ' ' A' ' 9' ' ' HIS . 25.2 mm -115.72 131.6 67.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -85.99 164.77 17.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 57.59 157.5 0.02 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.528 1.142 . . . . 0.0 110.986 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.53 85.87 1.73 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 0.734 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.6 m170 -112.94 66.17 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.579 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.433 ' HE3' ' HE1' ' A' ' 48' ' ' PHE . 2.8 ttt 53.22 102.02 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.484 1.115 . . . . 0.0 110.967 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' A' ' 19' ' ' ASP . 4.3 pm0 -81.17 148.26 29.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.9 tpt -46.29 -30.71 2.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 0.0 110.94 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.41 -37.21 82.64 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.567 1.167 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 16' ' ' GLN . 54.4 m-20 -63.14 -54.88 30.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.582 ' HA ' HD12 ' A' ' 23' ' ' ILE . 8.4 mt -56.7 -33.3 66.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -64.66 -53.1 52.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.03 -41.32 87.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.237 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.582 HD12 ' HA ' ' A' ' 20' ' ' LEU . 61.4 mt -56.2 -53.89 34.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.356 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.623 ' HA ' HD21 ' A' ' 62' ' ' LEU . 7.0 ttpp -54.01 -23.24 12.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.593 1.183 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -78.87 -69.96 0.53 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.608 1.193 . . . . 0.0 110.225 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.767 ' CD ' HG23 ' A' ' 40' ' ' THR . 2.7 pt-20 -48.69 -23.17 0.94 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.503 1.127 . . . . 0.0 110.249 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.851 HG23 HG21 ' A' ' 40' ' ' THR . 2.9 t -79.83 -52.83 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.566 1.166 . . . . 0.0 109.352 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.28 -31.18 8.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.956 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -63.11 -45.59 91.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 110.289 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.708 ' HB1' ' HB2' ' A' ' 36' ' ' GLN . . . -53.33 174.76 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.461 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -95.93 162.73 23.02 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.461 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.0 Cg_endo -75.05 81.54 2.2 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.488 1.783 . . . . 0.0 110.934 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 106.93 61.47 0.58 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.545 1.153 . . . . 0.0 110.967 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.69 161.09 51.17 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.403 0.708 . . . . 0.0 110.037 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 48.19 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.563 1.823 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.708 ' HB2' ' HB1' ' A' ' 30' ' ' ALA . 63.2 mm-40 -121.58 -64.77 1.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.754 ' HE1' HD13 ' A' ' 62' ' ' LEU . 2.6 t80 -47.85 -48.72 30.82 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.507 1.13 . . . . 0.0 110.934 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 10.6 tpt -55.1 -48.44 73.57 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.437 1.085 . . . . 0.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -55.06 -45.5 75.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 110.272 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.851 HG21 HG23 ' A' ' 27' ' ' VAL . 1.2 m -54.02 -32.29 53.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.361 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.776 HG22 HD21 ' A' ' 118' ' ' LEU . 3.1 mm -66.53 -56.18 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.431 ' CD ' HD13 ' A' ' 118' ' ' LEU . 0.1 OUTLIER -55.76 -34.85 65.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.327 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.22 -51.58 67.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.402 1.063 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.88 -36.57 83.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.458 HG22 ' HD2' ' A' ' 50' ' ' PRO . 1.4 t -67.85 -30.87 49.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -88.64 -6.64 57.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -84.4 -74.73 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.322 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.433 ' HE1' ' HE3' ' A' ' 15' ' ' MET . 1.2 p90 -114.94 -18.95 11.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 68.85 97.87 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.42 1.075 . . . . 0.0 109.395 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.458 ' HD2' HG22 ' A' ' 45' ' ' VAL . 18.2 Cg_endo -74.97 123.66 8.06 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.499 1.789 . . . . 0.0 111.014 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 42.3 p -55.27 -169.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.396 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.42 -44.64 74.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.431 ' HD3' ' N ' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -60.21 -40.91 91.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.353 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.431 ' N ' ' HD3' ' A' ' 53' ' ' LYS . 87.0 m-20 -65.22 -36.43 84.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.354 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 1.106 HD13 ' CG ' ' A' ' 117' ' ' TRP . 22.1 mt -69.43 -46.32 67.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -51.25 -50.35 59.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.589 1.18 . . . . 0.0 110.339 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.418 ' C ' ' N ' ' A' ' 59' ' ' LEU . 0.3 OUTLIER -70.56 -55.18 9.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.446 HD13 HD23 ' A' ' 20' ' ' LEU . 20.1 tp -45.42 -26.04 0.5 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.42 HD11 ' HA ' ' A' ' 68' ' ' ALA . 30.6 tp -75.89 -53.04 9.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -87.58 22.36 2.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 110.32 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.501 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 28.1 t80 -120.58 -34.97 3.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 110.986 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.754 HD13 ' HE1' ' A' ' 37' ' ' PHE . 2.1 mt -95.45 -63.16 1.19 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.333 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.498 ' SG ' HG12 ' A' ' 67' ' ' VAL . 16.5 p -86.46 170.75 11.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.564 1.165 . . . . 0.0 108.355 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.5 m -81.54 -177.94 6.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.018 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 32.7 t -66.54 -37.7 85.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 110.017 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.46 ' C ' HD12 ' A' ' 66' ' ' LEU . 1.6 tp -51.62 -68.18 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.511 ' HA ' HD12 ' A' ' 70' ' ' LEU . 2.4 t -52.05 -52.33 24.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.4 1.063 . . . . 0.0 109.281 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.42 ' HA ' HD11 ' A' ' 59' ' ' LEU . . . -44.32 -41.41 6.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.3 t -71.01 -41.33 71.04 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.461 1.1 . . . . 0.0 109.947 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 67' ' ' VAL . 52.6 mt -58.39 -50.03 75.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.229 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.455 ' CE1' ' HB3' ' A' ' 120' ' ' ALA . 0.9 OUTLIER -61.59 -42.83 99.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.598 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.31 -23.85 25.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.56 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -80.02 -71.23 0.47 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.352 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.796 ' OE1' ' HB3' ' A' ' 123' ' ' ALA . 1.7 pt20 -49.03 -41.09 33.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.337 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.567 HD23 ' HB2' ' A' ' 120' ' ' ALA . 1.3 tm? -62.89 -52.15 64.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -44.93 -35.54 2.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.16 . . . . 0.0 109.317 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.7 t -66.49 -45.32 80.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 110.024 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.732 ' HB3' HD12 ' A' ' 116' ' ' LEU . 11.0 mp -49.91 -51.77 38.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.684 HD12 HD11 ' A' ' 116' ' ' LEU . 1.2 mp -52.2 -54.76 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.086 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.408 ' O ' ' CB ' ' A' ' 84' ' ' THR . 0.2 OUTLIER -41.6 -31.9 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.0 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -76.61 -46.42 26.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.291 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.888 ' HB1' HG12 ' A' ' 87' ' ' ILE . . . -62.24 -66.05 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -46.07 -38.28 7.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.337 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.408 ' CB ' ' O ' ' A' ' 80' ' ' SER . 1.4 m -62.55 -48.72 78.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.431 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.94 -3.9 28.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 84.02 -11.75 56.23 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.502 1.126 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.888 HG12 ' HB1' ' A' ' 82' ' ' ALA . 66.1 mt 63.9 157.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.552 0.795 . . . . 0.0 109.256 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.2 t -42.32 -47.93 4.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 110.372 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -169.97 53.73 0.2 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.432 1.082 . . . . 0.0 111.034 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.637 ' CG ' HD12 ' A' ' 87' ' ' ILE . 30.4 t80 -78.42 154.43 30.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 0.786 . . . . 0.0 110.982 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.562 HD22 HD12 ' A' ' 93' ' ' LEU . 0.9 OUTLIER -112.87 95.53 34.09 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -26.89 10.54 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.492 1.786 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.878 HD13 ' N ' ' A' ' 94' ' ' ALA . 0.0 OUTLIER -57.66 -34.05 68.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.878 ' N ' HD13 ' A' ' 93' ' ' LEU . . . -63.27 -64.48 0.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.526 ' N ' ' CD ' ' A' ' 96' ' ' PRO . . . 125.41 -48.99 0.93 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.48 1.112 . . . . 0.0 111.012 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.526 ' CD ' ' N ' ' A' ' 95' ' ' GLY . 18.5 Cg_endo -74.98 158.74 42.1 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.506 1.793 . . . . 0.0 110.982 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.476 ' CD2' HG12 ' A' ' 79' ' ' ILE . 47.6 tp -120.04 -52.46 2.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.248 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.96 -25.18 27.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.221 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.473 ' CG2' ' HB2' ' A' ' 96' ' ' PRO . 84.0 t -65.83 -43.66 93.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.425 ' HA ' ' ND2' ' A' ' 103' ' ' ASN . 23.5 mp0 -74.99 -9.98 59.04 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.494 1.121 . . . . 0.0 110.351 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -114.89 15.21 17.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 56.3 m-20 -121.83 -0.75 9.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.449 1.093 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.425 ' ND2' ' HA ' ' A' ' 100' ' ' GLN . 10.8 p30 -105.23 124.22 37.19 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.358 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 48.92 2.11 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.437 1.756 . . . . 0.0 110.961 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -121.78 -56.71 1.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.418 ' NE2' ' HB2' ' A' ' 109' ' ' LEU . 3.9 pt20 -98.11 95.83 7.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 110.358 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -75.2 -7.68 54.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.257 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -59.95 -57.97 16.58 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.53 1.144 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.418 ' HB2' ' NE2' ' A' ' 106' ' ' GLN . 1.3 mt -81.19 -31.58 33.92 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 0.767 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.2 ttp85 -56.42 -50.6 71.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -70.37 -44.15 68.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 110.277 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -54.29 -44.83 72.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.236 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.455 ' CD1' HD12 ' A' ' 55' ' ' LEU . 7.4 t80 -61.78 -43.64 98.45 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.563 1.165 . . . . 0.0 111.039 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.56 -44.37 62.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.271 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 118' ' ' LEU . 0.8 OUTLIER -78.01 -62.59 1.62 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 0.0 110.36 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.732 HD12 ' HB3' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -40.4 -33.5 0.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.366 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 1.106 ' CG ' HD13 ' A' ' 55' ' ' LEU . 65.7 t90 -72.31 -55.58 6.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 107.975 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.776 HD21 HG22 ' A' ' 41' ' ' ILE . 52.6 mt -51.0 -31.92 19.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.406 1.066 . . . . 0.0 109.238 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.69 -60.87 3.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.243 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.567 ' HB2' HD23 ' A' ' 75' ' ' LEU . . . -56.52 -29.37 61.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -76.58 -18.3 58.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.153 . . . . 0.0 111.088 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -109.14 3.95 22.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.28 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.796 ' HB3' ' OE1' ' A' ' 74' ' ' GLN . . . -95.8 -1.87 48.76 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.258 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 83.6 mt -69.02 147.72 97.75 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.368 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -7.48 19.22 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.467 1.772 . . . . 0.0 111.006 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -106.13 -52.32 0.79 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.47 1.106 . . . . 0.0 111.05 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 46.7 t -40.62 -60.57 1.11 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.447 0.733 . . . . 0.0 109.992 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -104.82 118.38 36.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -173.58 176.99 2.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.4 t70 177.15 96.97 0.12 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.605 ' HG2' ' HB2' ' A' ' 134' ' ' ALA . 18.2 Cg_endo -74.96 160.73 39.92 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.5 1.789 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.41 -32.18 64.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.976 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.767 ' HA ' HD12 ' A' ' 136' ' ' ILE . 18.1 p-90 -74.63 -10.58 59.68 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.605 ' HB2' ' HG2' ' A' ' 131' ' ' PRO . . . -66.18 -11.06 47.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 109.238 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 26.4 t -133.59 33.51 3.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.005 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.767 HD12 ' HA ' ' A' ' 133' ' ' TRP . 60.7 mt -118.42 118.17 57.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.573 1.171 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.23 166.28 23.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.548 ' HG3' ' CD1' ' A' ' 144' ' ' TYR . 10.7 tm0? -87.8 113.27 23.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -70.46 154.13 52.21 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.681 HD23 HD22 ' A' ' 178' ' ' ASN . 2.0 tm? -61.82 -39.48 91.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 0.763 . . . . 0.0 109.355 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -112.02 40.19 2.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 110.283 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -125.29 158.04 65.36 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.32 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . 0.4 ' HB2' ' HB3' ' A' ' 146' ' ' ALA . 18.1 Cg_endo -75.1 96.19 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.502 1.79 . . . . 0.0 110.972 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . 0.959 ' O ' HG23 ' A' ' 148' ' ' VAL . 4.1 t80 -60.63 -44.39 96.41 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.444 1.09 . . . . 0.0 111.002 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . 0.494 ' HA ' ' CD1' ' A' ' 199' ' ' LEU . 0.4 OUTLIER -55.08 -57.82 10.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 109.501 -179.915 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.4 ' HB3' ' HB2' ' A' ' 143' ' ' PRO . . . -56.01 -47.42 77.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.58 -43.56 62.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 111.062 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.959 HG23 ' O ' ' A' ' 144' ' ' TYR . 47.8 t -57.25 -44.31 83.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.616 1.197 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -56.79 -58.34 8.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.327 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.88 -47.87 79.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.36 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.602 ' O ' HD12 ' A' ' 155' ' ' LEU . 1.1 mt -43.71 -42.31 5.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -63.63 -47.98 79.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 4.4 mt -62.64 -69.36 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.446 1.091 . . . . 0.0 109.335 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -41.31 -31.71 0.25 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 0.602 HD12 ' O ' ' A' ' 151' ' ' LEU . 7.1 mt -69.69 -60.77 2.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -50.15 -22.65 1.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -75.07 -29.81 60.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . 0.591 ' O ' HD22 ' A' ' 159' ' ' LEU . . . -129.76 41.09 1.59 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.538 1.148 . . . . 0.0 111.05 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.591 HD22 ' O ' ' A' ' 158' ' ' GLY . 0.6 OUTLIER -133.49 119.73 15.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.428 0.722 . . . . 0.0 109.295 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -170.38 0.77 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.593 1.838 . . . . 0.0 111.059 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -91.0 -30.45 16.8 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.459 1.099 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -99.15 48.92 1.26 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.536 1.147 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' THR . . . . . 0.496 HG23 ' HD2' ' A' ' 164' ' ' PRO . 1.3 m -149.23 140.23 14.05 Favored Pre-proline 0 C--N 1.324 -0.541 0 O-C-N 124.489 0.758 . . . . 0.0 110.427 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' PRO . . . . . 0.496 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.2 Cg_endo -75.04 131.69 14.53 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . 0.585 ' HB2' HD12 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -120.67 -39.97 2.7 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.575 1.172 . . . . 0.0 109.326 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . 0.52 ' CB ' ' HD3' ' A' ' 167' ' ' PRO . 0.4 OUTLIER -40.99 -53.64 6.07 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.259 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' PRO . . . . . 0.52 ' HD3' ' CB ' ' A' ' 166' ' ' ASP . 18.2 Cg_endo -74.97 -45.9 0.26 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.584 1.833 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . 0.485 HG22 ' N ' ' A' ' 169' ' ' LEU . 0.0 OUTLIER -49.61 -52.83 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . 0.485 ' N ' HG22 ' A' ' 168' ' ' ILE . 47.9 tp -52.36 -54.24 34.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . 0.49 ' HG3' HD13 ' A' ' 195' ' ' LEU . 0.6 OUTLIER -61.96 -14.62 36.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.3 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . 0.52 ' O ' ' CB ' ' A' ' 175' ' ' SER . 0.3 OUTLIER -83.46 -35.24 25.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.58 1.175 . . . . 0.0 110.013 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.575 HD21 ' CE3' ' A' ' 133' ' ' TRP . 1.5 mt -84.51 -16.02 43.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . 0.539 ' O ' ' HB2' ' A' ' 177' ' ' ALA . . . -94.22 -29.35 15.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 174' ' ' TYR . . . . . 0.732 ' CD2' HD13 ' A' ' 185' ' ' LEU . 12.0 t80 -110.54 -64.49 1.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.986 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 171' ' ' SER . 0.1 OUTLIER -52.7 -20.74 3.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 110.029 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -126.06 60.59 1.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . 0.539 ' HB2' ' O ' ' A' ' 173' ' ' ALA . . . -132.53 143.14 49.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . 0.681 HD22 HD23 ' A' ' 140' ' ' LEU . 0.8 OUTLIER -54.15 -172.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.087 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -72.82 -68.52 0.48 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . 0.557 ' HB2' HD21 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -43.09 -34.91 1.15 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.338 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 181' ' ' CYS . . . . . 0.471 ' SG ' ' HB1' ' A' ' 177' ' ' ALA . 15.6 t -65.92 -67.03 0.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 108.328 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . 0.45 ' O ' ' NE2' ' A' ' 186' ' ' GLN . 1.4 tt0 -53.28 -41.34 65.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.338 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.69 -37.13 85.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.252 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.697 ' C ' HD23 ' A' ' 184' ' ' LEU . 3.6 tt -61.09 -60.86 3.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.59 1.181 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . 0.732 HD13 ' CD2' ' A' ' 174' ' ' TYR . 6.5 mt -42.79 -42.2 3.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . 0.45 ' NE2' ' O ' ' A' ' 182' ' ' GLN . 0.8 OUTLIER -67.37 -59.55 3.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.273 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -50.2 -39.5 44.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . 0.425 ' NH1' ' HA ' ' A' ' 188' ' ' ARG . 0.0 OUTLIER -54.46 -53.66 51.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.219 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 114.12 34.33 1.66 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.498 1.123 . . . . 0.0 110.984 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . 0.488 ' O ' ' ND1' ' A' ' 190' ' ' HIS . 0.0 OUTLIER -167.54 118.3 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 0.798 . . . . 0.0 109.56 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 1.9 p -120.97 -52.04 2.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 110.386 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -88.6 45.94 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 193' ' ' SER . . . . . 0.514 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER -109.44 178.93 0.92 Allowed Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.46 1.1 . . . . 0.0 110.03 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . 0.514 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.1 Cg_endo -75.06 154.75 42.43 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.581 1.832 . . . . 0.0 110.935 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . 0.49 HD13 ' HG3' ' A' ' 170' ' ' ARG . 3.3 tp -50.58 -48.3 57.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.538 1.149 . . . . 0.0 109.357 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -43.51 -35.81 3.02 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.525 1.141 . . . . 0.0 111.021 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.19 -38.44 27.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 0.79 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 198' ' ' MET . . . . . 0.556 ' SD ' HD21 ' A' ' 185' ' ' LEU . 17.1 mmm -61.22 -39.17 89.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 110.96 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 199' ' ' LEU . . . . . 0.849 HD21 HG11 ' A' ' 148' ' ' VAL . 3.5 mm? -75.28 -30.14 60.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.404 1.065 . . . . 0.0 109.352 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 33.8 ttm180 -79.77 -6.54 57.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -95.99 -33.77 12.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.137 . . . . 0.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 202' ' ' CYS . . . . . . . . . . . . . 29.7 p -90.76 -16.78 27.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.165 . . . . 0.0 108.323 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -48.42 -23.19 0.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.427 1.079 . . . . 0.0 110.325 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 204' ' ' THR . . . . . 0.475 ' OG1' HG22 ' A' ' 206' ' ' THR . 0.1 OUTLIER -116.91 -48.96 2.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.457 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 205' ' ' TRP . . . . . 0.519 ' HA ' HD11 ' A' ' 184' ' ' LEU . 4.7 t90 39.73 58.04 2.13 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 206' ' ' THR . . . . . 0.475 HG22 ' OG1' ' A' ' 204' ' ' THR . 6.4 t -174.83 143.0 0.77 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.434 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 207' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 206' ' ' THR . 18.3 Cg_endo -75.05 167.2 27.51 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.386 1.73 . . . . 0.0 111.028 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 208' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.98 74.1 1.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.347 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.63 168.71 9.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.57 122.85 48.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 22.8 m -57.45 132.83 54.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.41 1.069 . . . . 0.0 110.416 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.39 158.1 16.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 213' ' ' VAL . . . . . . . . . . . . . 7.1 p -130.89 124.96 57.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.533 1.146 . . . . 0.0 109.35 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 214' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -137.5 156.86 47.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.575 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.4 p-80 -87.95 129.03 35.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 109.623 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 19.6 m-70 -98.57 168.98 9.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.152 . . . . 0.0 109.603 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -66.32 132.46 48.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.63 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 76.1 p -108.1 146.29 32.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.052 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 73.5 m -131.59 123.25 27.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.009 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -53.74 -95.89 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.518 1.136 . . . . 0.0 111.024 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.1 t-160 -134.35 102.28 5.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 0.753 . . . . 0.0 109.591 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.633 HG22 ' O ' ' A' ' 10' ' ' ILE . 68.8 mt -128.87 67.33 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 60.41 121.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 110.276 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -66.62 -154.05 0.28 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.472 1.107 . . . . 0.0 111.026 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -177.93 46.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 0.766 . . . . 0.0 110.306 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.3 m170 47.84 49.47 16.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.55 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.59 ' HE3' HD23 ' A' ' 20' ' ' LEU . 1.8 tpt 58.39 95.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -96.01 170.37 9.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 110.33 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.8 tpt -54.12 -39.32 66.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 111.014 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.7 ttpt -59.34 -45.35 91.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -57.18 -55.94 28.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.772 ' HA ' HD12 ' A' ' 23' ' ' ILE . 26.0 mt -51.67 -40.12 59.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.245 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -60.99 -54.92 39.05 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.47 1.106 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.34 -39.83 64.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.772 HD12 ' HA ' ' A' ' 20' ' ' LEU . 66.9 mt -57.37 -62.46 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.4 tttm -42.07 -32.33 0.45 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -72.38 -72.3 0.24 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 110.327 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.641 ' HG3' HG21 ' A' ' 40' ' ' THR . 8.8 pt-20 -45.5 -25.62 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 110.325 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.1 t -76.82 -46.86 29.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.575 1.172 . . . . 0.0 109.334 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.5 t -46.86 -39.75 12.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.933 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -59.66 -38.39 81.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.472 ' CB ' ' HB3' ' A' ' 36' ' ' GLN . . . -68.96 177.37 2.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.436 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -129.22 162.04 54.8 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.436 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.3 Cg_endo -75.06 63.27 6.03 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.452 1.764 . . . . 0.0 110.97 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 162.87 -33.04 0.3 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.17 142.23 92.54 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.464 0.743 . . . . 0.0 110.005 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 50.96 2.67 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.497 1.788 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.472 ' HB3' ' CB ' ' A' ' 30' ' ' ALA . 13.2 tp60 -120.89 -38.91 2.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.52 ' CE1' HD11 ' A' ' 41' ' ' ILE . 2.7 t80 -64.47 -64.72 0.81 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.449 1.093 . . . . 0.0 110.973 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 10.1 tpt -49.13 -46.4 44.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.102 . . . . 0.0 110.993 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -52.15 -43.71 64.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.108 . . . . 0.0 110.295 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.641 HG21 ' HG3' ' A' ' 26' ' ' GLU . 1.2 m -61.6 -27.17 68.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.357 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.697 HG22 HD21 ' A' ' 118' ' ' LEU . 5.7 mm -74.77 -33.07 29.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.533 ' HD2' HD13 ' A' ' 118' ' ' LEU . 17.9 mmm-85 -79.23 -25.3 42.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.375 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.25 -38.62 35.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.426 1.079 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.81 -41.04 79.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.426 1.079 . . . . 0.0 109.314 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.573 HG11 HD11 ' A' ' 118' ' ' LEU . 0.5 OUTLIER -68.86 -33.59 60.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.425 1.078 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -89.04 -0.45 57.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.592 1.183 . . . . 0.0 110.312 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -89.87 -70.33 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 0.0 110.334 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.579 ' CE1' ' SD ' ' A' ' 15' ' ' MET . 3.9 p90 -114.52 -23.8 9.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.603 1.189 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 72.61 93.21 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.402 ' HB2' ' CB ' ' A' ' 54' ' ' ASP . 18.4 Cg_endo -75.03 131.11 13.89 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.533 1.807 . . . . 0.0 111.048 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.444 ' N ' ' OD2' ' A' ' 54' ' ' ASP . 7.2 p -57.32 -168.23 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 110.48 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.01 -47.46 51.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.419 ' HG2' ' N ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -61.53 -31.38 71.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.113 . . . . 0.0 109.252 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.444 ' OD2' ' N ' ' A' ' 51' ' ' THR . 93.8 m-20 -66.96 -41.77 86.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 1.007 HD13 ' CG ' ' A' ' 117' ' ' TRP . 37.4 mt -61.65 -40.72 95.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.37 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' A' ' 56' ' ' GLN . 4.3 tp60 -57.23 -53.19 60.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.413 ' N ' ' HG3' ' A' ' 56' ' ' GLN . 66.6 t0 -64.51 -38.49 91.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.485 ' HB2' HD21 ' A' ' 20' ' ' LEU . 16.4 tp -64.57 -24.39 67.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.255 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.507 HD12 ' HB2' ' A' ' 63' ' ' CYS . 19.8 tp -70.98 -54.45 11.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.224 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -6.92 32.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 110.305 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -81.5 -54.21 5.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.972 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.8 mt -106.83 -61.56 1.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.507 ' HB2' HD12 ' A' ' 59' ' ' LEU . 4.0 m -52.23 117.0 2.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 108.28 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.43 ' O ' ' CB ' ' A' ' 68' ' ' ALA . 0.5 OUTLIER -57.46 -179.82 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 110.003 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.46 -50.96 67.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 109.995 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.598 HD11 HD11 ' A' ' 70' ' ' LEU . 3.7 tp -64.74 -55.89 17.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.561 HG13 HD13 ' A' ' 124' ' ' LEU . 2.4 t -51.57 -47.32 37.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 64' ' ' SER . . . -54.46 -39.59 67.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.352 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.0 m -63.16 -60.33 3.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.998 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.598 HD11 HD11 ' A' ' 66' ' ' LEU . 6.6 mt -51.08 -43.04 60.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.596 1.185 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.738 ' CE1' ' HB3' ' A' ' 120' ' ' ALA . 8.7 t-80 -60.49 -39.0 86.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.614 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -25.28 68.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.552 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -74.41 -54.68 7.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.271 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.493 ' O ' HD13 ' A' ' 78' ' ' LEU . 2.9 mt-30 -53.72 -22.38 9.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.427 1.08 . . . . 0.0 110.27 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.981 ' CD1' HD21 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -82.09 -60.28 2.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.376 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -40.51 -37.08 0.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.02 -45.53 26.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.008 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.703 ' HB3' HD12 ' A' ' 116' ' ' LEU . 1.3 mp -56.37 -59.91 4.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.363 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.588 HG12 HD22 ' A' ' 97' ' ' LEU . 1.4 mt -48.26 -50.58 11.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.415 1.072 . . . . 0.0 109.33 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.421 ' HA ' ' CG ' ' A' ' 83' ' ' GLU . 3.9 t -46.75 -32.14 3.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.96 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -69.55 -42.68 74.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.439 1.087 . . . . 0.0 110.271 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.905 ' HB1' HG12 ' A' ' 87' ' ' ILE . . . -67.0 -64.65 0.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.264 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.421 ' CG ' ' HA ' ' A' ' 80' ' ' SER . 0.0 OUTLIER -48.3 -27.37 2.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.341 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.2 m -69.39 -40.96 77.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.429 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -83.45 0.1 47.75 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.5 1.125 . . . . 0.0 110.267 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 84.58 -8.15 70.05 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.905 HG12 ' HB1' ' A' ' 82' ' ' ALA . 84.7 mt 60.14 152.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 109.34 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.725 HG23 ' H ' ' A' ' 89' ' ' GLY . 0.0 OUTLIER -43.1 -65.96 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.373 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.725 ' H ' HG23 ' A' ' 88' ' ' THR . . . -146.25 57.46 0.51 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.497 ' CE1' HD12 ' A' ' 97' ' ' LEU . 58.2 t80 -79.35 158.91 27.35 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.505 0.768 . . . . 0.0 111.027 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.561 HD22 HD12 ' A' ' 93' ' ' LEU . 1.2 m120 -113.72 93.91 30.58 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.419 ' HA ' ' CE2' ' A' ' 90' ' ' TYR . 18.2 Cg_endo -75.04 -30.06 7.5 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.563 1.823 . . . . 0.0 110.963 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.803 HD22 ' C ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -56.71 -29.0 61.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.729 ' N ' HD13 ' A' ' 93' ' ' LEU . . . -72.67 -63.36 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.238 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.525 ' N ' ' CD ' ' A' ' 96' ' ' PRO . . . 122.21 -49.93 0.86 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.509 1.131 . . . . 0.0 110.954 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.525 ' CD ' ' N ' ' A' ' 95' ' ' GLY . 18.3 Cg_endo -75.0 163.14 35.92 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.478 1.778 . . . . 0.0 110.978 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.588 HD22 HG12 ' A' ' 79' ' ' ILE . 2.5 tp -121.04 -50.29 2.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -22.62 66.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.143 . . . . 0.0 110.335 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.492 ' CG2' ' HB2' ' A' ' 96' ' ' PRO . 61.4 t -69.87 -58.62 5.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.474 ' OE1' ' CD1' ' A' ' 90' ' ' TYR . 7.5 pt20 -70.17 -21.84 63.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.259 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -75.85 -4.41 40.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -97.55 -1.54 43.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.389 1.055 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.417 ' OD1' ' N ' ' A' ' 103' ' ' ASN . 0.7 OUTLIER -94.67 142.55 24.89 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -28.46 9.11 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.471 1.774 . . . . 0.0 111.022 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -50.72 -49.14 58.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.581 1.176 . . . . 0.0 110.316 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.4 ' O ' ' OE1' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -94.03 40.2 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 110.284 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -47.76 -23.71 0.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.332 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.04 -58.13 13.06 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.894 HD11 HG21 ' A' ' 87' ' ' ILE . 0.5 OUTLIER -58.55 -43.88 89.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 0.748 . . . . 0.0 109.335 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -45.34 -43.93 11.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.452 ' O ' ' CG ' ' A' ' 114' ' ' GLN . 0.5 OUTLIER -65.46 -52.58 52.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 110.379 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -45.22 -31.15 1.4 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.451 ' CD1' HD12 ' A' ' 55' ' ' LEU . 1.1 t80 -74.52 -41.46 60.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.494 ' HG3' ' N ' ' A' ' 115' ' ' GLN . 0.9 OUTLIER -61.04 -24.6 66.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.494 ' N ' ' HG3' ' A' ' 114' ' ' GLN . 0.0 OUTLIER -90.06 -59.05 2.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.354 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 1.037 HD23 ' N ' ' A' ' 117' ' ' TRP . 0.0 OUTLIER -52.08 -32.58 35.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.596 1.185 . . . . 0.0 109.318 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 1.037 ' N ' HD23 ' A' ' 116' ' ' LEU . 73.8 t90 -73.34 -66.67 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 108.05 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.697 HD21 HG22 ' A' ' 41' ' ' ILE . 21.0 mt -42.51 -34.5 0.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.59 -63.93 1.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.738 ' HB3' ' CE1' ' A' ' 71' ' ' HIS . . . -55.11 -24.89 28.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.713 ' CE2' ' CH2' ' A' ' 117' ' ' TRP . 2.1 t80 -75.13 -19.5 59.87 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -112.36 3.29 16.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.226 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -92.03 -3.33 55.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.561 HD13 HG13 ' A' ' 67' ' ' VAL . 76.6 mt -72.94 152.74 90.98 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -9.24 20.6 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.43 1.753 . . . . 0.0 111.0 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -104.39 -38.8 2.54 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.546 1.154 . . . . 0.0 110.97 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.541 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 46.7 t -63.32 103.78 0.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 0.783 . . . . 0.0 109.956 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.541 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 74.07 97.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.213 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.33 -176.56 5.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -123.73 165.24 24.31 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.829 ' HG2' ' HB2' ' A' ' 134' ' ' ALA . 18.4 Cg_endo -74.99 142.82 28.34 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.456 1.766 . . . . 0.0 110.998 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.74 -23.01 56.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.036 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.615 ' HA ' HD12 ' A' ' 136' ' ' ILE . 38.2 p-90 -76.38 -20.93 56.68 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.559 1.162 . . . . 0.0 107.993 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.829 ' HB2' ' HG2' ' A' ' 131' ' ' PRO . . . -68.28 -9.21 45.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.385 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.36 27.4 8.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 0.0 109.956 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.615 HD12 ' HA ' ' A' ' 133' ' ' TRP . 5.3 mt -121.73 120.67 62.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 109.255 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.547 HD23 ' CB ' ' A' ' 176' ' ' ASN . 0.8 OUTLIER -135.77 165.9 24.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 109.363 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.497 ' NE2' ' CH2' ' A' ' 205' ' ' TRP . 1.5 tt0 -104.07 114.21 28.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.319 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -72.44 166.96 53.71 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.449 1.093 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.743 HD13 ' O ' ' A' ' 140' ' ' LEU . 1.7 tm? -62.48 -40.82 97.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 0.75 . . . . 0.0 109.326 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -109.81 39.96 2.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -115.02 150.51 44.33 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 110.358 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . 0.622 ' HB2' ' HB3' ' A' ' 146' ' ' ALA . 18.4 Cg_endo -75.02 92.76 0.97 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.568 1.825 . . . . 0.0 111.024 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . 0.648 ' O ' HG23 ' A' ' 148' ' ' VAL . 15.3 t80 -57.66 -54.64 44.63 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.409 1.068 . . . . 0.0 110.986 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -48.3 -49.55 33.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.603 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.622 ' HB3' ' HB2' ' A' ' 143' ' ' PRO . . . -65.11 -36.41 84.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . 0.406 ' CZ ' ' O ' ' A' ' 137' ' ' LEU . 0.1 OUTLIER -67.66 -41.86 83.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.73 HG11 HD21 ' A' ' 199' ' ' LEU . 91.5 t -55.55 -45.75 78.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.362 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.09 -56.77 17.51 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 153' ' ' ILE . 1.0 OUTLIER -55.89 -56.37 21.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.265 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.821 ' O ' HD12 ' A' ' 155' ' ' LEU . 0.3 OUTLIER -39.87 -36.86 0.49 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.42 1.075 . . . . 0.0 109.338 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . 0.493 ' OD1' HD22 ' A' ' 169' ' ' LEU . 1.7 t30 -65.88 -52.46 49.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.442 ' N ' ' O ' ' A' ' 150' ' ' ARG . 3.2 mt -64.4 -66.88 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 O-C-N 124.593 1.183 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 153' ' ' ILE . . . -38.47 -31.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 0.821 HD12 ' O ' ' A' ' 151' ' ' LEU . 1.8 mt -68.22 -61.81 1.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.408 1.068 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -50.96 -22.23 2.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.343 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -67.12 -24.37 65.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.595 1.184 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -145.41 39.08 1.19 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.476 1.11 . . . . 0.0 110.944 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.708 HD12 ' HB2' ' A' ' 165' ' ' LYS . 0.5 OUTLIER -123.48 109.95 30.57 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.52 0.776 . . . . 0.0 109.31 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 147.94 34.48 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.502 1.79 . . . . 0.0 111.021 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -12.84 24.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.355 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -81.24 -8.34 87.36 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.472 1.108 . . . . 0.0 110.959 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' THR . . . . . 0.516 HG23 ' HD2' ' A' ' 164' ' ' PRO . 1.2 m -129.23 141.42 41.74 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.468 0.746 . . . . 0.0 110.343 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' PRO . . . . . 0.516 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.1 Cg_endo -75.01 138.02 22.47 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.496 1.787 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . 0.708 ' HB2' HD12 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -113.04 -32.37 6.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . 0.52 ' N ' ' CD ' ' A' ' 167' ' ' PRO . 0.4 OUTLIER -43.74 -51.21 17.15 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 166' ' ' ASP . 18.2 Cg_endo -75.01 -54.45 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.446 1.761 . . . . 0.0 110.986 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . 0.759 HG23 HD12 ' A' ' 172' ' ' LEU . 0.0 OUTLIER -41.41 -34.67 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . 0.493 HD22 ' OD1' ' A' ' 152' ' ' ASN . 15.8 tp -62.25 -65.17 0.73 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.155 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . 0.591 ' HG3' HD13 ' A' ' 195' ' ' LEU . 5.6 mtp180 -55.09 -33.15 62.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.324 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . 0.421 ' O ' ' CB ' ' A' ' 175' ' ' SER . 0.1 OUTLIER -74.8 -19.66 60.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.034 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.759 HD12 HG23 ' A' ' 168' ' ' ILE . 3.1 mt -87.8 -68.58 0.75 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.463 1.102 . . . . 0.0 109.354 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . 0.965 ' O ' ' HB2' ' A' ' 177' ' ' ALA . . . -42.71 -32.99 0.65 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -81.5 -59.43 2.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.598 1.186 . . . . 0.0 110.981 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 171' ' ' SER . 36.8 m -50.42 -22.32 1.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.977 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . 0.547 ' CB ' HD23 ' A' ' 137' ' ' LEU . 25.4 p30 -133.51 56.46 1.85 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . 0.965 ' HB2' ' O ' ' A' ' 173' ' ' ALA . . . -114.07 61.43 0.66 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . 0.511 ' OD1' ' CD2' ' A' ' 140' ' ' LEU . 1.5 t-20 39.3 -158.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.8 -15.4 14.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 0.0 109.362 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . 0.413 ' HB2' ' CD2' ' A' ' 140' ' ' LEU . 0.1 OUTLIER -96.04 -41.43 8.75 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.509 1.13 . . . . 0.0 110.347 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 181' ' ' CYS . . . . . 0.537 ' SG ' ' HB1' ' A' ' 177' ' ' ALA . 29.2 t -64.66 -55.62 18.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.392 1.058 . . . . 0.0 108.295 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -49.99 -41.79 47.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.277 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 2.9 tmmm? -64.73 -53.13 51.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.82 HD23 ' O ' ' A' ' 184' ' ' LEU . 4.3 tt -44.49 -38.72 4.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.351 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 3.0 mt -61.51 -63.79 1.16 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.542 1.151 . . . . 0.0 109.34 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.7 -51.78 46.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 110.311 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -57.99 -47.13 83.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . 0.408 ' HD2' ' HB1' ' A' ' 201' ' ' ALA . 1.3 tpm_? -51.24 -39.8 57.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.4 1.062 . . . . 0.0 110.267 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 100.97 48.17 1.5 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . 0.575 ' CE1' ' HB3' ' A' ' 197' ' ' ASP . 0.0 OUTLIER -179.52 114.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 0.739 . . . . 0.0 109.542 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 1.2 p -121.23 -50.26 2.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.427 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 192' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 193' ' ' SER . 0.7 OUTLIER -72.98 -21.75 60.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.356 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 193' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 192' ' ' ASN . 0.1 OUTLIER -42.74 165.15 0.11 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.929 -179.884 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 163.98 34.13 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.492 1.785 . . . . 0.0 110.918 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . 0.891 HD12 ' SD ' ' A' ' 198' ' ' MET . 1.9 tp -51.02 -44.61 61.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -42.53 -41.63 4.25 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . 0.575 ' HB3' ' CE1' ' A' ' 190' ' ' HIS . 0.3 OUTLIER -78.25 -41.25 34.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 0.741 . . . . 0.0 109.398 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 198' ' ' MET . . . . . 0.891 ' SD ' HD12 ' A' ' 195' ' ' LEU . 75.1 mtp -52.99 -51.57 61.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 199' ' ' LEU . . . . . 0.73 HD21 HG11 ' A' ' 148' ' ' VAL . 2.1 mm? -66.07 -32.23 73.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.94 -9.04 58.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ALA . . . . . 0.408 ' HB1' ' HD2' ' A' ' 188' ' ' ARG . . . -99.82 -43.77 6.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.112 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 202' ' ' CYS . . . . . . . . . . . . . 12.5 p -78.06 -9.52 59.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 108.277 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 203' ' ' GLN . . . . . 0.431 ' HG3' ' N ' ' A' ' 204' ' ' THR . 15.0 pt20 -53.03 -44.94 67.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.468 1.105 . . . . 0.0 110.27 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 204' ' ' THR . . . . . 0.431 ' N ' ' HG3' ' A' ' 203' ' ' GLN . 0.1 OUTLIER -79.74 -9.9 59.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.55 1.156 . . . . 0.0 110.431 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 205' ' ' TRP . . . . . 0.497 ' CH2' ' NE2' ' A' ' 138' ' ' GLN . 7.6 t90 -71.5 60.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.592 1.182 . . . . 0.0 107.915 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 206' ' ' THR . . . . . 0.459 ' O ' HG23 ' A' ' 206' ' ' THR . 14.9 t -173.76 114.06 0.33 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 110.371 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 136.73 20.7 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.522 1.801 . . . . 0.0 110.97 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 208' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 56.1 172.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 109.313 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . 1.1 t70 56.84 100.57 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 109.355 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 8.2 mttm -120.98 144.26 48.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 5.4 m -97.03 99.8 11.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.38 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.9 91.72 0.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 213' ' ' VAL . . . . . . . . . . . . . 3.0 p -106.66 -24.87 3.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 214' ' ' LEU . . . . . . . . . . . . . 4.1 tp . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 179.956 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -129.74 -56.93 1.13 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 109.565 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -45.14 -62.66 1.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.594 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.7 t60 74.65 -62.49 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.715 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 75.6 -62.57 0.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.56 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.4 t 62.1 145.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.98 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -161.03 131.59 5.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.963 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 157.64 95.41 0.11 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.507 1.129 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.412 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.4 OUTLIER -129.55 68.15 1.43 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.587 0.816 . . . . 0.0 109.566 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.412 ' C ' ' O ' ' A' ' 9' ' ' HIS . 2.8 pt 39.43 -154.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.436 1.085 . . . . 0.0 109.252 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -158.58 136.08 10.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 0.0 110.311 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -155.55 67.97 0.3 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.528 1.142 . . . . 0.0 111.043 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -147.25 142.27 27.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 0.777 . . . . 0.0 110.272 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.485 ' CE1' ' O ' ' A' ' 49' ' ' ASP . 2.1 p80 -120.16 46.9 1.86 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.467 1.105 . . . . 0.0 109.549 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.596 ' SD ' ' CZ ' ' A' ' 48' ' ' PHE . 1.2 tpt 177.62 84.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 111.055 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.7 pm0 -96.56 166.45 11.67 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.385 1.053 . . . . 0.0 110.281 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.408 ' O ' ' N ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -48.15 -40.02 22.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.969 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.8 ttpt -50.93 -48.04 60.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.25 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.437 ' OD2' ' CE2' ' A' ' 48' ' ' PHE . 4.5 m-20 -60.17 -57.13 14.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.666 ' HA ' HD12 ' A' ' 23' ' ' ILE . 11.3 mt -55.98 -25.55 44.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.313 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 17' ' ' MET . 0.3 OUTLIER -74.47 -54.59 7.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.421 1.076 . . . . 0.0 110.258 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.03 -36.58 70.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.255 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.707 HG22 HD11 ' A' ' 62' ' ' LEU . 43.0 mt -60.87 -47.63 92.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.8 ttpp -54.02 -29.85 45.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -73.2 -68.53 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.638 ' CD ' HG23 ' A' ' 40' ' ' THR . 4.0 pt-20 -50.19 -24.57 2.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.342 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.912 HG23 HG21 ' A' ' 40' ' ' THR . 5.0 t -81.12 -47.8 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.1 t -47.1 -26.33 1.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.928 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.83 -40.08 66.05 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.578 1.174 . . . . 0.0 110.343 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.465 ' CB ' ' HB3' ' A' ' 36' ' ' GLN . . . -46.46 167.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.351 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.58 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -109.86 168.0 8.29 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.58 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.3 Cg_endo -75.0 110.24 3.08 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.501 1.79 . . . . 0.0 111.067 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 72.71 49.08 19.55 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.562 1.164 . . . . 0.0 110.991 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 35.6 m -134.6 154.22 79.47 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.588 0.816 . . . . 0.0 110.042 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 51.05 2.69 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.576 1.83 . . . . 0.0 111.025 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.465 ' HB3' ' CB ' ' A' ' 30' ' ' ALA . 1.0 OUTLIER -121.25 -52.61 2.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.41 1.069 . . . . 0.0 110.333 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.472 ' CE1' HD11 ' A' ' 41' ' ' ILE . 2.2 t80 -62.47 -60.59 3.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.405 ' CE ' HD22 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -49.35 -39.54 32.18 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.479 1.112 . . . . 0.0 111.023 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -57.55 -43.45 84.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.087 . . . . 0.0 110.304 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.912 HG21 HG23 ' A' ' 27' ' ' VAL . 1.1 m -62.81 -26.26 68.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.15 . . . . 0.0 110.391 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.708 HG22 HD21 ' A' ' 118' ' ' LEU . 18.8 mm -68.45 -53.0 31.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.417 1.073 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.474 ' HD2' HD13 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -61.34 -27.73 68.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.316 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.405 ' O ' ' CG ' ' A' ' 47' ' ' GLN . 0.2 OUTLIER -67.82 -43.39 79.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.76 -38.38 83.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -67.59 -32.86 58.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 109.356 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -89.18 -5.61 57.57 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.462 1.101 . . . . 0.0 110.299 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.405 ' CG ' ' O ' ' A' ' 43' ' ' LEU . 3.2 mm-40 -85.04 -75.33 0.36 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.596 ' CZ ' ' SD ' ' A' ' 15' ' ' MET . 3.5 p90 -114.34 -10.45 12.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 111.021 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.485 ' O ' ' CE1' ' A' ' 14' ' ' HIS . 10.9 t0 59.91 94.29 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.09 . . . . 0.0 109.285 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 159.6 41.37 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.502 1.791 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 61.2 p -94.58 -174.93 3.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.581 1.175 . . . . 0.0 110.406 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.81 -50.56 73.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.429 ' HD3' ' N ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -57.68 -37.31 73.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.429 ' N ' ' HD3' ' A' ' 53' ' ' LYS . 79.9 m-20 -70.24 -38.4 75.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.423 1.077 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.998 HD13 ' CG ' ' A' ' 117' ' ' TRP . 21.8 mt -66.63 -41.25 88.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -56.33 -55.85 28.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.095 . . . . 0.0 110.314 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -62.37 -39.74 94.16 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.4 HD12 ' O ' ' A' ' 58' ' ' LEU . 13.0 tp -59.31 -36.18 75.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.527 HD13 ' HE1' ' A' ' 121' ' ' PHE . 24.9 tp -65.94 -32.43 73.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.46 2.29 56.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.599 1.187 . . . . 0.0 110.255 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.595 ' CE1' ' O ' ' A' ' 20' ' ' LEU . 1.6 t80 -98.06 -49.98 4.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 111.055 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.707 HD11 HG22 ' A' ' 23' ' ' ILE . 42.9 mt -105.18 -59.8 1.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.454 ' CB ' HD12 ' A' ' 59' ' ' LEU . 1.7 m -55.68 137.01 50.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.105 . . . . 0.0 108.314 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.55 176.51 9.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 110.048 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 9.8 m -60.49 -61.03 2.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.999 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.463 ' O ' HD12 ' A' ' 66' ' ' LEU . 5.5 tp -51.94 -44.91 64.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.343 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.3 t -61.94 -58.19 8.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -45.27 -35.68 3.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.3 m -69.9 -50.87 38.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.021 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.44 ' O ' ' NE2' ' A' ' 74' ' ' GLN . 19.6 mt -55.77 -48.36 75.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.509 ' CD2' ' C ' ' A' ' 71' ' ' HIS . 0.1 OUTLIER -59.83 -38.14 81.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 109.606 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -57.68 -34.5 69.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.647 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -67.54 -46.52 72.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.274 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.476 ' OE1' ' HB3' ' A' ' 123' ' ' ALA . 3.9 mt-30 -65.19 -51.16 62.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 110.231 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.716 HD23 ' HB2' ' A' ' 120' ' ' ALA . 0.2 OUTLIER -53.03 -34.68 57.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.359 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -60.26 -62.44 1.87 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.67 -33.47 68.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.069 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.932 HD23 ' HG ' ' A' ' 116' ' ' LEU . 1.4 tp -62.57 -52.04 64.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.395 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.546 ' CD1' HD13 ' A' ' 75' ' ' LEU . 0.9 OUTLIER -57.46 -61.33 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.28 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.439 ' O ' ' CB ' ' A' ' 84' ' ' THR . 5.5 m -45.36 -27.11 0.63 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.957 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -73.31 -43.06 61.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.374 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.887 ' HB1' HG12 ' A' ' 87' ' ' ILE . . . -62.71 -58.75 6.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.578 1.173 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -55.44 -39.47 70.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.276 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.439 ' CB ' ' O ' ' A' ' 80' ' ' SER . 3.2 m -64.4 -48.72 74.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 110.418 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.63 0.22 21.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 110.27 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 72.2 94.25 0.08 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.547 1.155 . . . . 0.0 111.021 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.887 HG12 ' HB1' ' A' ' 82' ' ' ALA . 48.1 mt -60.8 166.58 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.553 0.796 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.514 ' N ' HG22 ' A' ' 87' ' ' ILE . 65.5 p -47.02 -96.64 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 110.393 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.449 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -121.83 59.65 0.57 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.491 1.119 . . . . 0.0 110.939 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -81.82 147.46 29.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 111.022 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.7 ' ND2' HD12 ' A' ' 93' ' ' LEU . 0.4 OUTLIER -111.41 98.27 39.49 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.574 1.171 . . . . 0.0 109.312 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -20.65 16.77 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.523 1.802 . . . . 0.0 111.035 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.906 HD13 ' N ' ' A' ' 94' ' ' ALA . 0.0 OUTLIER -60.49 -34.78 74.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.254 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.906 ' N ' HD13 ' A' ' 93' ' ' LEU . . . -61.88 -65.33 0.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.511 ' N ' ' CD ' ' A' ' 96' ' ' PRO . . . 128.06 -50.12 0.9 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 95' ' ' GLY . 18.4 Cg_endo -74.95 160.23 40.57 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.532 1.806 . . . . 0.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.476 ' CD2' HG12 ' A' ' 79' ' ' ILE . 9.8 tp -120.2 -45.1 2.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.448 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 0.0 OUTLIER -65.08 -29.51 70.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 110.242 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 76.7 t -60.55 -40.49 84.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -75.91 -30.76 58.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 110.301 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -70.12 -45.7 66.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 98' ' ' ARG . 22.4 p30 -92.57 31.28 1.37 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -98.92 131.99 24.5 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 48.9 2.1 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.502 1.79 . . . . 0.0 111.03 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -154.58 -45.67 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.29 117.99 22.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -112.19 -24.97 9.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -65.78 -58.51 9.01 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.543 1.152 . . . . 0.0 111.075 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.652 ' CD1' HG21 ' A' ' 87' ' ' ILE . 0.3 OUTLIER -67.12 -45.9 75.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 0.776 . . . . 0.0 109.382 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.415 ' HG2' ' NE2' ' A' ' 114' ' ' GLN . 2.9 ttt180 -43.99 -38.72 3.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.302 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.409 ' C ' ' N ' ' A' ' 113' ' ' TYR . 6.9 mtt180 -78.03 -63.34 1.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 113' ' ' TYR . 0.0 OUTLIER -43.24 -27.08 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.331 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.471 ' HA ' HD22 ' A' ' 116' ' ' LEU . 12.8 t80 -77.57 -53.45 7.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.959 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.445 ' NE2' ' OD1' ' A' ' 49' ' ' ASP . 44.3 mt-30 -43.99 -40.67 4.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 110.358 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.15 -60.5 2.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.322 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.932 ' HG ' HD23 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -41.83 -36.27 1.0 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.998 ' CG ' HD13 ' A' ' 55' ' ' LEU . 70.2 t90 -65.94 -60.7 2.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 107.944 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.708 HD21 HG22 ' A' ' 41' ' ' ILE . 67.5 mt -49.43 -32.45 11.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 116' ' ' LEU . . . -57.1 -60.82 3.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.716 ' HB2' HD23 ' A' ' 75' ' ' LEU . . . -49.22 -47.65 46.11 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.428 1.08 . . . . 0.0 109.264 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.791 ' CE1' ' CZ2' ' A' ' 117' ' ' TRP . 1.2 m-85 -55.98 -41.28 74.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.975 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -86.59 6.74 29.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.557 1.161 . . . . 0.0 109.384 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.476 ' HB3' ' OE1' ' A' ' 74' ' ' GLN . . . -102.77 0.76 33.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 88.6 mt -76.53 151.99 83.17 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 55.86 4.05 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.524 1.802 . . . . 0.0 110.914 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 172.91 -52.09 0.16 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' A' ' 121' ' ' PHE . 27.1 t -39.42 -61.3 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.614 0.832 . . . . 0.0 110.026 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -134.65 -53.9 0.82 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt 68.2 161.95 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.341 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.51 ' N ' ' CD ' ' A' ' 131' ' ' PRO . 0.1 OUTLIER 163.4 -52.11 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.298 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.51 ' CD ' ' N ' ' A' ' 130' ' ' ASP . 18.2 Cg_endo -75.03 112.4 3.55 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.59 1.837 . . . . 0.0 110.983 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.99 -16.06 61.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.611 1.194 . . . . 0.0 110.01 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.685 ' HE3' HD21 ' A' ' 172' ' ' LEU . 42.9 p-90 -78.26 -17.17 57.03 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -80.36 2.98 22.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -117.97 14.36 14.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.045 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.549 ' CG1' ' HA ' ' A' ' 133' ' ' TRP . 2.0 mm -98.55 117.08 42.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.357 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -136.33 107.54 6.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.636 ' NE2' ' CH2' ' A' ' 205' ' ' TRP . 6.3 tm0? -60.06 109.84 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -65.5 161.47 42.43 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.483 1.114 . . . . 0.0 111.042 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.579 HD21 ' HB2' ' A' ' 180' ' ' GLU . 2.4 tm? -60.23 -41.45 93.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.761 . . . . 0.0 109.252 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -111.17 39.97 2.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -113.61 156.01 44.11 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 91.14 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.519 1.799 . . . . 0.0 110.962 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . 0.779 ' O ' HG23 ' A' ' 148' ' ' VAL . 52.9 t80 -52.75 -48.84 66.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 111.02 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . 0.416 ' CD2' ' C ' ' A' ' 145' ' ' HIS . 1.1 t-160 -52.75 -46.23 67.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.608 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -60.8 -45.42 94.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.084 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . 0.463 ' CD2' HG22 ' A' ' 136' ' ' ILE . 2.0 m-85 -55.65 -48.58 74.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.779 HG23 ' O ' ' A' ' 144' ' ' TYR . 13.8 t -53.21 -42.63 47.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.99 -57.22 13.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.336 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.03 -14.42 35.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.429 1.08 . . . . 0.0 110.342 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.497 ' HA ' HD23 ' A' ' 151' ' ' LEU . 3.2 mt -78.46 -44.71 23.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.347 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . 0.457 ' HA ' ' CE ' ' A' ' 165' ' ' LYS . 25.4 t-20 -63.84 -28.77 70.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.458 ' O ' ' N ' ' A' ' 156' ' ' ASP . 4.3 mt -84.41 -58.77 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -48.98 -30.84 6.5 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.479 1.112 . . . . 0.0 109.259 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 0.639 HD22 ' HG ' ' A' ' 159' ' ' LEU . 17.6 mt -82.89 -29.91 28.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.368 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 153' ' ' ILE . 0.2 OUTLIER -71.33 -6.32 39.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 109.366 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 16.0 m-20 -117.76 -38.93 3.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -90.58 -41.27 5.46 Favored Glycine 0 CA--C 1.528 0.896 0 O-C-N 124.501 1.126 . . . . 0.0 111.039 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.66 ' CD1' HG22 ' A' ' 163' ' ' THR . 0.2 OUTLIER -79.01 114.57 45.44 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.473 0.749 . . . . 0.0 109.316 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 150.89 38.91 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.475 1.776 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -57.32 -27.39 62.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 110.263 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -65.94 -19.53 67.78 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.49 1.118 . . . . 0.0 110.994 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' THR . . . . . 0.66 HG22 ' CD1' ' A' ' 159' ' ' LEU . 1.3 m -115.28 141.32 26.97 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.516 0.774 . . . . 0.0 110.395 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' PRO . . . . . 0.529 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.3 Cg_endo -75.0 120.55 6.12 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.498 1.788 . . . . 0.0 111.056 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . 0.511 ' HE2' HD22 ' A' ' 169' ' ' LEU . 0.0 OUTLIER -98.01 -31.03 12.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.341 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . 0.498 ' N ' ' CD ' ' A' ' 167' ' ' PRO . 0.1 OUTLIER -40.68 -52.29 6.45 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.436 1.085 . . . . 0.0 109.288 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 166' ' ' ASP . 18.3 Cg_endo -74.96 -57.48 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.512 1.796 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . 0.817 HG23 HD12 ' A' ' 172' ' ' LEU . 0.0 OUTLIER -45.8 -26.02 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . 0.801 ' CD2' HD22 ' A' ' 195' ' ' LEU . 24.9 tp -65.62 -66.99 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.602 1.189 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . 0.415 ' HG2' ' N ' ' A' ' 171' ' ' SER . 17.9 ptt180 -57.38 -30.21 64.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . 0.415 ' N ' ' HG2' ' A' ' 170' ' ' ARG . 0.1 OUTLIER -75.04 -25.16 58.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.085 . . . . 0.0 110.0 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.817 HD12 HG23 ' A' ' 168' ' ' ILE . 1.0 OUTLIER -80.27 -49.12 12.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . 0.751 ' O ' ' HB2' ' A' ' 177' ' ' ALA . . . -67.85 -14.44 62.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 174' ' ' TYR . . . . . 0.442 ' O ' ' HB3' ' A' ' 177' ' ' ALA . 17.5 t80 -97.23 -62.99 1.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 33.5 t -57.33 -55.6 32.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.991 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -84.93 52.48 2.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . 0.751 ' HB2' ' O ' ' A' ' 173' ' ' ALA . . . -129.44 140.44 51.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.285 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . 0.421 ' OD1' ' N ' ' A' ' 140' ' ' LEU . 0.7 OUTLIER -52.93 -175.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.425 1.078 . . . . 0.0 109.332 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.93 -61.5 1.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . 0.579 ' HB2' HD21 ' A' ' 140' ' ' LEU . 0.3 OUTLIER -43.54 -36.48 2.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.299 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 181' ' ' CYS . . . . . 0.424 ' O ' ' N ' ' A' ' 184' ' ' LEU . 12.2 t -69.45 -69.84 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 108.286 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -45.82 -40.92 10.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 5.0 mtpp -62.96 -38.56 91.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.257 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.475 ' CD1' ' HB2' ' A' ' 205' ' ' TRP . 2.1 tt -59.93 -54.17 49.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . 0.54 ' CD2' ' NE2' ' A' ' 190' ' ' HIS . 43.7 mt -54.71 -56.65 16.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -49.94 -44.11 50.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.281 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -65.31 -25.06 67.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 109.34 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 185' ' ' LEU . 0.3 OUTLIER -87.0 -9.72 54.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.273 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 53.97 46.11 69.86 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . 0.553 ' CG ' ' O ' ' A' ' 190' ' ' HIS . 0.1 OUTLIER -147.03 28.35 1.02 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 0.731 . . . . 0.0 109.622 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . 0.455 ' C ' ' O ' ' A' ' 190' ' ' HIS . 1.2 p -33.12 -49.31 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.442 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 192' ' ' ASN . . . . . 0.441 ' O ' ' O ' ' A' ' 193' ' ' SER . 12.7 m120 -83.5 -109.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.335 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 193' ' ' SER . . . . . 0.529 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.2 OUTLIER 49.01 179.52 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.944 179.931 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . 0.529 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.3 Cg_endo -74.96 170.87 19.45 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.567 1.825 . . . . 0.0 110.964 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . 0.801 HD22 ' CD2' ' A' ' 169' ' ' LEU . 13.3 tp -70.28 -35.95 74.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -47.46 -37.73 12.91 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.439 1.087 . . . . 0.0 111.044 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . 0.466 ' HB3' ' CE1' ' A' ' 190' ' ' HIS . 17.8 t0 -77.96 -36.14 49.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 0.742 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 198' ' ' MET . . . . . 0.445 ' HG3' HD12 ' A' ' 195' ' ' LEU . 75.3 mmm -54.85 -47.52 74.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 199' ' ' LEU . . . . . 0.626 HD21 HG11 ' A' ' 148' ' ' VAL . 2.3 mm? -71.76 -30.05 65.15 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.539 1.15 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.19 -5.98 47.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.342 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -102.63 -28.9 11.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 202' ' ' CYS . . . . . 0.597 ' SG ' ' CD2' ' A' ' 144' ' ' TYR . 0.1 OUTLIER -94.56 -12.0 28.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.092 . . . . 0.0 108.258 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -55.09 -18.15 5.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 110.314 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 204' ' ' THR . . . . . 0.408 ' O ' ' N ' ' A' ' 206' ' ' THR . 0.1 OUTLIER -105.71 -15.21 15.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.32 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 205' ' ' TRP . . . . . 0.636 ' CH2' ' NE2' ' A' ' 138' ' ' GLN . 3.0 t90 -71.36 60.83 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 206' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 204' ' ' THR . 18.1 p -135.32 89.93 21.93 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.413 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 207' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 208' ' ' LYS . 18.5 Cg_endo -74.9 -50.1 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.51 1.795 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 208' ' ' LYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 209' ' ' ASP . 0.0 OUTLIER 40.46 66.53 0.61 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.414 1.071 . . . . 0.0 109.337 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 209' ' ' ASP . . . . . 0.402 ' CB ' ' O ' ' A' ' 208' ' ' LYS . 0.6 OUTLIER 75.14 -60.91 0.5 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.03 165.73 4.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 26.0 m -137.45 96.69 3.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 110.421 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -165.04 87.38 0.43 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.485 1.115 . . . . 0.0 109.249 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 213' ' ' VAL . . . . . . . . . . . . . 35.2 m -150.39 160.57 4.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.425 1.078 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 214' ' ' LEU . . . . . . . . . . . . . 1.7 pp . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.997 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 3.8 t60 . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -56.23 139.52 47.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.419 1.075 . . . . 0.0 109.62 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 22.9 m80 -109.73 160.03 16.66 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.527 1.142 . . . . 0.0 109.674 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 24.5 p80 -151.51 131.86 13.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.083 . . . . 0.0 109.599 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -122.71 91.57 3.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.628 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.7 p -145.81 117.08 7.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.029 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -178.62 -57.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.0 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 41.32 -151.0 0.18 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.445 1.091 . . . . 0.0 111.036 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -165.85 121.79 1.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 0.795 . . . . 0.0 109.57 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.1 pt -126.52 79.94 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -128.83 144.61 51.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.263 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -172.64 70.78 0.1 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.1 126.62 48.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 0.749 . . . . 0.0 110.27 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -73.24 82.17 1.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.57 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.588 ' SD ' ' CZ ' ' A' ' 48' ' ' PHE . 0.5 OUTLIER 60.6 101.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.132 . . . . 0.0 110.988 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.426 ' OE1' ' N ' ' A' ' 16' ' ' GLN . 15.3 pm0 -104.12 162.25 13.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 110.341 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.1 mmt -47.47 -31.03 3.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.94 -46.79 81.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 109.366 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.499 ' OD2' ' CE2' ' A' ' 48' ' ' PHE . 55.5 m-20 -60.7 -59.94 4.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.727 ' HA ' HD12 ' A' ' 23' ' ' ILE . 62.3 mt -47.19 -34.39 6.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.21 -60.19 2.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.336 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.46 -40.71 62.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.727 HD12 ' HA ' ' A' ' 20' ' ' LEU . 34.3 mt -56.37 -51.53 63.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.357 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -50.13 -31.47 13.57 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.479 1.112 . . . . 0.0 109.247 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -72.72 -72.3 0.25 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 110.241 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.488 ' CD ' HG23 ' A' ' 40' ' ' THR . 16.3 pt-20 -45.22 -30.83 1.29 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.281 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.528 HG21 HD13 ' A' ' 62' ' ' LEU . 31.4 t -74.21 -51.27 24.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -43.33 -29.72 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.022 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -68.39 -46.3 70.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.265 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.488 ' HB1' ' HB3' ' A' ' 36' ' ' GLN . . . -46.77 166.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.466 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -105.19 163.02 18.0 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.466 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.3 Cg_endo -74.95 108.89 2.82 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.484 1.781 . . . . 0.0 111.003 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.26 42.71 10.25 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 59.6 p -130.14 153.36 81.11 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.551 0.794 . . . . 0.0 110.0 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 49.57 2.28 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.488 ' HB3' ' HB1' ' A' ' 30' ' ' ALA . 1.4 tp60 -121.39 -47.11 2.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.248 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.414 ' CE1' HD11 ' A' ' 41' ' ' ILE . 2.7 t80 -61.17 -56.55 19.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 111.027 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.55 ' HE1' HD22 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -51.5 -49.18 62.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 111.07 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -49.08 -47.13 45.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.488 HG23 ' CD ' ' A' ' 26' ' ' GLU . 2.9 m -56.7 -32.06 65.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.441 1.088 . . . . 0.0 110.41 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.675 HG22 HD21 ' A' ' 118' ' ' LEU . 5.6 mm -68.34 -40.32 82.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.631 ' HD2' HD13 ' A' ' 118' ' ' LEU . 15.8 mmm180 -66.66 -22.44 66.1 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.566 1.167 . . . . 0.0 110.371 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.08 -50.42 13.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.478 ' HB1' ' CZ ' ' A' ' 48' ' ' PHE . . . -64.95 -34.89 79.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.855 HG11 HD11 ' A' ' 118' ' ' LEU . 1.2 t -72.0 -26.11 24.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.42 1.075 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -95.79 -2.45 47.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -90.84 -68.32 0.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.282 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.588 ' CZ ' ' SD ' ' A' ' 15' ' ' MET . 3.5 p90 -115.44 -30.83 6.11 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.551 1.157 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.47 ' CB ' ' O ' ' A' ' 48' ' ' PHE . 0.9 OUTLIER 79.49 96.1 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.446 1.091 . . . . 0.0 109.344 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.479 ' HD2' HG22 ' A' ' 45' ' ' VAL . 18.3 Cg_endo -74.98 123.56 7.98 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.533 1.807 . . . . 0.0 111.032 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 26.0 p -59.54 -176.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.407 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.81 -46.55 87.36 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.454 1.096 . . . . 0.0 109.255 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -56.12 26.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.598 1.186 . . . . 0.0 109.247 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -52.5 -37.3 57.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 1.142 HD13 ' CG ' ' A' ' 117' ' ' TRP . 13.8 mt -65.42 -42.35 92.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.7 -54.71 38.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.135 . . . . 0.0 110.262 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -64.82 -46.26 82.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.081 . . . . 0.0 109.252 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.433 HD13 ' CD2' ' A' ' 20' ' ' LEU . 15.9 tp -50.38 -32.83 18.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.487 HD12 ' HB2' ' A' ' 63' ' ' CYS . 32.9 tp -70.59 -42.44 71.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -83.81 7.55 17.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.255 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -101.97 -54.41 2.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 111.085 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.616 HD11 HG22 ' A' ' 23' ' ' ILE . 53.8 mt -98.19 -57.69 2.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 109.239 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.501 ' SG ' ' CG1' ' A' ' 67' ' ' VAL . 1.2 m -57.89 164.57 2.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 108.323 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.665 ' O ' ' HB2' ' A' ' 68' ' ' ALA . 15.6 m -99.03 -175.44 3.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.059 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.53 -52.62 30.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.038 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.7 tp -65.77 -55.95 14.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.438 1.086 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.501 ' CG1' ' SG ' ' A' ' 63' ' ' CYS . 1.0 OUTLIER -51.26 -40.01 22.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.314 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.665 ' HB2' ' O ' ' A' ' 64' ' ' SER . . . -57.24 -60.19 3.99 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 109.241 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.407 ' O ' ' HB2' ' A' ' 72' ' ' HIS . 58.3 p -49.67 -42.75 46.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.07 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.3 mt -51.74 -44.28 63.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.531 ' ND1' ' HB3' ' A' ' 120' ' ' ALA . 1.0 OUTLIER -70.99 -37.21 72.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.55 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.407 ' HB2' ' O ' ' A' ' 69' ' ' SER . 25.1 m80 -52.12 -44.83 64.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.592 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.2 tm0? -65.81 -56.0 14.2 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.12 . . . . 0.0 110.283 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.897 ' O ' HD22 ' A' ' 78' ' ' LEU . 43.3 mt-30 -53.61 -27.95 29.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.299 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.52 HD23 ' CB ' ' A' ' 120' ' ' ALA . 0.1 OUTLIER -70.04 -54.36 13.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -53.27 -20.95 4.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.3 m -72.88 -55.54 6.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.045 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.897 HD22 ' O ' ' A' ' 74' ' ' GLN . 0.1 OUTLIER -66.11 -47.84 72.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 109.293 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.654 HD12 ' CD2' ' A' ' 97' ' ' LEU . 29.5 mm -48.75 -38.1 9.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 0.0 109.326 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.6 t -71.78 -35.6 70.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 110.065 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -62.31 -43.44 98.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.613 1.196 . . . . 0.0 110.307 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.801 ' HB1' HG12 ' A' ' 87' ' ' ILE . . . -64.3 -63.6 1.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.257 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -49.66 -36.54 25.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 110.269 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.8 m -62.36 -44.92 95.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.429 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 6.4 mpt_? -77.8 -1.75 33.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.308 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.17 -8.97 59.23 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.596 1.185 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.801 HG12 ' HB1' ' A' ' 82' ' ' ALA . 32.8 mt 58.82 157.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 O-C-N 124.458 0.74 . . . . 0.0 109.309 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.711 HG23 ' H ' ' A' ' 89' ' ' GLY . 0.0 OUTLIER -42.34 -73.53 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.53 1.144 . . . . 0.0 110.367 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.711 ' H ' HG23 ' A' ' 88' ' ' THR . . . -139.16 57.77 0.62 Allowed Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.505 1.128 . . . . 0.0 111.056 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.494 ' HB2' HD11 ' A' ' 109' ' ' LEU . 10.2 t80 -79.49 151.31 30.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 0.767 . . . . 0.0 111.021 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.626 ' ND2' ' HB2' ' A' ' 94' ' ' ALA . 0.1 OUTLIER -115.25 129.67 24.9 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 1.35 7.84 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.491 1.785 . . . . 0.0 110.98 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 1.013 ' O ' HD22 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -94.77 -7.97 38.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.75 ' N ' HD13 ' A' ' 93' ' ' LEU . . . -103.23 56.76 0.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.26 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.486 ' C ' ' O ' ' A' ' 94' ' ' ALA . . . -29.99 -59.43 0.2 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.453 1.095 . . . . 0.0 110.949 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 88.91 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.495 1.787 . . . . 0.0 110.922 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.654 ' CD2' HD12 ' A' ' 79' ' ' ILE . 12.9 tp -47.6 -44.34 26.39 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.553 1.158 . . . . 0.0 109.258 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -48.11 -41.23 25.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 110.312 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 42.6 t -66.56 -34.99 73.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.585 HE21 ' HB3' ' A' ' 94' ' ' ALA . 0.5 OUTLIER -68.51 -36.28 78.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -75.39 -28.54 59.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -61.44 -24.59 66.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -84.37 129.16 58.92 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.404 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -15.56 20.78 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.494 1.786 . . . . 0.0 110.95 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -57.21 -55.59 32.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.32 62.31 4.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -55.92 -27.97 54.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.27 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -58.1 -57.13 21.42 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.583 1.177 . . . . 0.0 110.977 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.76 HD11 HG21 ' A' ' 87' ' ' ILE . 0.5 OUTLIER -71.92 -27.5 62.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 0.767 . . . . 0.0 109.357 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.18 -58.64 7.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.34 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.431 ' NH1' ' OE1' ' A' ' 115' ' ' GLN . 0.0 OUTLIER -61.02 -44.85 96.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.43 1.081 . . . . 0.0 110.308 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -54.56 -48.22 72.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 110.282 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -65.65 -43.73 88.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' A' ' 50' ' ' PRO . 19.4 mm100 -55.62 -49.45 72.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.264 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.431 ' OE1' ' NH1' ' A' ' 111' ' ' ARG . 3.8 tt0 -69.42 -47.77 63.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.459 1.1 . . . . 0.0 110.257 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.911 HD23 ' N ' ' A' ' 117' ' ' TRP . 0.2 OUTLIER -51.16 -47.37 62.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 1.142 ' CG ' HD13 ' A' ' 55' ' ' LEU . 86.1 t90 -54.35 -53.96 46.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 107.99 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.855 HD11 HG11 ' A' ' 45' ' ' VAL . 78.2 mt -55.21 -21.6 14.52 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.832 ' HB3' ' O ' ' A' ' 116' ' ' LEU . . . -68.19 -63.4 1.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.531 ' HB3' ' ND1' ' A' ' 71' ' ' HIS . . . -55.93 -31.96 63.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.404 1.065 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.798 ' CE1' ' CZ2' ' A' ' 117' ' ' TRP . 0.2 OUTLIER -63.54 -42.31 98.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 111.039 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.439 ' HB2' ' HG3' ' A' ' 38' ' ' MET . . . -93.78 6.49 48.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.625 ' HB1' ' OE1' ' A' ' 74' ' ' GLN . . . -94.66 0.12 54.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 59.0 mt -73.13 155.22 90.33 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.325 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 56.28 4.22 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.548 1.815 . . . . 0.0 111.021 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 170.56 -34.71 0.17 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.563 1.164 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.411 ' O ' ' HA ' ' A' ' 122' ' ' ALA . 7.6 t -75.88 70.09 2.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 0.757 . . . . 0.0 110.027 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -166.76 -169.13 1.26 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.59 -179.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.601 1.188 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -140.27 173.05 5.39 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 115.51 4.3 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.55 1.816 . . . . 0.0 110.982 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 6.1 m -71.76 -23.88 61.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.422 1.076 . . . . 0.0 110.009 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.676 ' CD1' HD23 ' A' ' 155' ' ' LEU . 23.3 p-90 -73.69 -27.1 61.05 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.6 -13.66 54.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.345 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 24.4 m -120.96 29.39 7.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.428 1.08 . . . . 0.0 110.042 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 9.4 mt -123.01 120.87 61.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.352 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.913 HD23 ' HB3' ' A' ' 176' ' ' ASN . 0.8 OUTLIER -136.36 141.18 43.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.437 1.086 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.493 ' CG ' ' HA ' ' A' ' 144' ' ' TYR . 0.2 OUTLIER -81.86 114.58 20.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . 0.451 ' N ' ' OE1' ' A' ' 138' ' ' GLN . . . -71.12 154.04 51.61 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.488 1.117 . . . . 0.0 110.948 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -64.95 -27.53 68.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 0.73 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -113.44 40.67 2.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.298 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.14 156.27 76.99 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.272 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 110.32 3.09 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.489 1.784 . . . . 0.0 111.065 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . 0.757 ' O ' HG23 ' A' ' 148' ' ' VAL . 14.1 t80 -68.71 -43.97 74.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.455 1.097 . . . . 0.0 111.032 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . 0.444 ' C ' ' CD2' ' A' ' 145' ' ' HIS . 1.1 t-160 -52.12 -54.76 26.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 109.631 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -58.56 -37.49 75.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.263 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . 0.49 ' CD2' ' HG2' ' A' ' 138' ' ' GLN . 0.2 OUTLIER -62.12 -51.38 68.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 111.019 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 144' ' ' TYR . 33.2 t -49.04 -34.82 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.353 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . 0.711 ' O ' HD12 ' A' ' 153' ' ' ILE . 23.6 tt0 -67.36 -54.73 17.95 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -34.7 72.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.579 1.175 . . . . 0.0 110.335 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.528 HD11 ' HB3' ' A' ' 172' ' ' LEU . 1.0 OUTLIER -59.28 -38.93 81.39 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 109.303 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 33.2 t-20 -65.95 -54.22 29.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.711 HD12 ' O ' ' A' ' 149' ' ' GLU . 2.1 mp -52.53 -53.61 19.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -59.04 -23.18 61.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 0.676 HD23 ' CD1' ' A' ' 133' ' ' TRP . 20.2 mt -90.06 -3.74 57.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -102.22 -12.38 18.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -109.72 -12.15 14.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -123.86 -43.59 0.33 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.617 HD23 ' NE1' ' A' ' 133' ' ' TRP . 0.2 OUTLIER -79.48 114.52 46.08 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.554 0.796 . . . . 0.0 109.324 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . 0.547 ' HD2' HD13 ' A' ' 159' ' ' LEU . 18.3 Cg_endo -75.0 -178.54 4.24 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.469 1.773 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.48 -26.75 24.47 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -70.92 -13.5 72.42 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.579 1.174 . . . . 0.0 111.012 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' THR . . . . . 0.68 HG23 ' HD2' ' A' ' 164' ' ' PRO . 3.5 m -111.95 145.37 32.6 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.507 0.769 . . . . 0.0 110.384 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' PRO . . . . . 0.68 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.1 Cg_endo -75.07 110.95 3.21 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.439 1.757 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . 0.539 ' HB2' HD12 ' A' ' 159' ' ' LEU . 0.0 OUTLIER -98.9 -23.6 15.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . 0.509 ' CB ' ' HD3' ' A' ' 167' ' ' PRO . 0.3 OUTLIER -51.45 -52.95 54.97 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' PRO . . . . . 0.509 ' HD3' ' CB ' ' A' ' 166' ' ' ASP . 18.4 Cg_endo -74.98 -48.93 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.464 1.77 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -48.52 -39.62 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.567 1.167 . . . . 0.0 109.387 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . 0.656 HD13 HD12 ' A' ' 155' ' ' LEU . 13.4 tp -59.36 -61.96 2.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . 0.5 ' CZ ' ' O ' ' A' ' 191' ' ' THR . 32.2 ttp85 -53.44 -40.74 65.42 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.451 1.095 . . . . 0.0 110.307 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.04 -33.18 73.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.986 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.571 HD21 ' HE3' ' A' ' 133' ' ' TRP . 10.5 mt -78.53 -38.65 39.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . 0.452 ' HB1' ' HE1' ' A' ' 144' ' ' TYR . . . -78.72 0.05 28.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 174' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -111.66 -67.67 0.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 111.037 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 2.3 m -45.0 -65.08 0.58 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.944 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . 0.913 ' HB3' HD23 ' A' ' 137' ' ' LEU . 7.2 p30 -91.03 65.16 5.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.245 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . 0.452 ' HB2' ' O ' ' A' ' 173' ' ' ALA . . . -130.77 63.61 1.58 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.624 1.202 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . 0.422 ' O ' ' O ' ' A' ' 177' ' ' ALA . 0.0 OUTLIER 41.09 -162.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.084 . . . . 0.0 109.336 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 6.5 ttpt -111.13 -15.38 13.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 109.335 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . 0.429 ' HB3' ' NE1' ' A' ' 205' ' ' TRP . 0.0 OUTLIER -85.02 -43.97 13.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 181' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 184' ' ' LEU . 7.4 t -64.28 -59.94 3.78 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.508 1.13 . . . . 0.0 108.305 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.75 -45.07 7.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.278 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 8.3 ttpp -72.63 -32.36 65.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.654 HD23 ' O ' ' A' ' 184' ' ' LEU . 0.9 OUTLIER -60.4 -49.36 77.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . 0.529 HD11 ' CE ' ' A' ' 198' ' ' MET . 17.2 mt -56.91 -58.34 8.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . 0.468 ' CD ' HG21 ' A' ' 191' ' ' THR . 32.1 mm-40 -52.28 -42.57 63.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.141 . . . . 0.0 110.326 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -63.81 -25.72 68.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . 0.474 ' HG3' ' CD2' ' A' ' 184' ' ' LEU . 0.0 OUTLIER -86.0 -20.01 29.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 110.278 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 62.52 56.64 20.4 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.525 1.141 . . . . 0.0 111.007 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . 0.584 ' CG ' ' O ' ' A' ' 190' ' ' HIS . 1.2 p80 -157.92 39.35 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 0.726 . . . . 0.0 109.609 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . 0.5 ' O ' ' CZ ' ' A' ' 170' ' ' ARG . 0.9 OUTLIER -64.39 -46.53 82.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 110.434 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -82.29 57.86 3.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.389 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 193' ' ' SER . . . . . 0.545 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER -133.37 -179.0 0.95 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.618 1.199 . . . . 0.0 110.023 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . 0.545 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.4 Cg_endo -74.95 -179.73 5.26 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.467 1.772 . . . . 0.0 111.019 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . 0.565 HD21 ' CG1' ' A' ' 148' ' ' VAL . 6.6 tp -74.78 -52.41 11.53 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.495 1.122 . . . . 0.0 109.36 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -43.35 -44.55 6.36 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.445 1.091 . . . . 0.0 111.044 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . 0.447 ' HB3' ' CE1' ' A' ' 190' ' ' HIS . 0.2 OUTLIER -64.05 -37.45 87.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 0.783 . . . . 0.0 109.328 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 198' ' ' MET . . . . . 0.529 ' CE ' HD11 ' A' ' 185' ' ' LEU . 2.8 mmm -67.69 -38.48 83.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.422 1.076 . . . . 0.0 111.026 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 199' ' ' LEU . . . . . 0.639 HD21 HG11 ' A' ' 148' ' ' VAL . 2.4 mm? -70.25 -16.82 63.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -88.2 -23.33 23.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.613 1.196 . . . . 0.0 110.293 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -83.48 -39.8 20.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.349 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 202' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 204' ' ' THR . 0.1 OUTLIER -83.83 -16.43 44.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 108.344 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 203' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 202' ' ' CYS . 8.8 pt20 -38.41 -29.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 110.268 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 204' ' ' THR . . . . . 0.534 ' OG1' HG22 ' A' ' 206' ' ' THR . 1.5 t -116.55 -50.14 2.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.321 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 205' ' ' TRP . . . . . 0.551 ' O ' ' CD1' ' A' ' 205' ' ' TRP . 5.4 t90 39.46 58.89 1.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 108.024 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 206' ' ' THR . . . . . 0.534 HG22 ' OG1' ' A' ' 204' ' ' THR . 15.3 t -174.06 144.83 1.02 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.351 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 207' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 206' ' ' THR . 18.6 Cg_endo -74.92 133.89 17.27 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.486 1.782 . . . . 0.0 111.003 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 208' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.63 138.6 37.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -132.58 142.64 49.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.421 1.076 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 55.2 pttt -130.58 164.02 25.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.255 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 59.2 p -116.52 151.31 36.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.428 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -86.02 159.18 19.67 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 213' ' ' VAL . . . . . 0.408 HG12 ' O ' ' A' ' 213' ' ' VAL . 67.8 t -92.93 79.27 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 214' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.347 -179.938 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -150.17 158.24 43.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.58 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.2 m80 -67.49 121.03 14.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.594 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 57.5 m-70 -109.1 137.59 46.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 109.639 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 24.8 m170 -91.32 -62.19 1.49 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.532 1.145 . . . . 0.0 109.633 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.8 p -152.82 115.27 4.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.972 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.2 t -169.5 147.93 3.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.036 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -163.95 -172.57 31.58 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 15.8 p-80 -165.51 -63.52 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 0.745 . . . . 0.0 109.639 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 60.4 mt -105.53 106.22 20.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -142.88 135.0 27.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 110.335 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -73.82 -164.77 10.29 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -160.67 82.86 0.67 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.558 0.799 . . . . 0.0 110.271 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.562 ' CG ' ' O ' ' A' ' 14' ' ' HIS . 0.4 OUTLIER -166.92 77.19 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.585 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.57 ' HG3' ' CZ ' ' A' ' 48' ' ' PHE . 1.2 ttt 74.43 150.0 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.42 ' HG3' ' CG ' ' A' ' 18' ' ' LYS . 5.7 pt20 -136.24 -171.54 2.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.307 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -71.39 -61.26 1.83 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 111.04 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.42 ' CG ' ' HG3' ' A' ' 16' ' ' GLN . 4.7 pttt -45.99 -41.72 12.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.559 1.162 . . . . 0.0 109.283 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -53.57 -48.2 69.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 109.35 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.511 ' CD2' HD13 ' A' ' 58' ' ' LEU . 27.0 mt -64.18 -31.4 72.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.44 -50.13 60.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 110.27 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.65 -47.14 86.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.422 ' HA ' ' CG ' ' A' ' 26' ' ' GLU . 69.7 mt -52.69 -51.09 38.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.69 -33.23 21.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.32 -71.92 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.265 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.495 ' CD ' HG23 ' A' ' 40' ' ' THR . 4.8 pt-20 -45.33 -28.15 0.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.36 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.655 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 10.2 t -77.73 -47.65 25.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.7 p -46.22 -49.68 16.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.95 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -54.93 -33.39 62.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.436 1.085 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.655 ' HB3' ' O ' ' A' ' 27' ' ' VAL . . . -47.84 166.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.36 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.594 ' HB3' ' HB3' ' A' ' 34' ' ' SER . . . -108.14 164.51 14.61 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.496 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.0 Cg_endo -75.04 115.1 4.18 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.516 1.798 . . . . 0.0 110.988 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 70.19 34.25 69.6 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.488 1.118 . . . . 0.0 111.003 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.594 ' HB3' ' HB3' ' A' ' 31' ' ' ALA . 1.5 t -118.13 150.95 48.48 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.556 0.797 . . . . 0.0 110.033 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 50.27 2.47 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.512 1.796 . . . . 0.0 110.976 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -121.32 -46.94 2.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.158 . . . . 0.0 110.322 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.629 ' CE1' HD11 ' A' ' 41' ' ' ILE . 0.8 OUTLIER -65.98 -66.83 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 111.044 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.505 ' CE ' HD22 ' A' ' 118' ' ' LEU . 6.2 tpt -47.69 -41.23 22.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.579 1.174 . . . . 0.0 111.017 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -55.46 -42.96 75.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.272 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.653 HG21 HG23 ' A' ' 27' ' ' VAL . 0.9 OUTLIER -64.69 -23.42 67.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.335 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.629 HD11 ' CE1' ' A' ' 37' ' ' PHE . 19.7 mm -72.9 -52.72 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.637 ' HD2' HD13 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -55.92 -34.24 65.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.343 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.82 -51.16 68.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.367 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.497 ' HB1' ' CZ ' ' A' ' 48' ' ' PHE . . . -65.58 -33.72 76.58 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.38 1.05 . . . . 0.0 109.189 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.723 HG11 HD11 ' A' ' 118' ' ' LEU . 2.1 t -69.08 -30.21 45.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.75 -2.15 56.22 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -87.45 -68.53 0.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.575 1.172 . . . . 0.0 110.292 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.57 ' CZ ' ' HG3' ' A' ' 15' ' ' MET . 1.5 p90 -114.34 -27.56 7.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.965 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 48' ' ' PHE . 1.7 m-20 76.13 93.24 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 126.39 9.95 Favored 'Trans proline' 0 C--N 1.359 1.087 0 O-C-N 124.534 1.807 . . . . 0.0 110.971 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.532 ' HG1' ' CE1' ' A' ' 14' ' ' HIS . 8.6 p -61.44 -167.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 110.385 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.51 -38.6 81.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 109.367 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' A' ' 56' ' ' GLN . 4.9 mttp -63.1 -65.16 0.73 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.413 1.07 . . . . 0.0 109.234 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -45.89 -42.41 12.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 109.275 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 1.034 HD13 ' CG ' ' A' ' 117' ' ' TRP . 12.8 mt -60.55 -41.96 95.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.565 1.165 . . . . 0.0 109.336 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -53.04 -54.07 40.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.25 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 60' ' ' GLN . 17.9 t0 -65.79 -55.72 15.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.524 HD22 ' HE1' ' A' ' 15' ' ' MET . 31.9 tp -43.11 -36.53 1.69 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.426 1.078 . . . . 0.0 109.302 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 33.3 tp -65.02 -47.99 75.5 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.61 1.193 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -87.79 18.26 4.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -111.65 -31.04 7.12 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.543 1.152 . . . . 0.0 111.061 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 63.8 mt -102.09 -62.37 1.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.45 ' SG ' HG12 ' A' ' 67' ' ' VAL . 13.6 p -86.12 171.75 11.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 108.3 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.0 m -90.95 176.14 6.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.971 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.1 m -53.81 -44.04 69.86 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.579 1.174 . . . . 0.0 110.048 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.406 ' C ' HD12 ' A' ' 66' ' ' LEU . 2.5 tp -45.25 -71.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.45 HG12 ' SG ' ' A' ' 63' ' ' CYS . 3.5 t -50.51 -50.77 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.516 ' O ' ' CG ' ' A' ' 72' ' ' HIS . . . -43.77 -35.76 2.01 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.553 1.158 . . . . 0.0 109.264 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.6 m -78.65 -47.67 16.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 109.996 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.443 ' O ' ' NE2' ' A' ' 74' ' ' GLN . 94.6 mt -51.24 -45.54 62.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.508 ' CD2' ' C ' ' A' ' 71' ' ' HIS . 0.2 OUTLIER -67.34 -37.77 83.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 109.603 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.516 ' CG ' ' O ' ' A' ' 68' ' ' ALA . 52.7 m170 -56.67 -21.06 24.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.642 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -87.79 -71.99 0.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.326 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.443 ' NE2' ' O ' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -46.88 -32.55 3.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.319 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.846 HD13 HD12 ' A' ' 79' ' ' ILE . 2.1 tm? -76.25 -42.0 47.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -59.28 -53.01 63.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.9 t -52.8 -52.38 57.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.052 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.593 HD23 ' HG ' ' A' ' 116' ' ' LEU . 19.1 tp -51.06 -52.31 44.55 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.572 1.17 . . . . 0.0 109.246 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.846 HD12 HD13 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -52.52 -43.79 43.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.56 -36.47 45.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.018 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -67.76 -35.41 78.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.287 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.743 ' HB1' HG12 ' A' ' 87' ' ' ILE . . . -66.15 -59.82 3.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.147 . . . . 0.0 109.328 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -51.03 -39.53 56.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.249 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.8 m -57.4 -47.01 82.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.423 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.13 -1.67 27.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 110.345 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.47 -6.84 63.16 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.451 1.094 . . . . 0.0 111.023 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.743 HG12 ' HB1' ' A' ' 82' ' ' ALA . 37.7 mt 56.35 167.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.777 . . . . 0.0 109.367 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.505 ' N ' HG22 ' A' ' 87' ' ' ILE . 62.7 p -44.63 -76.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.592 1.183 . . . . 0.0 110.384 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.413 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -138.17 53.6 0.71 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.461 1.101 . . . . 0.0 111.04 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.506 ' CD1' ' OE1' ' A' ' 100' ' ' GLN . 77.0 t80 -81.19 144.89 31.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 0.736 . . . . 0.0 110.959 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.513 ' ND2' HD12 ' A' ' 93' ' ' LEU . 0.6 OUTLIER -111.31 102.16 52.33 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.334 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -22.85 14.49 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.438 1.757 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.892 HD13 ' N ' ' A' ' 94' ' ' ALA . 0.0 OUTLIER -57.73 -34.92 70.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.892 ' N ' HD13 ' A' ' 93' ' ' LEU . . . -62.58 -64.72 0.84 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.523 ' N ' ' CD ' ' A' ' 96' ' ' PRO . . . 125.64 -48.94 0.94 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.566 1.166 . . . . 0.0 110.981 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 95' ' ' GLY . 18.6 Cg_endo -74.95 160.1 40.73 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.497 1.788 . . . . 0.0 111.029 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.712 HD21 HG12 ' A' ' 79' ' ' ILE . 14.6 tp -120.15 -52.43 2.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.34 -25.16 48.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.247 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.473 ' CG2' ' HB2' ' A' ' 96' ' ' PRO . 89.1 t -66.14 -45.01 91.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.506 ' OE1' ' CD1' ' A' ' 90' ' ' TYR . 77.2 mt-30 -71.37 -23.7 61.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 0.0 110.335 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.544 ' HB2' ' CD2' ' A' ' 113' ' ' TYR . . . -76.94 -25.88 53.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -113.14 33.17 5.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.145 . . . . 0.0 109.28 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -98.75 132.3 24.11 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 49.16 2.2 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.539 1.81 . . . . 0.0 110.952 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -165.83 -41.55 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.272 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -79.65 54.75 1.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.02 -24.98 63.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 110.32 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.25 -56.46 20.09 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.515 1.134 . . . . 0.0 111.023 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.659 HD11 HG21 ' A' ' 87' ' ' ILE . 0.2 OUTLIER -74.32 -30.25 61.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.586 0.815 . . . . 0.0 109.343 179.945 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.44 -55.15 37.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.272 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.49 -45.54 90.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -53.35 -51.03 63.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.544 ' CD2' ' HB2' ' A' ' 101' ' ' ALA . 4.7 t80 -53.83 -39.9 65.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 110.953 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.573 ' NE2' HD11 ' A' ' 55' ' ' LEU . 29.7 tp60 -55.14 -50.87 68.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.21 -57.9 4.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 110.335 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.725 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 0.0 OUTLIER -41.57 -42.91 2.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 1.034 ' CG ' HD13 ' A' ' 55' ' ' LEU . 88.2 t90 -60.07 -54.97 39.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 108.01 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.723 HD11 HG11 ' A' ' 45' ' ' VAL . 50.4 mt -53.11 -28.32 24.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.436 1.085 . . . . 0.0 109.348 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.725 ' HB3' ' O ' ' A' ' 116' ' ' LEU . . . -59.79 -63.26 1.37 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.465 ' CB ' ' HB2' ' A' ' 75' ' ' LEU . . . -54.91 -38.5 67.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.93 -30.64 71.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 111.021 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -99.12 6.47 46.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -101.83 1.37 37.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 81.4 mt -74.18 154.86 88.38 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 55.85 4.09 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.55 1.816 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 148.9 45.76 0.03 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.534 1.146 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 22.7 t -145.57 52.53 1.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 0.774 . . . . 0.0 109.986 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -168.35 -71.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.4 177.22 5.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.593 1.183 . . . . 0.0 109.287 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.55 143.21 35.7 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.439 1.087 . . . . 0.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.64 ' HG2' ' HB2' ' A' ' 134' ' ' ALA . 18.3 Cg_endo -75.01 136.26 20.13 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.446 1.761 . . . . 0.0 110.95 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.94 -23.12 52.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.987 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.706 ' CD1' HD23 ' A' ' 155' ' ' LEU . 12.6 p-90 -75.76 -13.29 60.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 0.0 107.937 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.64 ' HB2' ' HG2' ' A' ' 131' ' ' PRO . . . -68.24 -10.45 54.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.07 31.83 4.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 110.003 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.575 HD12 ' HA ' ' A' ' 133' ' ' TRP . 32.7 mt -123.12 120.91 61.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.496 ' N ' HD12 ' A' ' 137' ' ' LEU . 0.0 OUTLIER -146.52 149.8 34.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.461 ' NE2' ' O ' ' A' ' 139' ' ' GLY . 2.8 tp60 -67.28 114.31 5.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.261 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . 0.461 ' O ' ' NE2' ' A' ' 138' ' ' GLN . . . -76.7 158.14 48.29 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.432 1.082 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -62.68 -35.17 78.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.765 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -114.94 40.75 2.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.261 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -132.35 155.77 80.89 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . 0.464 ' HB2' ' HB3' ' A' ' 146' ' ' ALA . 18.5 Cg_endo -74.91 109.88 3.01 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.453 1.765 . . . . 0.0 111.037 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . 0.743 ' O ' HG23 ' A' ' 148' ' ' VAL . 2.6 t80 -66.55 -45.17 80.25 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.546 1.154 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . 0.499 ' C ' ' CD2' ' A' ' 145' ' ' HIS . 0.2 OUTLIER -58.64 -58.12 9.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.565 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.464 ' HB3' ' HB2' ' A' ' 143' ' ' PRO . . . -52.57 -36.89 56.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . 0.472 ' CE1' HG23 ' A' ' 136' ' ' ILE . 0.1 OUTLIER -60.6 -56.69 18.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.743 HG23 ' O ' ' A' ' 144' ' ' TYR . 21.5 t -44.81 -39.8 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -58.27 -59.83 4.71 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.58 1.175 . . . . 0.0 110.261 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -57.01 -44.06 82.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.089 . . . . 0.0 110.297 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.475 ' HB3' ' CD1' ' A' ' 169' ' ' LEU . 1.8 mt -46.87 -43.51 18.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -65.36 -34.02 77.34 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.448 ' N ' ' O ' ' A' ' 150' ' ' ARG . 17.1 mt -69.02 -61.86 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -54.78 -20.41 8.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.245 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 0.706 HD23 ' CD1' ' A' ' 133' ' ' TRP . 21.1 mt -90.18 -23.26 21.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 153' ' ' ILE . 30.7 t70 -88.01 -8.06 56.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 29.7 m-20 -115.12 -7.64 12.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.437 1.086 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -128.14 -43.32 0.23 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.526 1.141 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.614 HD13 ' HD2' ' A' ' 160' ' ' PRO . 0.2 OUTLIER -79.93 115.18 52.27 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.453 0.737 . . . . 0.0 109.262 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . 0.614 ' HD2' HD13 ' A' ' 159' ' ' LEU . 18.2 Cg_endo -75.07 -171.11 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.535 1.808 . . . . 0.0 111.006 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -89.34 -43.27 11.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 110.266 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -51.59 -28.8 23.06 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.506 1.129 . . . . 0.0 111.023 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' THR . . . . . 0.655 HG23 ' HD2' ' A' ' 164' ' ' PRO . 1.5 m -100.96 144.01 27.72 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.449 0.735 . . . . 0.0 110.396 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' PRO . . . . . 0.655 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.4 Cg_endo -74.98 116.62 4.64 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.499 1.789 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . 0.557 ' HB2' HD12 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -102.56 -18.62 15.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 109.346 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . 0.554 ' N ' ' CD ' ' A' ' 167' ' ' PRO . 0.0 OUTLIER -57.39 -49.78 91.9 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.318 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' PRO . . . . . 0.554 ' CD ' ' N ' ' A' ' 166' ' ' ASP . 18.1 Cg_endo -75.08 -45.65 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.41 1.742 . . . . 0.0 110.949 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . 0.465 HD13 HD21 ' A' ' 159' ' ' LEU . 0.3 OUTLIER -53.65 -46.84 61.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . 0.673 HD13 HD12 ' A' ' 155' ' ' LEU . 53.9 tp -54.52 -56.77 15.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.578 1.174 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . 0.502 ' HG3' HD13 ' A' ' 195' ' ' LEU . 10.5 mtt180 -58.97 -15.94 15.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 110.281 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 175' ' ' SER . 0.2 OUTLIER -83.8 -38.94 20.62 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.557 1.161 . . . . 0.0 110.008 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.541 ' CD1' HD11 ' A' ' 155' ' ' LEU . 0.9 OUTLIER -81.99 -17.88 45.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.437 1.086 . . . . 0.0 109.278 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -83.99 -30.61 26.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 174' ' ' TYR . . . . . 0.443 ' HB2' ' HE1' ' A' ' 198' ' ' MET . 13.6 t80 -117.02 -69.91 0.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.942 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 171' ' ' SER . 0.2 OUTLIER -41.57 -30.28 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.949 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . 0.424 ' HB3' HD23 ' A' ' 137' ' ' LEU . 2.1 m120 -118.46 61.63 0.78 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . 0.413 ' O ' ' O ' ' A' ' 178' ' ' ASN . . . -139.73 158.36 44.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . 0.413 ' O ' ' O ' ' A' ' 177' ' ' ALA . 44.2 p-10 -57.52 -160.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.258 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.21 -45.29 7.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.575 1.172 . . . . 0.0 109.3 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.26 -42.56 41.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 181' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 184' ' ' LEU . 71.7 m -76.23 -66.35 0.81 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.495 1.122 . . . . 0.0 108.268 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . 0.452 ' O ' ' NE2' ' A' ' 186' ' ' GLN . 3.5 mt-30 -40.58 -37.18 0.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.235 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 11.0 ttpp -72.24 -47.16 52.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.696 ' C ' HD23 ' A' ' 184' ' ' LEU . 2.9 tt -57.91 -49.95 74.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . 0.681 HD21 ' SD ' ' A' ' 198' ' ' MET . 3.6 mt -48.92 -55.73 10.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.255 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' A' ' 189' ' ' GLY . 0.4 OUTLIER -59.46 -58.66 7.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.447 1.092 . . . . 0.0 110.302 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -46.75 -31.72 3.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.75 -37.67 76.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.403 1.065 . . . . 0.0 110.275 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 189' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 186' ' ' GLN . . . 75.94 62.13 2.71 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.513 1.133 . . . . 0.0 111.074 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . 0.554 ' NE2' HD23 ' A' ' 185' ' ' LEU . 1.4 p80 -156.32 23.83 0.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 0.739 . . . . 0.0 109.571 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -50.14 -47.24 54.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.364 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -86.85 62.3 7.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 193' ' ' SER . . . . . 0.402 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 1.0 OUTLIER -144.68 173.24 4.53 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.01 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . 0.402 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.1 Cg_endo -75.04 174.03 13.5 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.495 1.787 . . . . 0.0 110.927 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . 0.718 HD21 ' CG1' ' A' ' 148' ' ' VAL . 6.3 tp -65.24 -39.41 92.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -42.26 -35.28 1.77 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.452 1.095 . . . . 0.0 110.983 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . 0.489 ' HB3' ' CE1' ' A' ' 190' ' ' HIS . 10.6 t0 -84.58 -36.88 21.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.764 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 198' ' ' MET . . . . . 0.681 ' SD ' HD21 ' A' ' 185' ' ' LEU . 65.1 mmm -54.45 -37.15 64.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 111.029 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 199' ' ' LEU . . . . . 0.681 HD21 HG11 ' A' ' 148' ' ' VAL . 3.6 mm? -83.2 -35.76 25.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.615 1.197 . . . . 0.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.47 -5.16 30.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -103.79 -36.65 7.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 202' ' ' CYS . . . . . 0.585 ' SG ' ' CE1' ' A' ' 144' ' ' TYR . 11.1 m -84.83 -13.27 51.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 108.331 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -58.52 -30.14 66.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.336 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.6 -4.0 51.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.376 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 205' ' ' TRP . . . . . 0.477 ' HB2' ' CD1' ' A' ' 184' ' ' LEU . 27.1 t90 -70.77 61.21 0.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 108.008 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 206' ' ' THR . . . . . . . . . . . . . 10.3 p -134.23 161.57 62.9 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.423 1.077 . . . . 0.0 110.434 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -55.53 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.522 1.801 . . . . 0.0 111.002 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 208' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 73.32 -69.88 0.18 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 68.25 96.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.99 178.95 8.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.398 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 13.3 t -153.05 144.68 23.45 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.438 1.086 . . . . 0.0 110.404 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 4.8 tptp -50.48 142.59 10.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 109.273 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 213' ' ' VAL . . . . . . . . . . . . . 8.8 p -143.92 137.61 24.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.609 1.193 . . . . 0.0 109.272 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 214' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -178.45 171.9 1.53 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.576 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -166.47 175.39 8.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.635 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -147.66 176.2 10.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.397 1.06 . . . . 0.0 109.626 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -144.35 175.72 9.89 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.432 1.082 . . . . 0.0 109.572 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.1 171.51 6.9 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.469 1.105 . . . . 0.0 109.927 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.0 t -167.02 168.88 13.42 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.43 1.081 . . . . 0.0 109.972 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -139.82 -156.54 6.96 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -165.1 175.58 9.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 0.752 . . . . 0.0 109.541 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -165.17 152.48 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -161.48 170.34 20.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 110.309 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 131.1 156.66 8.59 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.446 1.092 . . . . 0.0 111.017 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -156.53 120.85 4.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.408 0.71 . . . . 0.0 110.355 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -179.93 84.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.57 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.704 ' HE1' HD21 ' A' ' 20' ' ' LEU . 2.2 ttt 39.07 89.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 111.043 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 -79.91 156.68 27.17 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.463 1.102 . . . . 0.0 110.298 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.47 -37.19 3.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.172 . . . . 0.0 110.922 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.2 ttpt -54.83 -47.49 74.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -56.79 -58.74 6.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.783 ' HA ' HD12 ' A' ' 23' ' ' ILE . 6.0 mt -53.11 -39.27 63.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -58.82 6.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.79 -38.33 64.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.147 . . . . 0.0 109.264 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.783 HD12 ' HA ' ' A' ' 20' ' ' LEU . 37.5 mt -57.34 -53.36 44.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.149 . . . . 0.0 109.338 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -48.56 -32.38 7.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.346 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.64 -70.95 0.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.572 ' CD ' HG23 ' A' ' 40' ' ' THR . 12.7 pt-20 -46.58 -27.33 1.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 110.319 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.544 HG13 ' CD1' ' A' ' 37' ' ' PHE . 23.9 t -79.07 -51.96 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.257 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.5 p -46.93 -27.23 1.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 109.959 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -72.21 -46.83 54.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.268 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.746 ' HB1' ' HB3' ' A' ' 36' ' ' GLN . . . -44.84 167.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.444 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -98.93 163.03 19.57 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.444 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.5 Cg_endo -74.93 126.17 9.84 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.564 1.823 . . . . 0.0 111.02 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.32 43.59 97.2 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.434 1.084 . . . . 0.0 111.042 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.6 m -129.1 156.65 77.86 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.455 0.738 . . . . 0.0 110.036 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 49.32 2.23 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.49 1.784 . . . . 0.0 110.96 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.746 ' HB3' ' HB1' ' A' ' 30' ' ' ALA . 9.7 tp60 -121.68 -52.94 2.0 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.535 1.147 . . . . 0.0 110.271 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.826 ' CE1' HD11 ' A' ' 41' ' ' ILE . 3.5 t80 -60.05 -59.13 5.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 0.0 110.989 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.405 ' SD ' ' HB2' ' A' ' 122' ' ' ALA . 4.1 tpt -48.33 -40.61 25.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -58.19 -41.66 84.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.572 HG23 ' CD ' ' A' ' 26' ' ' GLU . 29.1 m -63.46 -24.49 67.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.356 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.826 HD11 ' CE1' ' A' ' 37' ' ' PHE . 16.6 mm -71.5 -39.38 70.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.565 ' HA ' HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -70.47 -33.34 71.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 0.0 110.354 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.435 ' O ' ' CG ' ' A' ' 47' ' ' GLN . 54.7 tp -65.14 -32.44 74.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.439 ' HB1' ' CZ ' ' A' ' 48' ' ' PHE . . . -85.5 -44.15 12.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.054 HG11 HD11 ' A' ' 118' ' ' LEU . 0.3 OUTLIER -68.84 -8.5 10.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.3 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.409 ' CB ' ' O ' ' A' ' 42' ' ' ARG . 1.2 tt0 -110.62 -27.79 8.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 110.352 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.435 ' CG ' ' O ' ' A' ' 43' ' ' LEU . 26.8 mt-30 -66.64 -65.44 0.68 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 110.319 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.562 ' CE1' ' HG3' ' A' ' 15' ' ' MET . 17.5 p90 -113.82 -30.45 6.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.168 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 74.32 96.1 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.456 ' HD2' HG23 ' A' ' 45' ' ' VAL . 18.2 Cg_endo -74.98 148.67 35.69 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.49 1.784 . . . . 0.0 110.991 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.3 p -82.71 -176.27 6.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.365 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.68 -50.7 62.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -56.5 -57.47 12.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.438 ' CB ' ' HB2' ' A' ' 50' ' ' PRO . 90.4 m-20 -50.46 -37.1 36.52 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.557 1.161 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.965 HD13 ' CG ' ' A' ' 117' ' ' TRP . 13.0 mt -67.31 -45.93 75.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.221 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -56.46 -52.7 63.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.349 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -64.26 -41.26 97.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 19.3 tp -62.46 -24.27 67.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.351 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.493 HD23 ' CE1' ' A' ' 72' ' ' HIS . 32.2 tp -71.43 -43.53 66.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -79.9 -21.25 44.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.584 1.178 . . . . 0.0 110.28 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -66.18 -57.84 6.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 111.033 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.637 HD13 ' HE1' ' A' ' 37' ' ' PHE . 23.1 mt -98.89 -67.37 0.85 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.347 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.476 ' SG ' ' CG1' ' A' ' 67' ' ' VAL . 0.8 OUTLIER -49.65 148.27 3.06 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.461 1.1 . . . . 0.0 108.289 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.4 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.5 OUTLIER -86.28 156.98 20.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.013 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.773 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 0.5 OUTLIER -39.71 -75.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.047 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.1 tp -44.52 -64.41 0.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.328 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.49 HG13 HD13 ' A' ' 124' ' ' LEU . 1.2 t -41.23 -32.87 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.773 ' HB3' ' O ' ' A' ' 65' ' ' SER . . . -68.03 -64.11 0.93 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 59.6 p -42.87 -37.1 1.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.995 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.452 ' O ' ' NE2' ' A' ' 74' ' ' GLN . 14.0 mt -62.55 -47.52 83.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.345 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.648 ' CE1' ' HB3' ' A' ' 120' ' ' ALA . 3.4 t60 -63.65 -36.69 84.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.601 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.493 ' CE1' HD23 ' A' ' 59' ' ' LEU . 38.7 m80 -52.72 -49.44 65.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.589 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.46 -37.89 87.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.452 ' NE2' ' O ' ' A' ' 70' ' ' LEU . 5.6 mt-30 -58.02 -51.47 69.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.366 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.581 HD22 HD21 ' A' ' 116' ' ' LEU . 3.0 mt -66.31 -36.56 83.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -60.57 -37.13 80.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 42.2 t -81.03 -40.65 23.91 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.423 1.077 . . . . 0.0 110.025 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.702 HD23 ' CG ' ' A' ' 116' ' ' LEU . 5.2 tp -59.35 -61.86 2.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.224 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 2.5 mt -56.07 -43.81 76.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.3 m -48.75 -31.79 7.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.955 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -76.97 -34.16 57.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 110.265 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.831 ' HB1' HG12 ' A' ' 87' ' ' ILE . . . -66.55 -60.28 2.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.31 -28.65 55.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.288 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.9 m -76.01 -47.76 23.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 110.46 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -77.12 -1.31 28.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.113 . . . . 0.0 110.296 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 76.42 96.05 0.17 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.524 1.14 . . . . 0.0 110.972 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.926 HG21 HD11 ' A' ' 109' ' ' LEU . 32.4 mt -64.63 155.01 6.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.753 . . . . 0.0 109.307 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.633 HG23 ' H ' ' A' ' 89' ' ' GLY . 0.1 OUTLIER -35.3 -83.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.534 1.146 . . . . 0.0 110.424 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.633 ' H ' HG23 ' A' ' 88' ' ' THR . . . -129.47 58.81 0.7 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.436 1.085 . . . . 0.0 111.014 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.415 ' CB ' ' HB ' ' A' ' 87' ' ' ILE . 12.3 t80 -81.34 152.48 27.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 0.761 . . . . 0.0 111.074 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.568 ' ND2' HD11 ' A' ' 93' ' ' LEU . 1.1 t-20 -108.35 127.26 27.84 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.432 1.083 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -28.73 8.97 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.465 1.771 . . . . 0.0 110.996 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.871 ' O ' HD22 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -72.68 -12.11 60.9 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.14 . . . . 0.0 109.334 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.764 ' HB3' ' NE2' ' A' ' 100' ' ' GLN . . . -94.87 52.46 1.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 94' ' ' ALA . . . -30.5 -55.62 0.24 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.426 ' CD ' ' N ' ' A' ' 95' ' ' GLY . 18.3 Cg_endo -74.98 81.81 2.13 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.536 1.809 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.868 HD11 HD22 ' A' ' 109' ' ' LEU . 0.3 OUTLIER -47.45 -37.96 12.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.539 1.149 . . . . 0.0 109.321 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.458 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 25.8 ptt180 -48.55 -37.84 18.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.272 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.432 ' N ' ' HG3' ' A' ' 98' ' ' ARG . 37.2 t -64.45 -34.95 72.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.35 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.764 ' NE2' ' HB3' ' A' ' 94' ' ' ALA . 44.4 mt-30 -72.4 -42.67 64.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.421 1.076 . . . . 0.0 110.273 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.1 -24.51 66.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.272 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 98' ' ' ARG . 28.0 p30 -118.69 32.78 5.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.401 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 5.9 m-20 -102.49 137.61 19.43 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 48.86 2.09 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.483 1.781 . . . . 0.0 111.032 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.435 ' CG ' ' N ' ' A' ' 106' ' ' GLN . 8.4 pt20 -156.76 -43.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.266 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.435 ' N ' ' CG ' ' A' ' 105' ' ' GLN . 13.2 mm100 -79.63 116.43 19.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 0.0 110.266 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -114.69 -33.38 5.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -67.9 -55.74 13.04 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.554 1.159 . . . . 0.0 111.013 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.926 HD11 HG21 ' A' ' 87' ' ' ILE . 0.2 OUTLIER -66.74 -36.09 81.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 0.756 . . . . 0.0 109.289 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.51 -48.65 62.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.301 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -70.04 -59.77 2.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.365 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 113' ' ' TYR . 0.1 OUTLIER -44.66 -33.28 1.77 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.211 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.773 ' HE1' HD12 ' A' ' 55' ' ' LEU . 29.8 t80 -68.47 -47.72 66.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.942 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -50.45 -50.08 53.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.53 -50.9 56.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.399 1.062 . . . . 0.0 110.323 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.768 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 0.0 OUTLIER -48.36 -39.59 22.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.965 ' CG ' HD13 ' A' ' 55' ' ' LEU . 34.8 t90 -60.04 -61.82 2.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.533 1.146 . . . . 0.0 108.025 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 1.054 HD11 HG11 ' A' ' 45' ' ' VAL . 98.5 mt -44.68 -28.58 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.261 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.768 ' HB3' ' O ' ' A' ' 116' ' ' LEU . . . -62.3 -62.91 1.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.648 ' HB3' ' CE1' ' A' ' 71' ' ' HIS . . . -56.27 -35.43 67.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.586 1.179 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -67.33 -32.04 72.73 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.528 1.142 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.405 ' HB2' ' SD ' ' A' ' 38' ' ' MET . . . -97.31 7.04 47.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.429 ' HB3' ' OE1' ' A' ' 74' ' ' GLN . . . -101.12 1.62 39.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.371 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.49 HD13 HG13 ' A' ' 67' ' ' VAL . 91.3 mt -76.17 150.84 83.38 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -7.04 18.77 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.463 1.77 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -107.75 -41.1 1.63 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.613 ' O ' ' HB2' ' A' ' 128' ' ' ALA . 0.9 OUTLIER -72.07 64.7 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 0.0 110.043 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.613 ' HB2' ' O ' ' A' ' 127' ' ' SER . . . 169.21 173.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.79 158.68 10.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.136 . . . . 0.0 109.355 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -172.61 100.6 0.35 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 116.15 4.5 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.47 1.774 . . . . 0.0 111.018 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 9.5 m -74.86 -24.24 58.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.11 . . . . 0.0 109.96 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.676 ' HE3' HD21 ' A' ' 172' ' ' LEU . 28.4 p-90 -74.43 -21.25 59.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 108.017 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -70.51 -7.65 45.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.34 26.37 6.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.171 . . . . 0.0 109.963 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.484 HG22 ' HE1' ' A' ' 147' ' ' PHE . 30.1 mt -125.02 125.01 68.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.477 ' N ' HD12 ' A' ' 137' ' ' LEU . 0.0 OUTLIER -145.52 154.28 42.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.468 ' NE2' ' O ' ' A' ' 139' ' ' GLY . 0.1 OUTLIER -73.12 120.24 18.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.301 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . 0.474 ' CA ' ' HB2' ' A' ' 142' ' ' GLU . . . -80.18 149.56 31.02 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.426 HD22 ' HA ' ' A' ' 140' ' ' LEU . 0.9 OUTLIER -51.5 -47.28 63.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 109.294 179.913 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -110.37 40.37 1.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.474 ' HB2' ' CA ' ' A' ' 139' ' ' GLY . 5.5 mt-10 -114.35 168.66 7.63 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.333 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . 0.905 ' HB2' ' HB3' ' A' ' 146' ' ' ALA . 18.2 Cg_endo -75.08 115.37 4.25 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.502 1.791 . . . . 0.0 110.96 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . 0.891 ' O ' HG23 ' A' ' 148' ' ' VAL . 1.9 t80 -69.27 -55.57 10.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . 0.434 ' C ' ' CD2' ' A' ' 145' ' ' HIS . 0.8 OUTLIER -59.16 -58.09 10.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.59 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.905 ' HB3' ' HB2' ' A' ' 143' ' ' PRO . . . -50.61 -50.83 53.07 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . 0.496 ' CB ' ' O ' ' A' ' 143' ' ' PRO . 7.1 t80 -47.65 -42.18 23.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.891 HG23 ' O ' ' A' ' 144' ' ' TYR . 18.2 t -65.88 -47.62 84.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . 0.409 ' O ' HD12 ' A' ' 153' ' ' ILE . 0.4 OUTLIER -53.14 -54.85 29.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -58.62 -49.22 78.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.608 1.192 . . . . 0.0 110.282 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.808 ' O ' HD12 ' A' ' 155' ' ' LEU . 0.6 OUTLIER -43.54 -38.92 3.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -66.36 -48.35 70.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.167 . . . . 0.0 109.366 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.409 HD12 ' O ' ' A' ' 149' ' ' GLU . 1.3 mp -62.24 -67.62 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -41.3 -34.8 0.54 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 0.808 HD12 ' O ' ' A' ' 151' ' ' LEU . 2.3 mt -66.69 -64.31 0.88 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -46.71 -23.3 0.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . 0.427 ' N ' ' C ' ' A' ' 155' ' ' LEU . 0.8 OUTLIER -72.77 -31.8 65.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.25 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . 0.568 ' N ' ' O ' ' A' ' 155' ' ' LEU . . . -140.7 56.55 0.6 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.672 HD23 HD23 ' A' ' 155' ' ' LEU . 0.2 OUTLIER -145.93 107.32 4.27 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 109.33 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 159.31 41.4 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.444 1.76 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -66.83 -42.99 84.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.297 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -46.64 -28.98 3.87 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' THR . . . . . 0.521 HG23 ' HD2' ' A' ' 164' ' ' PRO . 1.3 m -110.5 141.27 23.63 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.552 0.795 . . . . 0.0 110.424 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' PRO . . . . . 0.521 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.3 Cg_endo -75.1 142.09 27.13 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . 0.495 ' HB2' HD12 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -111.7 -28.46 8.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 109.236 -179.904 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . 0.554 ' N ' ' CD ' ' A' ' 167' ' ' PRO . 0.0 OUTLIER -49.36 -49.82 68.57 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.377 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' PRO . . . . . 0.554 ' CD ' ' N ' ' A' ' 166' ' ' ASP . 18.4 Cg_endo -75.03 -44.76 0.31 Allowed 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.498 1.788 . . . . 0.0 111.01 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . 0.44 ' CG2' ' CD2' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -54.22 -44.96 66.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' A' ' 151' ' ' LEU . 36.2 tp -53.94 -57.06 12.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . 0.419 ' CZ ' ' HA ' ' A' ' 192' ' ' ASN . 3.7 ttp180 -57.14 -45.15 83.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.414 1.071 . . . . 0.0 110.327 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . 0.47 ' O ' ' CB ' ' A' ' 175' ' ' SER . 0.1 OUTLIER -62.3 -20.96 64.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.028 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.676 HD21 ' HE3' ' A' ' 133' ' ' TRP . 17.1 mt -86.99 -39.15 15.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.583 1.177 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -71.02 -7.72 48.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 174' ' ' TYR . . . . . 0.449 ' OH ' ' NE2' ' A' ' 186' ' ' GLN . 20.7 t80 -116.0 -63.12 1.5 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.426 1.079 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . 0.47 ' CB ' ' O ' ' A' ' 171' ' ' SER . 19.8 m -50.0 -44.49 51.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.025 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . 0.466 ' HB3' ' CB ' ' A' ' 137' ' ' LEU . 4.7 m-80 -105.13 65.23 0.73 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 178' ' ' ASN . . . -138.77 141.61 38.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . 0.473 ' ND2' ' H ' ' A' ' 181' ' ' CYS . 15.6 p-10 -53.32 -173.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -78.95 -55.59 5.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.0 -36.45 3.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 181' ' ' CYS . . . . . 0.473 ' H ' ' ND2' ' A' ' 178' ' ' ASN . 11.1 t -71.8 -71.7 0.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 108.352 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -40.64 -38.11 0.83 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 0.0 110.255 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.65 -46.11 55.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.579 1.175 . . . . 0.0 109.339 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.696 ' C ' HD23 ' A' ' 184' ' ' LEU . 3.0 tt -55.82 -53.0 62.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . 0.924 HD11 ' SD ' ' A' ' 198' ' ' MET . 10.7 mt -49.31 -50.17 40.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.252 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . 0.449 ' NE2' ' OH ' ' A' ' 174' ' ' TYR . 0.5 OUTLIER -59.51 -60.75 3.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.337 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -49.71 -45.93 49.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . 0.512 ' HD2' ' HB1' ' A' ' 201' ' ' ALA . 1.2 tpm_? -49.44 -48.23 47.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 110.36 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 109.14 44.44 1.09 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.554 1.159 . . . . 0.0 111.051 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . 0.54 ' CD2' ' HB3' ' A' ' 197' ' ' ASP . 0.0 OUTLIER -174.18 117.09 0.22 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.409 0.711 . . . . 0.0 109.604 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 2.0 p -120.45 -54.66 2.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 110.364 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 192' ' ' ASN . . . . . 0.419 ' HA ' ' CZ ' ' A' ' 170' ' ' ARG . 8.7 m120 -92.39 43.88 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 193' ' ' SER . . . . . 0.47 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.2 OUTLIER -104.38 176.83 1.59 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.026 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . 0.47 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.5 Cg_endo -74.98 144.83 30.81 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.555 1.818 . . . . 0.0 111.049 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . 0.718 HD21 ' CG1' ' A' ' 148' ' ' VAL . 3.8 tp -41.89 -37.89 1.41 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -46.98 -40.1 12.26 Favored Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.58 1.175 . . . . 0.0 110.989 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . 0.54 ' HB3' ' CD2' ' A' ' 190' ' ' HIS . 1.0 OUTLIER -77.6 -38.35 48.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 0.779 . . . . 0.0 109.3 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 198' ' ' MET . . . . . 0.924 ' SD ' HD11 ' A' ' 185' ' ' LEU . 36.4 tpp -53.31 -51.46 62.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 199' ' ' LEU . . . . . 0.517 HD21 HG11 ' A' ' 148' ' ' VAL . 3.2 mm? -68.99 -29.08 67.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.51 -7.57 56.45 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.532 1.145 . . . . 0.0 110.336 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ALA . . . . . 0.512 ' HB1' ' HD2' ' A' ' 188' ' ' ARG . . . -97.24 -41.14 8.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.583 1.177 . . . . 0.0 109.349 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 202' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 204' ' ' THR . 20.3 p -79.62 -24.06 42.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 108.334 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 203' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 202' ' ' CYS . 15.6 pt20 -37.62 -31.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 204' ' ' THR . . . . . 0.488 HG23 ' N ' ' A' ' 205' ' ' TRP . 4.6 t -114.24 -54.09 2.61 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.454 1.096 . . . . 0.0 110.384 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 205' ' ' TRP . . . . . 0.629 ' HA ' HD11 ' A' ' 184' ' ' LEU . 5.1 t90 40.09 54.47 2.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 108.006 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 206' ' ' THR . . . . . 0.42 ' OG1' ' OG1' ' A' ' 204' ' ' THR . 0.2 OUTLIER -146.86 151.27 41.61 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.408 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 154.25 42.3 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.448 1.762 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 208' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.92 -57.41 2.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.51 175.99 1.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 1.1 mtpm? -125.14 142.83 51.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 109.285 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 7.2 t -126.36 143.75 51.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.573 1.171 . . . . 0.0 110.412 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.85 137.65 33.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.582 1.176 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 213' ' ' VAL . . . . . 0.435 ' O ' HG12 ' A' ' 213' ' ' VAL . 87.1 t -121.81 72.1 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 214' ' ' LEU . . . . . . . . . . . . . 7.1 tt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.416 1.073 . . . . 0.0 109.223 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 13.4 p-80 -174.89 164.05 3.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.615 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 55.9 p-80 -175.4 166.76 3.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.102 . . . . 0.0 109.616 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -175.97 155.6 1.63 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.1 . . . . 0.0 109.577 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 66.0 t60 -175.77 143.74 0.6 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 109.593 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.3 p -177.49 157.99 1.35 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 109.98 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.18 169.11 0.99 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.02 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 144.22 138.87 3.41 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.531 1.144 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -179.3 158.79 0.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 0.747 . . . . 0.0 109.642 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.659 HD13 ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -172.9 147.08 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 109.285 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.659 ' N ' HD13 ' A' ' 10' ' ' ILE . 3.9 tt0 -174.74 174.09 2.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.411 1.069 . . . . 0.0 110.358 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -135.13 -151.27 6.22 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.533 1.145 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -161.69 100.01 1.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 0.767 . . . . 0.0 110.313 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -177.66 64.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.63 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.589 ' SD ' ' CZ ' ' A' ' 48' ' ' PHE . 1.0 OUTLIER 40.15 88.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.079 . . . . 0.0 110.981 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.5 pm0 -102.4 159.26 15.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 110.286 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -43.17 -27.34 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.22 -48.78 72.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.361 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -57.88 -59.52 5.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.58 ' CD2' HD13 ' A' ' 58' ' ' LEU . 33.1 mt -46.64 -43.82 17.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -57.01 -58.69 7.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.77 -43.65 69.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.348 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.427 ' HA ' ' CG ' ' A' ' 26' ' ' GLU . 91.2 mt -56.51 -58.16 6.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.464 ' HA ' HD21 ' A' ' 62' ' ' LEU . 1.1 ttmt -45.08 -30.77 1.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -72.69 -69.85 0.38 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.557 ' CD ' HG23 ' A' ' 40' ' ' THR . 4.7 pt-20 -48.75 -23.02 0.91 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 0.0 110.266 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.738 HG23 HG21 ' A' ' 40' ' ' THR . 36.2 t -82.96 -39.29 15.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.532 1.145 . . . . 0.0 109.26 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.26 -26.39 67.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.979 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.67 -34.75 52.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 110.306 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.588 ' HB1' ' HB3' ' A' ' 36' ' ' GLN . . . -52.37 166.71 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.457 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -110.19 162.98 18.29 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.457 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.4 Cg_endo -74.93 116.6 4.64 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.612 1.848 . . . . 0.0 111.034 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.17 42.93 11.24 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.528 1.143 . . . . 0.0 111.026 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.2 m -135.51 151.04 73.88 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.469 0.747 . . . . 0.0 109.926 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 50.76 2.61 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.555 1.818 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.588 ' HB3' ' HB1' ' A' ' 30' ' ' ALA . 0.5 OUTLIER -121.32 -46.16 2.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.319 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -68.51 -65.25 0.72 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.447 ' HE1' HD22 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -50.33 -48.3 55.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.379 1.05 . . . . 0.0 111.054 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -51.68 -46.93 64.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.738 HG21 HG23 ' A' ' 27' ' ' VAL . 1.0 OUTLIER -55.42 -30.64 60.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.424 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.74 HG22 HD21 ' A' ' 118' ' ' LEU . 2.7 mm -72.8 -32.11 39.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.455 ' HD2' HD13 ' A' ' 118' ' ' LEU . 6.1 mmm180 -80.76 -30.31 36.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.273 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.8 tp -71.04 -33.99 70.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.576 1.172 . . . . 0.0 109.272 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.45 ' HB1' ' CZ ' ' A' ' 48' ' ' PHE . . . -75.43 -38.66 59.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.265 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.2 t -69.37 -17.15 21.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.324 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -102.29 -22.61 14.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.416 ' CA ' ' OE1' ' A' ' 47' ' ' GLN . 0.3 OUTLIER -69.96 -68.45 0.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 110.312 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.589 ' CZ ' ' SD ' ' A' ' 15' ' ' MET . 8.7 p90 -114.21 -33.22 5.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' A' ' 48' ' ' PHE . 0.5 OUTLIER 81.75 94.9 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 109.261 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 120.6 6.12 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.521 1.8 . . . . 0.0 111.004 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.6 p -59.21 -175.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.387 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.78 -45.12 95.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -55.94 -55.27 34.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -52.88 -52.93 55.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.257 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 1.076 HD13 ' CG ' ' A' ' 117' ' ' TRP . 17.4 mt -48.39 -38.74 20.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.1 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.64 -57.88 10.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 110.318 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.424 ' C ' ' N ' ' A' ' 59' ' ' LEU . 44.8 t0 -63.4 -55.29 25.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.58 HD13 ' CD2' ' A' ' 20' ' ' LEU . 34.6 tp -42.6 -28.3 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.424 ' N ' ' C ' ' A' ' 57' ' ' ASP . 19.8 tp -73.34 -51.91 15.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.487 ' OE1' ' CB ' ' A' ' 68' ' ' ALA . 1.1 tp-100 -87.94 22.45 2.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 88.5 t80 -120.05 -31.99 4.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.94 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.529 HD23 ' HA ' ' A' ' 62' ' ' LEU . 8.4 mt -101.67 -63.84 1.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.35 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 28.4 p -88.69 162.07 16.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.082 . . . . 0.0 108.371 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.69 -160.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.02 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.43 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 46.7 t -85.71 -43.5 13.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 110.059 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.3 tp -49.52 -71.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -46.96 -46.54 8.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.228 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.487 ' CB ' ' OE1' ' A' ' 60' ' ' GLN . . . -48.8 -46.16 41.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.3 p -67.07 -43.08 83.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.585 1.178 . . . . 0.0 110.01 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 71.1 mt -54.99 -51.48 66.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.337 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.609 ' ND1' ' HB3' ' A' ' 120' ' ' ALA . 0.2 OUTLIER -53.79 -46.5 71.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.558 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -19.42 43.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.604 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -73.33 -66.24 0.71 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.331 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.38 -27.19 69.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.731 HD13 ' O ' ' A' ' 75' ' ' LEU . 1.9 tm? -71.72 -32.72 68.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 109.233 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -66.57 -50.04 64.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 109.297 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.62 -47.86 83.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 110.016 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.72 HD23 ' HG ' ' A' ' 116' ' ' LEU . 24.3 tp -49.39 -49.28 45.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.603 HD12 HD13 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -56.26 -48.82 78.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.9 t -46.29 -29.24 1.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.08 . . . . 0.0 109.996 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -77.04 -38.89 51.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.304 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.761 ' HB1' HG12 ' A' ' 87' ' ' ILE . . . -65.16 -61.06 2.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -52.06 -33.93 41.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.226 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.5 m -63.04 -42.46 99.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 110.418 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -81.14 -0.52 40.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.258 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 87' ' ' ILE . . . 84.04 -11.23 58.16 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.427 1.079 . . . . 0.0 110.958 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.873 HG21 HD11 ' A' ' 109' ' ' LEU . 38.5 mt 59.73 154.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 0.767 . . . . 0.0 109.317 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.656 HG23 ' H ' ' A' ' 89' ' ' GLY . 0.1 OUTLIER -36.42 -82.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.426 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.656 ' H ' HG23 ' A' ' 88' ' ' THR . . . -131.51 57.48 0.72 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.538 1.149 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.454 ' CB ' ' HB ' ' A' ' 87' ' ' ILE . 84.1 t80 -86.07 143.53 28.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.612 0.831 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.662 ' ND2' HD12 ' A' ' 93' ' ' LEU . 0.5 OUTLIER -110.49 99.75 42.23 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 -19.58 17.52 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.499 1.789 . . . . 0.0 110.943 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.909 HD13 ' N ' ' A' ' 94' ' ' ALA . 0.0 OUTLIER -60.16 -35.52 75.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.407 1.067 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.909 ' N ' HD13 ' A' ' 93' ' ' LEU . . . -58.51 -68.23 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.24 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.431 ' N ' ' CD ' ' A' ' 96' ' ' PRO . . . 134.96 -55.24 0.73 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.455 1.097 . . . . 0.0 110.936 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.431 ' CD ' ' N ' ' A' ' 95' ' ' GLY . 18.3 Cg_endo -74.96 171.09 18.99 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.467 1.772 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 100' ' ' GLN . 14.0 tp -119.99 -53.82 2.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.457 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 0.0 OUTLIER -49.57 -33.05 13.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.348 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 15.4 t -62.3 -28.18 44.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.428 1.08 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 97' ' ' LEU . 10.7 mm-40 -82.37 -32.83 29.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.395 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.456 ' HB2' ' CD2' ' A' ' 113' ' ' TYR . . . -71.25 -44.76 64.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 98' ' ' ARG . 24.0 p30 -94.94 32.09 1.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -105.4 124.24 37.0 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.167 . . . . 0.0 109.283 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -16.98 19.81 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.477 1.777 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -73.43 -16.18 61.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -149.64 79.73 1.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.259 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -69.05 -8.74 47.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 110.293 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -61.88 -57.69 16.28 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.873 HD11 HG21 ' A' ' 87' ' ' ILE . 0.4 OUTLIER -67.33 -29.74 69.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 0.805 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -55.36 -43.59 75.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -72.94 -43.32 62.48 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.477 1.11 . . . . 0.0 110.272 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -57.69 -40.18 78.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.257 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.456 ' CD2' ' HB2' ' A' ' 101' ' ' ALA . 26.4 t80 -65.94 -40.87 91.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -57.93 -42.46 84.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 110.318 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -76.22 -45.27 33.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 110.333 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.72 ' HG ' HD23 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -56.18 -36.4 68.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 1.076 ' CG ' HD13 ' A' ' 55' ' ' LEU . 90.5 t90 -67.09 -47.4 71.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 107.97 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.74 HD21 HG22 ' A' ' 41' ' ' ILE . 84.4 mt -60.15 -33.05 71.63 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.477 1.11 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 116' ' ' LEU . . . -58.44 -48.01 82.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.609 ' HB3' ' ND1' ' A' ' 71' ' ' HIS . . . -67.24 -30.42 70.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.535 ' CE1' ' CZ2' ' A' ' 117' ' ' TRP . 0.4 OUTLIER -72.19 -17.77 61.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.425 1.078 . . . . 0.0 111.031 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -117.64 6.71 12.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -99.32 -1.73 38.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 77.2 mt -63.02 151.14 86.79 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.27 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -3.17 13.53 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.541 1.811 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.426 ' O ' ' N ' ' A' ' 128' ' ' ALA . . . -177.22 65.37 0.09 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.454 1.096 . . . . 0.0 110.939 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.667 ' O ' ' HB2' ' A' ' 128' ' ' ALA . 93.7 p -67.0 69.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 0.726 . . . . 0.0 110.012 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.667 ' HB2' ' O ' ' A' ' 127' ' ' SER . . . 164.46 -169.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.43 ' O ' ' CB ' ' A' ' 32' ' ' PRO . 0.0 OUTLIER -155.41 -163.24 1.49 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.588 1.18 . . . . 0.0 109.343 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 176.07 79.28 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.583 1.177 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.455 ' O ' ' HB3' ' A' ' 134' ' ' ALA . 18.2 Cg_endo -75.0 117.13 4.8 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.42 1.747 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.5 m -74.36 -29.44 61.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.989 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.857 ' HA ' HD12 ' A' ' 136' ' ' ILE . 13.2 p-90 -70.87 -10.12 58.99 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 131' ' ' PRO . . . -68.61 -11.14 59.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.579 1.174 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 24.7 m -129.84 28.95 5.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.048 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.857 HD12 ' HA ' ' A' ' 133' ' ' TRP . 39.6 mt -117.23 118.36 58.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.504 HD23 ' HA ' ' A' ' 176' ' ' ASN . 0.0 OUTLIER -138.12 146.85 43.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.608 ' OE1' ' CD2' ' A' ' 144' ' ' TYR . 0.3 OUTLIER -66.74 127.12 31.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.31 -179.907 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . 0.434 ' O ' ' NE2' ' A' ' 138' ' ' GLN . . . -91.26 135.76 12.97 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.627 HD22 ' OD1' ' A' ' 178' ' ' ASN . 0.0 OUTLIER -49.38 -42.69 42.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 0.0 109.342 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -95.83 38.16 1.18 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -136.28 159.98 68.7 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.42 1.075 . . . . 0.0 110.269 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . 0.526 ' HB2' ' HB3' ' A' ' 146' ' ' ALA . 18.3 Cg_endo -75.02 116.61 4.64 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.469 1.773 . . . . 0.0 111.031 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . 0.773 ' O ' HG23 ' A' ' 148' ' ' VAL . 0.4 OUTLIER -66.35 -54.58 22.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.408 1.067 . . . . 0.0 111.044 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . 0.468 ' HA ' ' CD1' ' A' ' 199' ' ' LEU . 2.3 t-160 -52.9 -47.61 67.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.553 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.526 ' HB3' ' HB2' ' A' ' 143' ' ' PRO . . . -62.53 -41.14 98.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.09 . . . . 0.0 109.335 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . 0.574 ' CE2' ' HB2' ' A' ' 138' ' ' GLN . 3.1 t80 -61.53 -50.28 73.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.773 HG23 ' O ' ' A' ' 144' ' ' TYR . 46.0 t -48.98 -40.76 12.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.118 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -66.44 -65.06 0.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.407 1.067 . . . . 0.0 110.367 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.49 ' HA ' HD12 ' A' ' 153' ' ' ILE . 0.6 OUTLIER -45.59 -37.98 6.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.72 HD11 ' HB3' ' A' ' 172' ' ' LEU . 0.2 OUTLIER -59.78 -47.78 84.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 -64.84 -37.34 87.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.35 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.49 HD12 ' HA ' ' A' ' 150' ' ' ARG . 26.1 mt -62.33 -57.61 11.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.38 1.05 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -56.03 -21.61 22.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.575 1.172 . . . . 0.0 109.35 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 0.765 HD23 HD23 ' A' ' 159' ' ' LEU . 5.8 mt -86.28 -20.73 27.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -83.57 -13.03 55.36 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -113.14 -9.6 13.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.226 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -121.94 -43.91 0.39 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.453 1.096 . . . . 0.0 111.019 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.765 HD23 HD23 ' A' ' 155' ' ' LEU . 0.2 OUTLIER -79.85 114.42 46.03 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.486 0.756 . . . . 0.0 109.29 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . 0.56 ' HD2' HD13 ' A' ' 159' ' ' LEU . 18.3 Cg_endo -75.15 174.16 13.27 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.473 1.775 . . . . 0.0 110.958 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.53 -17.97 46.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 110.268 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -82.34 1.69 86.74 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.489 1.118 . . . . 0.0 111.035 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' THR . . . . . 0.738 HG23 ' HD2' ' A' ' 164' ' ' PRO . 2.9 m -129.0 146.16 59.57 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.494 0.761 . . . . 0.0 110.424 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' PRO . . . . . 0.738 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.1 Cg_endo -75.05 113.63 3.84 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.504 1.792 . . . . 0.0 110.952 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . 0.546 ' HB2' HD12 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -101.67 -32.35 10.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . 0.518 ' CB ' ' HD3' ' A' ' 167' ' ' PRO . 0.2 OUTLIER -43.11 -53.67 10.32 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 -179.894 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 167' ' ' PRO . . . . . 0.518 ' HD3' ' CB ' ' A' ' 166' ' ' ASP . 18.4 Cg_endo -74.94 -50.02 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.498 1.788 . . . . 0.0 111.065 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . 0.536 ' CD1' HD21 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -45.4 -39.81 2.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 21.4 tp -59.24 -64.08 1.07 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.15 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . 0.434 ' CD ' ' O ' ' A' ' 166' ' ' ASP . 9.7 mpt_? -51.39 -34.91 36.43 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 0.0 110.301 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.29 -29.63 65.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.081 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.72 ' HB3' HD11 ' A' ' 151' ' ' LEU . 5.2 mt -79.03 -45.52 20.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.357 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . 0.671 ' O ' ' HB2' ' A' ' 177' ' ' ALA . . . -70.58 -9.95 58.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 109.236 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 174' ' ' TYR . . . . . 0.428 ' O ' ' CG ' ' A' ' 182' ' ' GLN . 61.1 t80 -99.02 -69.08 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.654 1.221 . . . . 0.0 111.027 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.63 -49.43 77.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 110.06 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . 0.504 ' HA ' HD23 ' A' ' 137' ' ' LEU . 0.9 OUTLIER -89.61 57.06 3.78 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.45 1.094 . . . . 0.0 109.326 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . 0.671 ' HB2' ' O ' ' A' ' 173' ' ' ALA . . . -133.68 139.88 46.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.237 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . 0.627 ' OD1' HD22 ' A' ' 140' ' ' LEU . 14.8 t30 -40.06 158.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.451 ' N ' ' OD1' ' A' ' 178' ' ' ASN . 0.3 OUTLIER -64.57 -42.77 95.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . 0.424 ' HB3' ' ND2' ' A' ' 178' ' ' ASN . 0.5 OUTLIER -68.5 -23.32 64.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.265 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 181' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 184' ' ' LEU . 39.4 m -79.47 -64.13 1.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 108.261 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . 0.428 ' CG ' ' O ' ' A' ' 174' ' ' TYR . 1.6 mt-30 -41.43 -33.52 0.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.241 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -75.22 -47.18 29.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.265 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.753 HD23 ' O ' ' A' ' 184' ' ' LEU . 1.5 tt -52.3 -33.67 43.26 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.579 1.175 . . . . 0.0 109.334 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . 0.922 HD11 ' SD ' ' A' ' 198' ' ' MET . 6.0 mt -68.67 -63.14 1.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.086 . . . . 0.0 109.308 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . 0.77 ' OE1' HG21 ' A' ' 191' ' ' THR . 1.9 mm100 -50.06 -52.75 31.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.288 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -50.62 -50.04 55.19 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.468 1.105 . . . . 0.0 109.241 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . 0.474 ' HG3' ' CD2' ' A' ' 184' ' ' LEU . 0.2 OUTLIER -57.91 -17.66 18.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 61.29 44.29 98.27 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.467 1.104 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . 0.75 ' NE2' HD23 ' A' ' 185' ' ' LEU . 1.0 OUTLIER -139.5 36.85 2.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.758 . . . . 0.0 109.549 -179.899 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . 0.77 HG21 ' OE1' ' A' ' 186' ' ' GLN . 0.8 OUTLIER -60.31 -46.3 90.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.392 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -91.77 63.8 4.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.241 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 193' ' ' SER . . . . . 0.438 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.4 OUTLIER -137.19 175.39 3.51 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.032 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . 0.438 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.5 Cg_endo -74.98 -174.28 1.87 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.509 1.794 . . . . 0.0 110.993 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . 0.707 HD21 HG12 ' A' ' 148' ' ' VAL . 8.8 tp -75.67 -42.36 51.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -43.92 -36.31 3.7 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.487 1.117 . . . . 0.0 111.036 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . 0.491 ' HB3' ' CE1' ' A' ' 190' ' ' HIS . 16.7 t0 -78.17 -36.05 47.99 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.497 0.763 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 198' ' ' MET . . . . . 0.922 ' SD ' HD11 ' A' ' 185' ' ' LEU . 44.6 tpp -57.43 -32.94 67.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.985 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 199' ' ' LEU . . . . . 0.468 ' CD1' ' HA ' ' A' ' 145' ' ' HIS . 2.0 mm? -83.03 -31.05 27.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 9.9 mtp180 -75.4 -8.96 58.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -100.92 -32.4 10.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.345 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 202' ' ' CYS . . . . . 0.567 ' HB2' ' CD2' ' A' ' 144' ' ' TYR . 9.3 p -87.6 -16.35 34.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 108.289 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 203' ' ' GLN . . . . . 0.421 ' HG3' ' N ' ' A' ' 204' ' ' THR . 11.8 pt20 -53.05 -42.38 65.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.363 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 204' ' ' THR . . . . . 0.429 ' O ' ' N ' ' A' ' 206' ' ' THR . 0.0 OUTLIER -83.08 -10.35 58.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 110.415 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 205' ' ' TRP . . . . . 0.482 ' HB2' ' CD1' ' A' ' 184' ' ' LEU . 16.6 t90 -71.05 61.16 0.27 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 206' ' ' THR . . . . . 0.429 ' N ' ' O ' ' A' ' 204' ' ' THR . 7.8 t -133.02 145.79 58.5 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.41 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 155.73 43.0 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.46 1.768 . . . . 0.0 111.01 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 208' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt 57.37 102.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.63 174.21 11.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 7.9 pttt -118.33 -45.31 2.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 17.0 p -81.68 137.29 35.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.429 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 3.4 tttt -87.94 -64.94 1.07 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 213' ' ' VAL . . . . . . . . . . . . . 78.3 t -132.41 -62.68 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 214' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 -159.52 174.81 14.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 109.604 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -168.5 174.79 6.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.42 1.075 . . . . 0.0 109.66 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -174.07 174.87 2.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.62 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 12.5 p-80 -172.78 174.7 3.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.55 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.97 168.87 0.74 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.939 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.93 170.44 0.7 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.035 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -175.94 171.78 44.81 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.503 1.127 . . . . 0.0 110.962 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -178.83 174.83 1.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 0.747 . . . . 0.0 109.673 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.8 pt -137.46 177.05 6.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.263 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -125.72 -59.69 1.34 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.528 1.143 . . . . 0.0 110.25 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.55 -142.31 10.07 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.45 1.094 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.6 100.33 4.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 0.741 . . . . 0.0 110.295 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.457 ' CE1' HG21 ' A' ' 51' ' ' THR . 0.0 OUTLIER -176.33 63.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 109.612 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.68 ' HE1' HD21 ' A' ' 20' ' ' LEU . 2.9 ttt 53.79 100.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.457 1.098 . . . . 0.0 111.029 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.446 ' HG3' ' N ' ' A' ' 17' ' ' MET . 26.2 tp60 -79.8 145.44 32.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.142 . . . . 0.0 110.279 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.446 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -42.14 -39.91 2.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 110.978 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 pttp -58.09 -45.65 86.81 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.559 1.162 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 16' ' ' GLN . 13.5 m-20 -51.98 -49.1 63.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.792 ' HA ' HD12 ' A' ' 23' ' ' ILE . 6.4 mt -63.14 -29.01 70.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.443 ' NE2' ' O ' ' A' ' 17' ' ' MET . 1.0 OUTLIER -70.92 -48.93 50.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.7 -33.1 71.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.792 HD12 ' HA ' ' A' ' 20' ' ' LEU . 22.9 mt -66.94 -57.74 8.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 0.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.52 ' HA ' HD21 ' A' ' 62' ' ' LEU . 20.4 tttm -45.55 -26.26 0.56 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.42 ' N ' ' C ' ' A' ' 23' ' ' ILE . 0.6 OUTLIER -74.03 -67.96 0.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.284 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.694 ' CD ' HG23 ' A' ' 40' ' ' THR . 3.5 pt-20 -53.61 -21.19 6.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.333 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.555 HG13 ' CD1' ' A' ' 37' ' ' PHE . 45.1 t -80.86 -47.36 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.353 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.5 t -49.22 -33.33 12.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.982 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.44 -35.57 73.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 27' ' ' VAL . . . -48.73 167.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.736 ' HB3' ' HB2' ' A' ' 34' ' ' SER . . . -95.68 162.43 24.29 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.448 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.1 Cg_endo -75.03 107.42 2.48 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.508 1.794 . . . . 0.0 110.937 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 69.6 46.96 52.47 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.57 1.169 . . . . 0.0 111.037 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.736 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -126.9 160.07 61.07 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 109.961 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 48.91 2.11 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.535 1.808 . . . . 0.0 111.036 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -121.67 -51.85 2.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.272 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.708 ' CE1' HD11 ' A' ' 41' ' ' ILE . 5.2 t80 -58.93 -56.77 17.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.171 . . . . 0.0 110.964 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.44 ' CE ' HD22 ' A' ' 118' ' ' LEU . 2.9 tpt -51.03 -40.69 58.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.171 . . . . 0.0 111.013 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -57.75 -39.44 77.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.694 HG23 ' CD ' ' A' ' 26' ' ' GLU . 1.1 m -66.04 -26.41 67.5 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.571 1.169 . . . . 0.0 110.41 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.797 HG22 HD21 ' A' ' 118' ' ' LEU . 21.9 mm -67.92 -40.57 83.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.359 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.42 ' CD ' HD13 ' A' ' 118' ' ' LEU . 3.2 mpp_? -69.12 -34.44 75.05 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.493 1.121 . . . . 0.0 110.315 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 35.1 tp -63.35 -44.66 94.21 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.54 -50.78 41.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 109.253 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.821 HG11 HD11 ' A' ' 118' ' ' LEU . 0.3 OUTLIER -58.68 -17.27 10.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.474 1.109 . . . . 0.0 109.261 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -96.43 -22.46 17.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 110.318 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -69.34 -70.21 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.28 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.569 ' CZ ' ' HG3' ' A' ' 15' ' ' MET . 9.5 p90 -111.64 -34.57 6.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.085 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.513 ' CB ' ' O ' ' A' ' 48' ' ' PHE . 2.4 t70 82.94 91.72 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.271 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.61 ' HD2' HG23 ' A' ' 45' ' ' VAL . 18.3 Cg_endo -74.99 128.17 11.28 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.522 1.801 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.457 HG21 ' CE1' ' A' ' 14' ' ' HIS . 7.7 t -69.09 -173.81 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 110.375 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.427 ' N ' ' OG1' ' A' ' 51' ' ' THR . . . -54.91 -48.35 73.18 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.443 1.09 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.4 -58.34 7.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.315 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -56.67 -49.42 75.12 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 1.071 HD13 ' CG ' ' A' ' 117' ' ' TRP . 18.0 mt -53.07 -32.39 46.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.413 ' HA ' ' OE1' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -61.62 -63.58 1.22 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.472 1.107 . . . . 0.0 110.34 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.481 ' O ' ' CB ' ' A' ' 61' ' ' TYR . 0.1 OUTLIER -56.82 -45.16 82.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 0.0 109.349 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.1 tp -52.77 -25.17 10.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 20.3 tp -77.19 -52.5 9.14 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.36 24.28 2.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.481 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 50.0 t80 -120.51 -44.87 2.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 110.988 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.52 HD21 ' HA ' ' A' ' 24' ' ' LYS . 5.0 mt -106.32 -61.21 1.55 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.483 ' HB3' ' CG1' ' A' ' 67' ' ' VAL . 8.8 m -59.84 168.08 1.92 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 108.32 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 78.9 p -92.51 175.88 6.66 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.612 1.195 . . . . 0.0 109.996 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.412 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 30.4 t -59.78 -68.68 0.26 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.134 . . . . 0.0 110.011 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.41 HD12 HD11 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -42.84 -55.79 3.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.348 179.916 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.483 ' CG1' ' HB3' ' A' ' 63' ' ' CYS . 2.1 t -47.81 -49.0 11.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 65' ' ' SER . . . -56.07 -40.77 74.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.1 m -65.7 -43.42 89.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.009 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.41 HD11 HD12 ' A' ' 66' ' ' LEU . 59.0 mt -60.99 -56.19 24.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.238 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.478 ' ND1' ' HB3' ' A' ' 120' ' ' ALA . 2.2 t60 -54.16 -49.95 68.11 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 109.626 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -46.71 -43.16 17.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.684 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.63 -61.61 2.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.584 1.177 . . . . 0.0 110.272 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.494 ' OE1' ' CB ' ' A' ' 123' ' ' ALA . 2.8 mt-30 -52.41 -30.36 28.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 110.341 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.727 HD13 ' CD1' ' A' ' 79' ' ' ILE . 0.2 OUTLIER -66.93 -49.53 65.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -54.8 -48.05 73.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 33.7 t -67.59 -27.55 67.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 110.0 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.907 HD23 ' HG ' ' A' ' 116' ' ' LEU . 0.9 OUTLIER -66.32 -68.65 0.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.246 -179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.763 ' CG1' HD22 ' A' ' 97' ' ' LEU . 1.5 mp -44.73 -45.3 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.426 1.079 . . . . 0.0 109.219 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.406 ' O ' ' CB ' ' A' ' 84' ' ' THR . 33.2 t -51.09 -36.81 42.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.942 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 78' ' ' LEU . 5.9 tt0 -69.71 -41.19 75.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.31 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.403 ' HB1' ' CG1' ' A' ' 87' ' ' ILE . . . -61.31 -56.61 18.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.407 1.067 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.411 ' HG2' ' CE2' ' A' ' 90' ' ' TYR . 9.9 mt-10 -60.15 -44.42 95.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.302 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.406 ' CB ' ' O ' ' A' ' 80' ' ' SER . 5.5 m -58.05 -47.52 82.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.434 1.084 . . . . 0.0 110.432 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.26 -2.85 23.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 68.1 82.68 0.16 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.493 1.12 . . . . 0.0 111.008 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.471 ' CG2' ' N ' ' A' ' 88' ' ' THR . 8.1 mt -43.93 164.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.475 0.75 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.517 HG23 ' N ' ' A' ' 89' ' ' GLY . 7.7 t -72.69 -54.59 8.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.393 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.517 ' N ' HG23 ' A' ' 88' ' ' THR . . . -133.85 71.2 0.5 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.509 1.131 . . . . 0.0 110.966 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.576 ' CG ' ' N ' ' A' ' 91' ' ' ASN . 49.4 t80 -112.55 172.95 6.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 0.771 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.775 ' HB2' HD12 ' A' ' 93' ' ' LEU . 12.6 p-10 -136.09 122.0 13.74 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 1.64 7.51 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.47 1.774 . . . . 0.0 110.965 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.971 ' O ' HD22 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -95.67 -7.16 38.24 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.744 ' N ' HD13 ' A' ' 93' ' ' LEU . . . -109.83 59.87 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.079 . . . . 0.0 109.381 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.493 ' C ' ' O ' ' A' ' 94' ' ' ALA . . . -30.36 -55.4 0.23 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.529 1.143 . . . . 0.0 111.077 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.412 ' CD ' ' N ' ' A' ' 95' ' ' GLY . 18.1 Cg_endo -75.12 99.63 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.484 1.781 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.763 HD22 ' CG1' ' A' ' 79' ' ' ILE . 8.3 tp -60.26 -15.21 22.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.452 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 36.3 ptt-85 -76.66 0.61 19.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 18.9 t -96.83 -55.16 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.566 ' NE2' ' HB3' ' A' ' 94' ' ' ALA . 6.5 pm0 -75.85 -0.05 19.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.34 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -94.68 -19.46 20.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.22 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 98' ' ' ARG . 10.2 m-20 -94.06 -5.12 48.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 109.349 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.413 ' ND2' ' HB2' ' A' ' 105' ' ' GLN . 34.0 t30 -88.24 119.79 70.38 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -4.77 15.9 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.493 1.786 . . . . 0.0 111.0 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.413 ' HB2' ' ND2' ' A' ' 103' ' ' ASN . 4.7 mm100 -67.31 -51.52 51.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.591 1.182 . . . . 0.0 110.318 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.445 ' NE2' ' O ' ' A' ' 100' ' ' GLN . 5.4 pt20 -100.13 71.82 1.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.289 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -14.04 15.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.423 1.077 . . . . 0.0 110.3 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -60.85 -57.29 19.57 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.511 1.132 . . . . 0.0 110.94 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.414 ' CD1' HG21 ' A' ' 87' ' ' ILE . 0.8 OUTLIER -75.2 -45.58 39.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 0.776 . . . . 0.0 109.315 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 17.2 ttt180 -41.17 -42.5 2.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.23 -44.5 29.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.241 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.402 ' O ' ' OE2' ' A' ' 112' ' ' GLU . 8.9 tp10 -56.24 -25.32 47.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.265 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.591 ' CE2' HD23 ' A' ' 97' ' ' LEU . 1.9 t80 -81.5 -49.93 10.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 111.003 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.563 ' HG3' HG22 ' A' ' 45' ' ' VAL . 1.6 tm0? -49.11 -43.0 41.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 110.336 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.42 -33.15 64.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.907 ' HG ' HD23 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -68.47 -30.25 69.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 1.071 ' CG ' HD13 ' A' ' 55' ' ' LEU . 70.8 t90 -68.54 -57.57 5.58 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.821 HD11 HG11 ' A' ' 45' ' ' VAL . 28.5 mt -51.71 -29.01 16.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.499 ' HB3' HD21 ' A' ' 78' ' ' LEU . . . -62.13 -62.04 2.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.536 ' CB ' HD23 ' A' ' 75' ' ' LEU . . . -56.69 -24.04 46.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.559 1.162 . . . . 0.0 109.342 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.791 ' CE1' ' CZ2' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -74.58 -45.52 44.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -87.36 8.19 25.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.494 ' CB ' ' OE1' ' A' ' 74' ' ' GLN . . . -97.66 0.67 47.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.263 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 78.3 mt -70.88 153.93 94.52 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.229 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 -6.25 17.76 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.459 1.768 . . . . 0.0 111.009 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -111.12 -47.09 0.78 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.488 1.118 . . . . 0.0 111.002 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.597 ' O ' ' HB2' ' A' ' 128' ' ' ALA . 0.2 OUTLIER -77.77 60.71 2.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 0.766 . . . . 0.0 110.066 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.597 ' HB2' ' O ' ' A' ' 127' ' ' SER . . . 170.23 64.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.417 1.073 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -153.67 164.62 37.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -172.97 91.82 0.38 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.617 ' O ' ' HB3' ' A' ' 134' ' ' ALA . 18.2 Cg_endo -75.02 114.3 3.99 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.492 1.785 . . . . 0.0 111.02 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.42 -41.79 79.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.003 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.864 ' HA ' HD12 ' A' ' 136' ' ' ILE . 11.8 p-90 -57.65 -18.7 21.77 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.617 ' HB3' ' O ' ' A' ' 131' ' ' PRO . . . -60.63 -14.65 21.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 109.257 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 11.9 p -129.29 35.48 4.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.976 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.864 HD12 ' HA ' ' A' ' 133' ' ' TRP . 62.5 mt -123.25 119.03 56.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.599 ' O ' ' CZ ' ' A' ' 147' ' ' PHE . 0.2 OUTLIER -136.44 -176.74 4.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.432 1.083 . . . . 0.0 109.345 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.464 ' CG ' ' HA ' ' A' ' 144' ' ' TYR . 0.0 OUTLIER -105.62 115.21 29.86 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.441 1.088 . . . . 0.0 110.325 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -74.4 145.93 35.18 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.568 1.168 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.686 HD13 ' O ' ' A' ' 140' ' ' LEU . 2.3 tm? -57.58 -18.46 19.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 0.787 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -129.68 47.15 2.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 110.316 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -139.32 159.68 65.09 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 109.94 3.02 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.427 1.751 . . . . 0.0 110.926 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . 0.856 ' O ' HG23 ' A' ' 148' ' ' VAL . 0.9 OUTLIER -69.06 -44.35 72.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 110.991 179.91 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . 0.461 ' C ' ' CD2' ' A' ' 145' ' ' HIS . 0.5 OUTLIER -57.0 -54.1 50.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.657 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -56.51 -50.03 73.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . 0.599 ' CZ ' ' O ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -47.5 -42.23 22.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 111.034 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.856 HG23 ' O ' ' A' ' 144' ' ' TYR . 38.5 t -60.56 -40.71 85.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.04 -56.12 24.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 110.266 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.605 ' HA ' HD12 ' A' ' 153' ' ' ILE . 17.2 mtt180 -59.87 -35.33 74.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.155 . . . . 0.0 110.33 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.474 ' HB3' ' CD1' ' A' ' 169' ' ' LEU . 1.7 mt -55.39 -48.32 74.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -60.33 -34.59 74.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.36 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.605 HD12 ' HA ' ' A' ' 150' ' ' ARG . 5.8 mt -67.64 -63.97 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.422 1.076 . . . . 0.0 109.288 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -52.59 -21.91 4.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 0.702 HD23 ' CD1' ' A' ' 133' ' ' TRP . 15.6 mt -86.22 -28.05 24.1 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.242 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 153' ' ' ILE . 0.8 OUTLIER -79.48 -7.7 58.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.439 1.087 . . . . 0.0 109.32 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -112.73 -30.67 7.0 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.427 1.079 . . . . 0.0 109.311 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -102.31 -43.17 2.07 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.64 HD23 ' CE2' ' A' ' 133' ' ' TRP . 0.2 OUTLIER -79.63 114.68 47.72 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.521 0.777 . . . . 0.0 109.245 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . 0.563 ' HD2' HD13 ' A' ' 159' ' ' LEU . 18.3 Cg_endo -74.96 -169.1 0.58 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.42 1.748 . . . . 0.0 111.007 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -95.71 -14.67 23.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 110.258 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -93.65 18.36 56.66 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.476 1.11 . . . . 0.0 111.03 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' THR . . . . . 0.692 HG23 ' HD2' ' A' ' 164' ' ' PRO . 3.9 m -138.28 145.85 48.98 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.487 0.757 . . . . 0.0 110.43 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' PRO . . . . . 0.692 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.3 Cg_endo -75.02 109.84 3.0 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.52 1.8 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . 0.594 ' HB2' HD12 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -100.03 -33.39 10.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.34 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . 0.513 ' CB ' ' HD3' ' A' ' 167' ' ' PRO . 0.1 OUTLIER -41.88 -53.28 8.19 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.429 1.08 . . . . 0.0 109.284 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 167' ' ' PRO . . . . . 0.513 ' HD3' ' CB ' ' A' ' 166' ' ' ASP . 18.4 Cg_endo -75.04 -48.8 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.448 1.762 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . 0.622 HD13 HD21 ' A' ' 159' ' ' LEU . 0.4 OUTLIER -47.96 -43.56 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.329 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . 0.496 HD13 HD12 ' A' ' 155' ' ' LEU . 26.3 tp -60.52 -63.85 1.16 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 13.1 mtm105 -47.7 -23.66 0.75 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.257 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.58 -54.38 6.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 109.954 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.482 HD21 ' CE3' ' A' ' 133' ' ' TRP . 0.7 OUTLIER -65.01 -12.93 55.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.34 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -89.96 -36.6 14.89 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.095 . . . . 0.0 109.262 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 174' ' ' TYR . . . . . 0.442 ' O ' ' C ' ' A' ' 175' ' ' SER . 11.8 t80 -113.81 -71.94 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 110.97 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 174' ' ' TYR . 23.5 t -35.63 -39.34 0.14 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.449 1.093 . . . . 0.0 109.982 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . 0.503 ' HB3' HD23 ' A' ' 137' ' ' LEU . 29.6 m120 -110.74 60.27 0.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.267 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 174' ' ' TYR . . . -134.61 152.6 51.89 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . 0.435 ' OD1' ' NE2' ' A' ' 138' ' ' GLN . 4.7 p-10 -53.44 -174.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.38 -42.4 25.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . 0.465 ' HB2' ' CD2' ' A' ' 140' ' ' LEU . 0.4 OUTLIER -60.37 -21.37 62.07 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.138 . . . . 0.0 110.257 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 181' ' ' CYS . . . . . 0.536 ' SG ' ' CD2' ' A' ' 144' ' ' TYR . 53.6 t -86.53 -69.47 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 108.335 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . 0.489 HE21 ' N ' ' A' ' 183' ' ' LYS . 0.0 OUTLIER -44.97 -31.92 1.45 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.453 1.095 . . . . 0.0 110.276 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 183' ' ' LYS . . . . . 0.489 ' N ' HE21 ' A' ' 182' ' ' GLN . 29.2 mtmt -75.03 -42.5 57.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.573 HD23 ' O ' ' A' ' 184' ' ' LEU . 2.3 tt -54.91 -56.04 23.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . 0.518 HD11 ' HE2' ' A' ' 198' ' ' MET . 16.9 mt -51.36 -52.82 42.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.267 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -52.66 -48.63 66.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -57.64 -31.11 65.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.345 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . 0.435 ' HG3' ' CD2' ' A' ' 184' ' ' LEU . 0.1 OUTLIER -81.5 -18.35 45.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 58.54 55.29 31.58 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.443 1.089 . . . . 0.0 110.969 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . 0.5 ' O ' ' C ' ' A' ' 191' ' ' THR . 0.5 OUTLIER -155.76 26.5 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 109.6 -179.92 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . 0.5 ' C ' ' O ' ' A' ' 190' ' ' HIS . 17.6 p -30.93 -57.41 0.22 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 110.358 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 192' ' ' ASN . . . . . 0.457 ' O ' ' O ' ' A' ' 193' ' ' SER . 27.2 t-20 -68.94 -110.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.097 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 193' ' ' SER . . . . . 0.549 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER 47.97 -179.61 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.975 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . 0.549 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.2 Cg_endo -75.07 166.04 29.95 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.494 1.786 . . . . 0.0 110.939 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . 0.519 HD21 ' CG1' ' A' ' 148' ' ' VAL . 11.1 tp -67.4 -44.29 79.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -46.99 -41.63 14.34 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.07 -38.69 86.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 0.74 . . . . 0.0 109.35 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 198' ' ' MET . . . . . 0.518 ' HE2' HD11 ' A' ' 185' ' ' LEU . 90.9 mtp -62.35 -34.11 76.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 199' ' ' LEU . . . . . 0.63 HD21 HG11 ' A' ' 148' ' ' VAL . 3.1 mm? -75.11 -22.51 58.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 109.361 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 10.2 mtm180 -85.96 -14.38 44.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 110.309 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -89.51 -35.36 15.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.597 1.186 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 202' ' ' CYS . . . . . 0.596 ' CB ' ' CD1' ' A' ' 144' ' ' TYR . 1.0 OUTLIER -88.47 -18.61 27.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 108.288 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 203' ' ' GLN . . . . . 0.443 ' CG ' ' N ' ' A' ' 204' ' ' THR . 15.0 pt20 -38.15 -46.42 1.04 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.48 1.112 . . . . 0.0 110.327 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 204' ' ' THR . . . . . 0.75 ' OG1' HG22 ' A' ' 206' ' ' THR . 5.8 t -100.16 -48.2 4.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.563 1.164 . . . . 0.0 110.388 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 205' ' ' TRP . . . . . 0.566 ' O ' ' CD1' ' A' ' 205' ' ' TRP . 5.0 t90 41.93 59.71 2.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 108.011 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 206' ' ' THR . . . . . 0.75 HG22 ' OG1' ' A' ' 204' ' ' THR . 5.3 t -167.8 146.24 3.96 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 110.44 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -178.96 4.55 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.583 1.833 . . . . 0.0 110.924 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 208' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -157.77 112.04 2.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.574 1.171 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -159.43 105.02 1.65 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.425 1.078 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.33 140.67 10.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.372 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 12.3 t -169.23 143.05 2.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.39 1.056 . . . . 0.0 110.37 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -170.21 64.03 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.409 1.068 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 213' ' ' VAL . . . . . . . . . . . . . 62.9 t -75.58 -62.02 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.354 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 214' ' ' LEU . . . . . . . . . . . . . 4.4 tt . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.261 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 19.6 p-80 -178.87 173.66 1.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.592 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.6 p80 -174.41 156.7 2.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.573 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 8.7 p-80 -175.86 174.58 2.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.596 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -164.56 174.68 10.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.627 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 177.46 170.46 0.61 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.964 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.97 171.06 17.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 110.049 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -150.86 -153.42 6.14 Favored Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.501 1.126 . . . . 0.0 111.013 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.0 p-80 -163.08 147.38 11.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.389 0.699 . . . . 0.0 109.606 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.6 pt -137.64 177.05 6.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 109.237 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -153.12 170.25 20.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 110.291 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.77 127.12 1.44 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.458 1.098 . . . . 0.0 111.006 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -177.55 170.66 2.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 0.774 . . . . 0.0 110.359 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.525 ' O ' ' CD2' ' A' ' 14' ' ' HIS . 7.2 t60 57.91 93.3 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.53 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.593 ' SD ' ' CE1' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -33.92 136.01 0.13 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.527 1.142 . . . . 0.0 111.023 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.422 ' N ' ' HG3' ' A' ' 15' ' ' MET . 5.9 pm0 -121.97 174.42 6.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.245 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -54.01 -18.91 3.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 111.041 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -61.39 1.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.078 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -47.12 -43.41 20.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.258 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.738 HD21 ' HB2' ' A' ' 58' ' ' LEU . 25.4 mt -54.05 -53.65 50.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 109.336 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.97 -53.84 47.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.241 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.49 -42.12 66.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.495 HD12 ' HA ' ' A' ' 20' ' ' LEU . 29.3 mt -59.98 -48.82 86.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.4 ttpp -50.25 -27.0 5.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -76.66 -69.58 0.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.628 ' CD ' HG23 ' A' ' 40' ' ' THR . 4.3 pt-20 -48.59 -23.54 1.04 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.857 HG23 HG21 ' A' ' 40' ' ' THR . 22.2 t -83.06 -43.41 18.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.448 1.093 . . . . 0.0 109.207 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 57.7 m -53.15 -20.79 4.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.006 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -81.78 -40.61 22.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 110.315 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.632 ' HB1' ' HB3' ' A' ' 36' ' ' GLN . . . -48.81 166.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.436 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -105.66 162.58 19.27 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.436 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.2 Cg_endo -74.97 117.34 4.88 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.547 1.814 . . . . 0.0 111.033 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 71.43 38.74 62.11 Favored Glycine 0 CA--C 1.528 0.905 0 O-C-N 124.551 1.157 . . . . 0.0 111.054 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.5 m -125.85 155.1 73.38 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.448 0.734 . . . . 0.0 110.018 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 50.15 2.45 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.461 1.769 . . . . 0.0 110.965 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.632 ' HB3' ' HB1' ' A' ' 30' ' ' ALA . 13.5 tp60 -121.33 -53.2 2.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.258 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.526 ' HD2' HG13 ' A' ' 27' ' ' VAL . 4.2 t80 -58.06 -59.6 5.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.106 . . . . 0.0 110.974 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.482 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -48.7 -41.86 33.1 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.556 1.16 . . . . 0.0 110.96 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -54.31 -41.0 68.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 110.315 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.857 HG21 HG23 ' A' ' 27' ' ' VAL . 1.4 m -67.63 -23.92 65.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.41 1.069 . . . . 0.0 110.415 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.731 HG22 ' CD2' ' A' ' 118' ' ' LEU . 12.4 mm -74.9 -57.43 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.47 ' HG3' HD13 ' A' ' 118' ' ' LEU . 0.8 OUTLIER -61.77 -31.45 71.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 110.33 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 22.1 tp -67.92 -48.04 67.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.51 ' O ' ' CE1' ' A' ' 48' ' ' PHE . . . -65.61 -32.92 74.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.643 HG11 HD11 ' A' ' 118' ' ' LEU . 0.9 OUTLIER -72.23 -37.05 57.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.587 1.179 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -87.3 0.3 55.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 110.312 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.34 -68.9 0.76 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.251 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.593 ' CE1' ' SD ' ' A' ' 15' ' ' MET . 0.2 OUTLIER -116.9 -24.85 7.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.578 1.174 . . . . 0.0 110.907 -179.931 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.412 ' HA ' ' OE1' ' A' ' 114' ' ' GLN . 1.1 m-20 72.34 98.31 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.551 1.157 . . . . 0.0 109.241 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.425 ' HB2' ' CB ' ' A' ' 54' ' ' ASP . 18.2 Cg_endo -74.95 143.0 28.73 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.527 1.804 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.5 p -61.9 -172.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.412 1.07 . . . . 0.0 110.412 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.23 -46.44 67.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.407 ' HD3' ' N ' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -63.78 -39.21 93.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.425 ' CB ' ' HB2' ' A' ' 50' ' ' PRO . 77.2 m-20 -57.55 -37.84 73.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 1.021 HD13 ' CG ' ' A' ' 117' ' ' TRP . 31.5 mt -65.89 -48.17 72.41 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.13 . . . . 0.0 109.347 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -53.71 -53.02 58.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 110.347 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.67 -57.5 10.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.738 ' HB2' HD21 ' A' ' 20' ' ' LEU . 10.0 tp -44.01 -40.33 4.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.342 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 33.1 tp -55.94 -54.14 48.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.35 5.41 14.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.31 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 8.3 t80 -97.68 -21.1 17.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 0.0 110.956 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 61' ' ' TYR . 49.2 mt -120.14 -69.87 0.82 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 3.3 p -68.67 173.04 5.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 108.302 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.44 ' O ' ' HB2' ' A' ' 68' ' ' ALA . 0.5 OUTLIER -87.7 -165.68 1.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.617 1.198 . . . . 0.0 109.986 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 m -77.99 -24.69 47.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.419 1.075 . . . . 0.0 109.961 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.471 ' C ' HD12 ' A' ' 66' ' ' LEU . 0.3 OUTLIER -73.05 -75.88 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.352 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.1 t -42.31 -34.61 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.44 ' HB2' ' O ' ' A' ' 64' ' ' SER . . . -61.69 -49.18 77.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 66' ' ' LEU . 2.4 m -58.47 -54.62 45.02 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 42.7 mt -52.51 -46.51 66.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.566 1.166 . . . . 0.0 109.337 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.79 ' CE1' ' HB3' ' A' ' 120' ' ' ALA . 8.0 t-80 -57.55 -41.83 81.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 109.614 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.66 -16.49 63.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.619 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 10.3 tp60 -80.29 -72.61 0.4 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.764 ' OE1' ' HB3' ' A' ' 123' ' ' ALA . 0.9 OUTLIER -47.26 -31.88 4.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.567 1.167 . . . . 0.0 110.279 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.821 HD13 HG12 ' A' ' 79' ' ' ILE . 1.6 tm? -74.16 -45.4 48.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.355 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.36 -43.38 23.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.155 . . . . 0.0 109.367 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.9 t -68.52 -39.96 80.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.995 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.631 HD23 ' CG ' ' A' ' 116' ' ' LEU . 0.7 OUTLIER -61.62 -39.59 91.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.821 HG12 HD13 ' A' ' 75' ' ' LEU . 42.5 mm -58.26 -59.65 3.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.456 1.098 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.0 t -49.91 -30.25 9.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.933 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -63.41 -39.98 95.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.421 1.075 . . . . 0.0 110.304 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.902 ' HB1' HG12 ' A' ' 87' ' ' ILE . . . -65.74 -59.62 3.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 0.0 109.357 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.567 ' HG2' ' CE2' ' A' ' 90' ' ' TYR . 6.2 mt-10 -54.39 -40.26 68.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.353 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.3 m -64.66 -48.28 75.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.358 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.25 -0.09 21.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 71.52 91.47 0.09 OUTLIER Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.572 1.17 . . . . 0.0 110.98 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.902 HG12 ' HB1' ' A' ' 82' ' ' ALA . 66.6 mt -53.71 167.74 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.588 0.816 . . . . 0.0 109.356 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.545 ' N ' HG22 ' A' ' 87' ' ' ILE . 14.7 t -88.09 -49.3 7.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 110.423 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.456 ' O ' HD12 ' A' ' 109' ' ' LEU . . . -124.19 68.16 0.49 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.601 1.188 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.63 ' CG ' HD12 ' A' ' 87' ' ' ILE . 54.3 t80 -127.93 135.74 50.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 0.726 . . . . 0.0 110.948 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.786 ' CG ' HD12 ' A' ' 93' ' ' LEU . 5.0 t-20 -110.35 100.54 45.0 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -15.28 20.78 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.415 1.745 . . . . 0.0 110.966 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.96 HD13 ' N ' ' A' ' 94' ' ' ALA . 0.0 OUTLIER -65.91 -34.83 79.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.96 ' N ' HD13 ' A' ' 93' ' ' LEU . . . -67.5 -61.77 1.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.086 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.536 ' N ' ' CD ' ' A' ' 96' ' ' PRO . . . 123.87 -49.07 0.92 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.526 1.141 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 95' ' ' GLY . 17.9 Cg_endo -75.09 165.8 30.42 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.583 1.833 . . . . 0.0 110.943 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.69 HD21 HD12 ' A' ' 79' ' ' ILE . 14.2 tp -120.14 -55.64 2.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -51.31 -34.07 31.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.166 . . . . 0.0 110.3 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 60.5 t -60.16 -45.69 95.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.495 ' OE1' ' CD1' ' A' ' 90' ' ' TYR . 29.0 mt-30 -66.26 -20.33 66.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.301 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -103.98 16.33 26.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -107.67 -20.67 13.15 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.575 1.172 . . . . 0.0 109.331 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.406 ' ND2' ' HB2' ' A' ' 105' ' ' GLN . 46.9 p-10 -99.26 138.42 20.54 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.383 1.052 . . . . 0.0 109.299 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 0.25 9.09 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.407 1.741 . . . . 0.0 111.027 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.406 ' HB2' ' ND2' ' A' ' 103' ' ' ASN . 7.3 mt-30 -61.87 -62.6 1.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -95.48 83.38 3.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.24 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -72.35 -4.22 28.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -65.83 -56.47 14.5 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.513 1.133 . . . . 0.0 111.045 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.456 HD12 ' O ' ' A' ' 89' ' ' GLY . 1.2 mt -71.11 -24.4 62.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 0.729 . . . . 0.0 109.345 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.43 ' HB3' ' NH1' ' A' ' 110' ' ' ARG . 13.0 mtp-105 -61.55 -52.67 63.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 110.334 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -65.6 -37.39 86.5 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.475 1.109 . . . . 0.0 110.279 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -63.28 -56.3 17.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.329 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.615 ' HA ' HD22 ' A' ' 116' ' ' LEU . 1.7 t80 -53.49 -35.39 60.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.412 ' OE1' ' HA ' ' A' ' 49' ' ' ASP . 23.9 mm-40 -58.98 -48.25 82.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -75.14 -54.63 6.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.326 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.661 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 0.0 OUTLIER -47.89 -42.37 26.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 1.021 ' CG ' HD13 ' A' ' 55' ' ' LEU . 75.0 t90 -62.41 -66.59 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 108.03 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.731 ' CD2' HG22 ' A' ' 41' ' ' ILE . 93.2 mt -41.47 -35.25 0.66 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.661 ' HB3' ' O ' ' A' ' 116' ' ' LEU . . . -55.68 -52.07 65.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.79 ' HB3' ' CE1' ' A' ' 71' ' ' HIS . . . -59.81 -34.96 73.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.502 ' CE2' ' CH2' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -75.97 -12.62 60.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 111.053 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -111.27 3.64 18.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.764 ' HB3' ' OE1' ' A' ' 74' ' ' GLN . . . -97.64 -4.21 37.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 79.2 mt -68.98 148.98 97.95 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.399 1.062 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -9.99 20.89 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.493 1.786 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -102.58 -33.73 4.37 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 5.8 t -72.95 62.24 0.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 0.774 . . . . 0.0 110.035 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -172.59 -177.21 1.67 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.6 -174.42 2.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.128 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -131.08 152.41 80.61 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 126.63 10.08 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.481 1.78 . . . . 0.0 110.976 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.25 -28.18 59.75 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.766 ' HA ' HD12 ' A' ' 136' ' ' ILE . 23.2 p-90 -67.66 -13.77 62.37 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.93 -10.56 50.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.4 27.25 4.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.979 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.766 HD12 ' HA ' ' A' ' 133' ' ' TRP . 96.7 mt -113.52 116.38 52.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.589 HD23 ' OD1' ' A' ' 176' ' ' ASN . 0.1 OUTLIER -134.8 156.34 49.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.309 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.468 ' CG ' ' HA ' ' A' ' 144' ' ' TYR . 0.0 OUTLIER -71.31 116.09 11.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.436 1.085 . . . . 0.0 110.244 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . 0.455 ' O ' ' NE2' ' A' ' 138' ' ' GLN . . . -66.1 155.24 51.01 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.557 1.16 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.526 HD21 ' HB2' ' A' ' 180' ' ' GLU . 1.4 tm? -60.51 -40.34 91.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 0.78 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -111.82 40.42 2.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 110.342 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -114.58 154.92 46.62 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.306 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . 0.528 ' HB2' ' HB3' ' A' ' 146' ' ' ALA . 18.2 Cg_endo -74.99 84.35 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.504 1.791 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . 1.043 ' O ' HG23 ' A' ' 148' ' ' VAL . 45.7 t80 -38.13 -49.63 1.34 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.961 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . 0.44 ' CD2' ' C ' ' A' ' 145' ' ' HIS . 0.9 OUTLIER -56.42 -61.02 2.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.562 -179.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.528 ' HB3' ' HB2' ' A' ' 143' ' ' PRO . . . -54.69 -45.24 73.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . 0.497 ' CZ ' ' C ' ' A' ' 137' ' ' LEU . 77.4 t80 -55.03 -47.14 75.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 111.027 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 1.043 HG23 ' O ' ' A' ' 144' ' ' TYR . 67.6 t -51.14 -41.44 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.338 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . 0.566 ' O ' HD12 ' A' ' 153' ' ' ILE . 2.2 tp10 -64.29 -61.97 1.9 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 110.252 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -50.66 -31.46 16.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.308 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.668 ' O ' HD12 ' A' ' 155' ' ' LEU . 0.5 OUTLIER -63.48 -41.04 98.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -63.41 -49.44 73.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.566 HD12 ' O ' ' A' ' 149' ' ' GLU . 4.0 mp -62.15 -67.8 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.544 1.152 . . . . 0.0 109.345 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -41.48 -29.65 0.17 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.133 . . . . 0.0 109.299 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 0.681 HD21 ' CD1' ' A' ' 172' ' ' LEU . 2.8 mt -71.17 -61.76 1.65 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -50.68 -22.58 2.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.577 1.173 . . . . 0.0 109.299 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.03 -24.11 67.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -146.42 36.99 1.24 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.536 1.147 . . . . 0.0 111.034 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.64 HD12 ' HB2' ' A' ' 165' ' ' LYS . 0.5 OUTLIER -121.31 113.86 32.16 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.76 . . . . 0.0 109.328 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 156.52 43.28 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.425 1.75 . . . . 0.0 111.017 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -74.31 -1.7 21.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.108 . . . . 0.0 110.303 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -104.37 18.22 45.5 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.509 1.13 . . . . 0.0 111.031 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' THR . . . . . 0.571 HG23 ' HD2' ' A' ' 164' ' ' PRO . 1.4 m -142.86 142.19 21.76 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.526 0.78 . . . . 0.0 110.373 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' PRO . . . . . 0.571 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.2 Cg_endo -74.97 128.8 11.79 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.522 1.801 . . . . 0.0 111.037 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . 0.64 ' HB2' HD12 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -111.65 -26.36 9.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . 0.511 ' N ' ' CD ' ' A' ' 167' ' ' PRO . 0.4 OUTLIER -50.91 -52.27 59.22 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 167' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 166' ' ' ASP . 18.1 Cg_endo -75.06 -38.15 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.559 1.82 . . . . 0.0 110.954 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -39.11 78.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . 0.413 ' CD1' ' HB3' ' A' ' 151' ' ' LEU . 13.1 tp -59.49 -64.98 0.75 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.425 1.078 . . . . 0.0 109.344 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 17.6 ptt85 -51.45 -21.07 2.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.408 1.068 . . . . 0.0 110.265 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . 0.503 ' O ' ' CB ' ' A' ' 175' ' ' SER . 0.2 OUTLIER -80.98 -38.18 28.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.971 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.681 ' CD1' HD21 ' A' ' 155' ' ' LEU . 10.5 mt -74.76 -24.21 58.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . 1.019 ' O ' ' HB2' ' A' ' 177' ' ' ALA . . . -79.97 -44.75 19.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.567 1.167 . . . . 0.0 109.32 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 174' ' ' TYR . . . . . 0.446 ' O ' ' N ' ' A' ' 176' ' ' ASN . 6.6 t80 -95.32 -73.57 0.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.971 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 171' ' ' SER . 0.2 OUTLIER -38.4 -30.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.063 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . 0.589 ' OD1' HD23 ' A' ' 137' ' ' LEU . 4.2 m-80 -122.94 59.82 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . 1.019 ' HB2' ' O ' ' A' ' 173' ' ' ALA . . . -125.24 148.34 48.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.344 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 140' ' ' LEU . 0.7 OUTLIER -51.84 -177.25 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -73.61 -59.41 2.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.352 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . 0.526 ' HB2' HD21 ' A' ' 140' ' ' LEU . 0.7 OUTLIER -52.0 -36.21 49.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 110.213 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 181' ' ' CYS . . . . . 0.451 ' SG ' ' CD2' ' A' ' 144' ' ' TYR . 45.2 t -67.4 -65.13 0.73 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 0.0 108.249 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.88 -42.05 25.85 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.47 1.106 . . . . 0.0 110.255 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 15.5 ttpp -61.76 -34.73 76.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.451 1.094 . . . . 0.0 109.255 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.718 ' C ' HD23 ' A' ' 184' ' ' LEU . 2.5 tt -67.78 -60.76 2.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . 0.621 HD11 ' HE3' ' A' ' 198' ' ' MET . 4.7 mt -49.41 -52.35 29.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . 0.493 ' OE1' HG21 ' A' ' 191' ' ' THR . 1.8 mm100 -58.97 -52.57 65.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.332 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -55.87 -25.18 41.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . 0.463 ' HD3' ' CB ' ' A' ' 201' ' ' ALA . 0.0 OUTLIER -80.58 -23.54 39.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.328 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 64.48 67.79 1.91 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.545 1.153 . . . . 0.0 110.928 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . 0.621 ' CG ' ' O ' ' A' ' 190' ' ' HIS . 0.2 OUTLIER -171.09 37.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 0.773 . . . . 0.0 109.57 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . 0.493 HG21 ' OE1' ' A' ' 186' ' ' GLN . 1.1 p -63.71 -47.69 80.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.354 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -82.59 59.64 4.79 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 193' ' ' SER . . . . . 0.548 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER -134.97 -179.34 1.05 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.991 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . 0.548 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.6 Cg_endo -74.94 176.44 9.89 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.473 1.775 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . 0.662 HD21 ' CG1' ' A' ' 148' ' ' VAL . 6.1 tp -72.86 -50.36 24.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 109.35 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -42.9 -45.96 6.01 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.465 1.103 . . . . 0.0 111.074 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -67.09 -35.9 80.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 0.768 . . . . 0.0 109.271 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 198' ' ' MET . . . . . 0.621 ' HE3' HD11 ' A' ' 185' ' ' LEU . 5.5 mmm -65.54 -23.03 66.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 199' ' ' LEU . . . . . 0.611 HD21 HG11 ' A' ' 148' ' ' VAL . 2.5 mm? -85.62 -22.87 27.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 200' ' ' ARG . . . . . 0.415 ' O ' ' CD ' ' A' ' 203' ' ' GLN . 5.8 ttm180 -86.16 -11.65 51.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.412 1.07 . . . . 0.0 110.311 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ALA . . . . . 0.463 ' CB ' ' HD3' ' A' ' 188' ' ' ARG . . . -96.72 -35.57 10.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.345 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 202' ' ' CYS . . . . . 0.596 ' CB ' ' CD1' ' A' ' 144' ' ' TYR . 2.0 m -87.04 -12.55 46.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 108.309 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 203' ' ' GLN . . . . . 0.457 ' HG3' ' N ' ' A' ' 204' ' ' THR . 13.9 pt20 -45.35 -50.25 12.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 204' ' ' THR . . . . . 0.457 ' N ' ' HG3' ' A' ' 203' ' ' GLN . 0.0 OUTLIER -66.86 -23.98 66.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.429 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 205' ' ' TRP . . . . . 0.577 ' CD1' HD12 ' A' ' 184' ' ' LEU . 0.6 OUTLIER -70.85 61.13 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 108.04 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 206' ' ' THR . . . . . 0.417 ' N ' ' O ' ' A' ' 204' ' ' THR . 69.7 p -147.73 88.48 5.61 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 110.364 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 153.8 42.38 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.518 1.799 . . . . 0.0 111.032 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 208' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.76 -44.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -132.75 164.22 27.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 109.341 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.09 164.34 18.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 62.0 p -64.4 173.32 2.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.352 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 32.0 tttp -128.44 161.06 30.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.38 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 213' ' ' VAL . . . . . . . . . . . . . 25.5 t -141.61 148.43 20.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 214' ' ' LEU . . . . . . . . . . . . . 5.3 mt . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 -179.967 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 11.8 p80 -133.71 174.95 9.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.138 . . . . 0.0 109.592 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -138.35 169.66 17.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.128 . . . . 0.0 109.558 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -141.15 175.02 9.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.074 . . . . 0.0 109.594 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -152.96 174.9 13.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.611 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.1 p -157.8 163.2 38.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.969 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.3 159.64 44.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.118 . . . . 0.0 110.029 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.15 -151.39 10.45 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.475 1.11 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -176.31 159.2 1.98 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 0.733 . . . . 0.0 109.657 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.83 172.03 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -164.16 169.81 17.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.245 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -83.91 -99.66 0.59 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.134 . . . . 0.0 111.07 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -175.75 80.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 0.786 . . . . 0.0 110.284 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -170.25 71.7 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 0.0 109.563 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.579 ' HG2' ' CE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER 52.66 101.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.08 . . . . 0.0 110.942 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -84.17 161.51 20.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -66.12 -46.73 76.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.098 . . . . 0.0 111.032 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 19' ' ' ASP . 5.3 pttt -50.25 -47.37 55.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.582 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -58.53 -48.57 80.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.573 1.171 . . . . 0.0 109.339 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.797 ' HA ' HD12 ' A' ' 23' ' ' ILE . 1.9 mt -61.71 -34.65 76.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.65 -52.57 60.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.345 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.83 -33.15 48.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.797 HD12 ' HA ' ' A' ' 20' ' ' LEU . 67.6 mt -65.6 -46.31 89.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.6 tttm -49.94 -33.21 16.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.5 -71.65 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.56 ' CD ' HG23 ' A' ' 40' ' ' THR . 10.0 pt-20 -45.15 -30.2 1.1 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 110.256 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.616 HG13 ' HD2' ' A' ' 37' ' ' PHE . 38.7 t -73.07 -54.02 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -45.75 -36.38 5.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.086 . . . . 0.0 110.006 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.17 -36.81 84.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 110.313 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 27' ' ' VAL . . . -43.85 165.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.647 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -110.34 169.81 5.97 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.58 1.175 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.647 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.3 Cg_endo -75.0 115.22 4.22 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.484 1.781 . . . . 0.0 110.976 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 61.29 53.11 47.11 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.421 1.075 . . . . 0.0 111.021 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.99 158.8 74.16 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.533 0.784 . . . . 0.0 109.972 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.12 49.29 2.25 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.488 1.783 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -121.62 -59.24 1.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.616 ' HD2' HG13 ' A' ' 27' ' ' VAL . 11.5 t80 -59.61 -58.64 7.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.626 ' CE ' HD22 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -52.08 -49.61 63.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 111.001 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -50.29 -40.05 47.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.283 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.56 HG23 ' CD ' ' A' ' 26' ' ' GLU . 63.3 m -64.22 -29.59 70.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.423 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.62 HG22 HD21 ' A' ' 118' ' ' LEU . 3.8 mm -74.54 -40.03 48.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.445 1.091 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.607 ' HD2' HD13 ' A' ' 118' ' ' LEU . 1.8 mmm180 -66.59 -57.51 7.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 110.297 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.49 -29.29 24.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -84.11 -25.56 29.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.429 1.08 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.573 HG11 HD11 ' A' ' 118' ' ' LEU . 0.4 OUTLIER -73.52 -17.57 17.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -111.82 -64.46 1.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.309 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -44.85 -34.62 2.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.338 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.582 ' CE2' ' HB3' ' A' ' 19' ' ' ASP . 0.1 OUTLIER -101.79 -44.18 5.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.969 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.423 ' N ' ' HD3' ' A' ' 50' ' ' PRO . 2.7 t70 67.64 63.83 0.7 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.339 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.462 ' CD ' ' HA ' ' A' ' 45' ' ' VAL . 18.4 Cg_endo -75.01 163.08 36.02 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.562 1.822 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.5 p -113.66 -173.92 2.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.41 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.19 -37.35 54.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -68.66 -70.37 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 0.0 109.324 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -42.39 -31.48 0.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.985 HD13 ' CG ' ' A' ' 117' ' ' TRP . 20.0 mt -75.51 -48.09 24.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 53' ' ' LYS . 15.3 tp60 -49.02 -50.1 37.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 110.303 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.45 ' C ' ' N ' ' A' ' 59' ' ' LEU . 4.2 t70 -70.02 -63.3 1.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.561 HD13 HD23 ' A' ' 20' ' ' LEU . 29.0 tp -39.61 -29.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.45 ' N ' ' C ' ' A' ' 57' ' ' ASP . 20.5 tp -71.78 -55.28 7.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 57' ' ' ASP . 0.1 OUTLIER -87.78 23.55 1.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.306 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.402 ' OH ' ' O ' ' A' ' 20' ' ' LEU . 4.3 t80 -121.25 -38.84 2.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 111.033 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.462 ' HA ' HD23 ' A' ' 62' ' ' LEU . 1.3 mt -92.91 -59.34 2.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 68.5 m -81.1 -175.56 5.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 0.0 108.388 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.11 162.79 13.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 110.042 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.423 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 16.0 p -50.55 -41.69 54.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.002 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.7 tp -55.84 -66.18 0.47 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.53 HG13 ' CD1' ' A' ' 124' ' ' LEU . 2.8 t -45.76 -42.37 3.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 65' ' ' SER . . . -56.85 -51.88 67.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 68.5 p -57.39 -54.22 49.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 109.971 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 62.5 mt -50.69 -52.58 38.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.436 ' CD2' ' C ' ' A' ' 71' ' ' HIS . 0.2 OUTLIER -55.95 -43.91 77.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.625 179.926 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -54.91 -23.51 19.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.652 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -82.21 -71.84 0.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.275 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.668 ' OE1' ' HB3' ' A' ' 123' ' ' ALA . 1.7 pt20 -47.11 -33.05 4.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.583 1.177 . . . . 0.0 110.27 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.726 HD23 ' HB2' ' A' ' 120' ' ' ALA . 1.3 tm? -74.42 -48.15 29.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.347 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.8 -49.26 20.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.59 -44.4 96.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.954 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.533 HD23 ' CG ' ' A' ' 116' ' ' LEU . 0.4 OUTLIER -53.91 -48.71 69.88 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.506 HD12 ' CD2' ' A' ' 97' ' ' LEU . 11.0 mm -50.5 -51.46 18.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.428 1.08 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.56 -28.9 34.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.002 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -64.92 -40.31 94.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.436 ' O ' ' CG1' ' A' ' 87' ' ' ILE . . . -66.53 -57.66 6.83 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -56.42 -36.89 69.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.276 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.3 m -60.16 -45.1 94.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.42 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -72.02 -5.02 32.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.322 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 87' ' ' ILE . . . 86.52 -18.08 35.74 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.453 1.096 . . . . 0.0 111.004 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.652 HD12 ' CG ' ' A' ' 90' ' ' TYR . 13.6 mt 60.91 146.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 0.0 109.345 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.497 HG23 ' N ' ' A' ' 89' ' ' GLY . 3.1 t -45.5 -55.05 6.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.393 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.497 ' N ' HG23 ' A' ' 88' ' ' THR . . . -155.35 61.61 0.36 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.552 1.158 . . . . 0.0 110.961 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.652 ' CG ' HD12 ' A' ' 87' ' ' ILE . 23.9 t80 -78.45 156.25 29.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 0.796 . . . . 0.0 110.955 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -112.03 121.46 39.43 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -31.4 6.3 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.495 1.787 . . . . 0.0 111.07 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 1.0 ' O ' HD22 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -60.59 -21.55 62.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 109.323 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.824 ' N ' HD13 ' A' ' 93' ' ' LEU . . . -97.92 54.21 1.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.493 ' C ' ' O ' ' A' ' 94' ' ' ALA . . . -28.61 -57.03 0.15 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.47 1.106 . . . . 0.0 110.951 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.401 ' CD ' ' N ' ' A' ' 95' ' ' GLY . 18.5 Cg_endo -74.92 81.95 2.09 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.515 1.797 . . . . 0.0 111.069 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.506 ' CD2' HD12 ' A' ' 79' ' ' ILE . 0.8 OUTLIER -48.61 -30.37 5.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.257 -179.926 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.443 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 21.3 ptt180 -58.14 -15.67 10.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 47.7 t -92.04 -59.56 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.274 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.535 ' OE1' HD13 ' A' ' 109' ' ' LEU . 3.5 pt20 -56.63 -17.93 10.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.098 . . . . 0.0 110.306 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.56 -43.35 66.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 98' ' ' ARG . 18.6 p30 -92.79 30.44 1.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -99.21 130.54 26.99 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 0.0 109.272 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 49.06 2.16 Favored 'Trans proline' 0 C--N 1.361 1.231 0 O-C-N 124.408 1.741 . . . . 0.0 111.019 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -137.34 -66.16 0.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.266 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.409 ' NE2' ' HG3' ' A' ' 100' ' ' GLN . 0.0 OUTLIER -80.03 113.82 18.49 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.409 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 8.9 tm0? -99.8 -25.0 14.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 110.342 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -69.29 -52.4 22.56 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.47 1.106 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.535 HD13 ' OE1' ' A' ' 100' ' ' GLN . 0.8 OUTLIER -66.1 -57.97 6.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 0.761 . . . . 0.0 109.298 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.495 ' C ' ' CD ' ' A' ' 110' ' ' ARG . 0.0 OUTLIER -41.1 -33.85 0.38 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.461 ' N ' ' HG3' ' A' ' 110' ' ' ARG . 0.0 OUTLIER -70.04 -46.75 64.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 110.263 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 109' ' ' LEU . 26.9 mm-40 -56.43 -45.76 80.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 110.241 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.552 ' HA ' HD22 ' A' ' 116' ' ' LEU . 10.9 t80 -57.52 -42.78 83.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 111.027 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -52.48 -51.79 57.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 110.356 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.65 -57.0 5.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 110.292 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.557 HD21 HD11 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -43.54 -35.21 1.6 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.477 1.11 . . . . 0.0 109.326 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.985 ' CG ' HD13 ' A' ' 55' ' ' LEU . 92.2 t90 -67.04 -53.65 29.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 108.011 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.626 HD22 ' CE ' ' A' ' 38' ' ' MET . 50.8 mt -53.81 -32.23 51.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' A' ' 116' ' ' LEU . . . -59.94 -52.09 66.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.726 ' HB2' HD23 ' A' ' 75' ' ' LEU . . . -59.2 -35.18 73.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.233 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -70.41 -33.98 71.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -91.6 3.12 55.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.585 1.178 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.668 ' HB3' ' OE1' ' A' ' 74' ' ' GLN . . . -97.98 4.48 49.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.53 ' CD1' HG13 ' A' ' 67' ' ' VAL . 36.3 mt -82.11 156.62 69.3 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 55.97 4.14 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.57 1.826 . . . . 0.0 110.952 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 131.48 -53.17 0.81 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.543 1.152 . . . . 0.0 110.986 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.573 ' O ' ' HB2' ' A' ' 128' ' ' ALA . 0.3 OUTLIER 57.29 82.63 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 0.763 . . . . 0.0 110.013 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.573 ' HB2' ' O ' ' A' ' 127' ' ' SER . . . 169.73 176.03 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 22.1 pttt -161.51 145.55 12.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -166.34 129.71 1.55 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.22 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 100.69 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.471 1.774 . . . . 0.0 110.968 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.9 -10.46 59.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 110.022 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.872 ' HA ' HD12 ' A' ' 136' ' ' ILE . 41.8 p-90 -74.97 -25.18 58.67 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.99 -14.1 32.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.414 1.071 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 7.2 m -122.34 28.39 7.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.003 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.872 HD12 ' HA ' ' A' ' 133' ' ' TRP . 10.0 mt -116.14 119.35 61.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.591 ' O ' ' CZ ' ' A' ' 147' ' ' PHE . 0.3 OUTLIER -136.11 147.76 47.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.468 ' CG ' ' HA ' ' A' ' 144' ' ' TYR . 0.0 OUTLIER -77.13 117.8 19.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.313 179.934 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . 0.441 ' O ' ' NE2' ' A' ' 138' ' ' GLN . . . -67.76 147.91 48.79 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.547 1.154 . . . . 0.0 110.986 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.521 HD21 ' HB2' ' A' ' 180' ' ' GLU . 1.9 tm? -55.67 -34.89 65.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 0.762 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -118.15 43.66 2.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -124.52 161.67 46.85 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.441 1.088 . . . . 0.0 110.337 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . 0.719 ' HB2' ' HB3' ' A' ' 146' ' ' ALA . 18.1 Cg_endo -75.04 104.99 2.0 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.441 1.758 . . . . 0.0 110.946 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . 0.468 ' HA ' ' CG ' ' A' ' 138' ' ' GLN . 27.0 t80 -60.64 -60.43 3.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.15 . . . . 0.0 110.975 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -47.38 -50.52 22.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.536 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.719 ' HB3' ' HB2' ' A' ' 143' ' ' PRO . . . -61.0 -27.87 68.63 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . 0.591 ' CZ ' ' O ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -76.16 -41.73 48.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 0.0 111.002 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.797 HG11 HD21 ' A' ' 199' ' ' LEU . 57.7 t -58.94 -47.13 90.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . 0.615 ' O ' HD12 ' A' ' 153' ' ' ILE . 1.2 tt0 -58.3 -53.52 57.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.368 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 1.3 mtm180 -59.07 -35.52 73.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.317 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.674 ' O ' HD12 ' A' ' 155' ' ' LEU . 0.9 OUTLIER -58.86 -40.49 84.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.575 1.172 . . . . 0.0 109.291 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . 0.403 ' HA ' ' CE ' ' A' ' 165' ' ' LYS . 27.0 t-20 -64.02 -45.53 88.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.615 HD12 ' O ' ' A' ' 149' ' ' GLU . 1.8 mp -63.24 -67.62 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.49 1.119 . . . . 0.0 109.255 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -41.31 -30.74 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 0.769 HD11 ' CD1' ' A' ' 172' ' ' LEU . 3.6 mt -76.29 -50.15 15.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 153' ' ' ILE . 20.8 t70 -52.15 -21.48 3.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -92.29 -25.23 18.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.221 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 155' ' ' LEU . . . -134.56 53.42 0.78 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.496 1.123 . . . . 0.0 110.964 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.591 HD11 HG22 ' A' ' 163' ' ' THR . 0.2 OUTLIER -166.15 101.96 0.71 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.517 0.775 . . . . 0.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 167.48 26.94 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.454 1.765 . . . . 0.0 110.985 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 163' ' ' THR . 1.7 mt-10 -65.03 -55.36 19.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 110.346 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -38.03 -30.04 0.07 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.524 1.14 . . . . 0.0 110.991 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' THR . . . . . 0.591 HG22 HD11 ' A' ' 159' ' ' LEU . 1.2 m -100.02 142.49 24.71 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.469 0.747 . . . . 0.0 110.386 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' PRO . . . . . 0.571 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.2 Cg_endo -75.02 138.73 23.36 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.54 1.811 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . 0.596 ' HE2' HD13 ' A' ' 169' ' ' LEU . 0.0 OUTLIER -119.44 -41.1 2.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . 0.535 ' CB ' ' HD3' ' A' ' 167' ' ' PRO . 0.1 OUTLIER -38.65 -54.47 2.97 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 167' ' ' PRO . . . . . 0.535 ' HD3' ' CB ' ' A' ' 166' ' ' ASP . 18.4 Cg_endo -74.99 -47.39 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.489 1.784 . . . . 0.0 110.98 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . 0.43 ' CD1' HD21 ' A' ' 159' ' ' LEU . 0.0 OUTLIER -46.67 -29.15 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.572 1.17 . . . . 0.0 109.274 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . 0.799 HD23 HD22 ' A' ' 195' ' ' LEU . 4.0 tp -65.64 -63.28 1.13 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.512 1.133 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . 0.47 ' O ' ' CB ' ' A' ' 174' ' ' TYR . 0.9 OUTLIER -52.31 -34.88 48.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 110.279 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.05 -18.55 61.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 110.038 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.769 ' CD1' HD11 ' A' ' 155' ' ' LEU . 33.3 mt -91.95 -46.48 7.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.359 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -71.66 -6.34 40.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.08 . . . . 0.0 109.283 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 174' ' ' TYR . . . . . 0.47 ' CB ' ' O ' ' A' ' 170' ' ' ARG . 52.8 t80 -107.57 -69.0 0.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.29 -57.26 12.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.054 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . 0.552 ' HA ' HD23 ' A' ' 137' ' ' LEU . 94.3 m-20 -83.84 54.86 3.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 174' ' ' TYR . . . -135.7 140.3 44.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.561 1.163 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . 0.509 ' OD1' HD23 ' A' ' 140' ' ' LEU . 0.5 OUTLIER -51.57 -177.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.84 -65.09 0.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.254 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . 0.521 ' HB2' HD21 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -45.31 -33.79 2.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 181' ' ' CYS . . . . . . . . . . . . . 7.2 m -64.8 -69.8 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 108.315 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . 0.439 ' O ' ' NE2' ' A' ' 186' ' ' GLN . 0.6 OUTLIER -49.91 -40.49 43.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 110.27 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.27 -34.37 77.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.542 ' C ' HD23 ' A' ' 184' ' ' LEU . 2.1 tt -64.43 -58.44 6.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . 0.553 HD23 ' NE2' ' A' ' 190' ' ' HIS . 8.6 mt -50.42 -53.32 30.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 182' ' ' GLN . 1.0 OUTLIER -55.66 -53.31 58.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 110.235 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -49.16 -50.14 39.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . 0.471 ' HG3' ' CD2' ' A' ' 184' ' ' LEU . 0.0 OUTLIER -58.13 -21.64 47.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.336 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 189' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 186' ' ' GLN . . . 75.38 30.25 58.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.425 1.078 . . . . 0.0 111.011 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . 0.564 ' CE1' ' HB3' ' A' ' 197' ' ' ASP . 0.4 OUTLIER -138.67 107.79 6.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.429 0.723 . . . . 0.0 109.653 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 3.2 p -120.06 -53.4 2.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.391 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -86.46 48.15 1.58 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 193' ' ' SER . . . . . 0.528 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER -117.12 179.57 0.79 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.98 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . 0.528 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.4 Cg_endo -74.93 153.8 42.37 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.467 1.772 . . . . 0.0 111.064 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . 0.852 HD12 ' SD ' ' A' ' 198' ' ' MET . 6.7 tp -52.74 -43.08 65.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -44.54 -39.63 5.93 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.514 1.134 . . . . 0.0 111.099 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . 0.564 ' HB3' ' CE1' ' A' ' 190' ' ' HIS . 0.3 OUTLIER -73.5 -36.28 65.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 0.727 . . . . 0.0 109.245 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 198' ' ' MET . . . . . 0.852 ' SD ' HD12 ' A' ' 195' ' ' LEU . 90.1 mtp -65.58 -32.55 74.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 199' ' ' LEU . . . . . 0.797 HD21 HG11 ' A' ' 148' ' ' VAL . 3.6 mm? -80.62 -21.63 41.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.343 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.28 -10.95 51.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 110.313 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ALA . . . . . 0.436 ' HB1' ' HG3' ' A' ' 188' ' ' ARG . . . -95.47 -37.91 10.69 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.413 1.071 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 202' ' ' CYS . . . . . 0.411 ' HG ' ' HD1' ' A' ' 144' ' ' TYR . 19.1 p -82.81 -21.13 34.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 108.288 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -39.14 -35.47 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.423 1.077 . . . . 0.0 110.247 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 204' ' ' THR . . . . . 0.463 HG23 ' N ' ' A' ' 205' ' ' TRP . 5.1 t -112.3 -51.42 2.84 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.378 1.049 . . . . 0.0 110.368 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 205' ' ' TRP . . . . . 0.573 ' O ' ' CD1' ' A' ' 205' ' ' TRP . 4.8 t90 44.56 59.85 3.14 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 206' ' ' THR . . . . . 0.438 HG23 ' OG1' ' A' ' 204' ' ' THR . 11.4 p -111.44 159.79 31.73 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.399 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 174.98 11.82 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.471 1.774 . . . . 0.0 111.035 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 208' ' ' LYS . . . . . . . . . . . . . 44.4 tttt -68.72 94.97 0.63 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . 28.0 t0 176.85 93.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.15 167.54 20.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 54.9 p -145.91 150.76 36.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 110.344 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.03 -62.64 1.57 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 213' ' ' VAL . . . . . . . . . . . . . 62.4 t -143.38 120.01 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 214' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' A' ' 214' ' ' LEU . 1.3 tm? . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.512 1.132 . . . . 0.0 109.245 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 12.6 p-80 . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -178.2 162.9 1.61 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.524 1.14 . . . . 0.0 109.589 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -179.46 163.66 1.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.087 . . . . 0.0 109.588 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.7 t60 179.67 160.04 0.78 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.436 1.085 . . . . 0.0 109.577 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -178.49 164.73 1.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.608 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 p 174.91 158.15 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 110.003 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 92.4 p -178.82 172.08 1.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.943 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 141.26 143.82 4.32 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.461 1.101 . . . . 0.0 110.954 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 25.8 t60 -175.37 157.33 2.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 0.761 . . . . 0.0 109.567 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.0 tt -173.8 154.59 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.414 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -174.77 -179.01 1.37 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.111 . . . . 0.0 110.331 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 138.87 134.96 3.24 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.62 152.78 14.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 0.723 . . . . 0.0 110.305 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -167.86 63.37 0.07 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.463 1.102 . . . . 0.0 109.636 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.577 ' HG2' ' CE1' ' A' ' 48' ' ' PHE . 0.0 OUTLIER 57.86 162.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 110.957 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -177.8 148.55 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.57 1.168 . . . . 0.0 110.264 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.7 tpt -52.23 -25.76 10.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.9 pttt -80.02 -36.38 35.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -63.56 -43.49 96.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.69 HD21 ' HB2' ' A' ' 58' ' ' LEU . 24.8 mt -63.4 -44.47 94.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.73 -46.58 77.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.261 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.93 -50.28 71.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.37 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.636 ' O ' HG23 ' A' ' 27' ' ' VAL . 35.2 mt -49.75 -44.55 20.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -58.63 -32.33 68.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -74.16 -65.62 0.82 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 110.299 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.721 ' OE1' HG23 ' A' ' 40' ' ' THR . 4.2 pt-20 -52.72 -20.35 3.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.454 1.096 . . . . 0.0 110.264 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 23' ' ' ILE . 39.1 t -87.56 -49.49 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.6 m -48.79 -28.78 3.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.997 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.43 -31.98 48.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 110.272 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 27' ' ' VAL . . . -46.17 167.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.595 ' HB3' ' HB2' ' A' ' 34' ' ' SER . . . -101.64 163.81 17.11 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.356 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.489 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.4 Cg_endo -74.97 122.59 7.31 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.484 1.781 . . . . 0.0 111.027 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 55.6 41.64 82.38 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.533 1.146 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.595 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 3.1 m -123.85 157.06 64.38 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.524 0.779 . . . . 0.0 109.983 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 50.08 2.43 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.507 1.793 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -121.43 -49.19 2.16 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 110.267 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.616 ' CE1' HD11 ' A' ' 41' ' ' ILE . 1.5 t80 -66.77 -64.37 0.87 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 111.03 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.524 ' CE ' HD22 ' A' ' 118' ' ' LEU . 8.1 tpt -46.0 -39.82 9.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -58.7 -47.61 83.95 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.515 1.135 . . . . 0.0 110.272 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.721 HG23 ' OE1' ' A' ' 26' ' ' GLU . 1.5 m -57.82 -24.87 59.39 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.463 1.102 . . . . 0.0 110.32 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.733 HG22 HD21 ' A' ' 118' ' ' LEU . 6.9 mm -72.75 -56.22 10.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.085 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.19 -31.51 53.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.445 1.091 . . . . 0.0 110.265 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.574 HD12 HE22 ' A' ' 47' ' ' GLN . 0.0 OUTLIER -64.9 -51.62 60.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.09 -37.57 87.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.253 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.53 HG22 ' HD2' ' A' ' 50' ' ' PRO . 1.3 t -66.18 -26.96 39.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -90.08 -15.04 32.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 110.3 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.574 HE22 HD12 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -74.99 -71.23 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.233 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.577 ' CE1' ' HG2' ' A' ' 15' ' ' MET . 0.5 OUTLIER -116.01 -26.05 7.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.976 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.405 ' OD2' ' NE2' ' A' ' 114' ' ' GLN . 1.0 OUTLIER 74.37 96.66 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 0.0 109.334 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.53 ' HD2' HG22 ' A' ' 45' ' ' VAL . 18.3 Cg_endo -74.97 142.34 27.83 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.44 1.758 . . . . 0.0 111.022 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 63.7 p -79.25 -168.2 1.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.395 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.59 -31.62 72.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.281 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -70.95 -72.43 0.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.309 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -41.5 -36.48 0.89 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 109.259 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 1.072 HD13 ' CG ' ' A' ' 117' ' ' TRP . 12.4 mt -65.95 -51.04 62.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 53' ' ' LYS . 3.5 tp60 -51.48 -49.16 62.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.01 -62.19 1.56 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.69 ' HB2' HD21 ' A' ' 20' ' ' LEU . 12.8 tp -40.84 -38.9 1.01 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.591 1.182 . . . . 0.0 109.366 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.435 HD12 ' HE1' ' A' ' 121' ' ' PHE . 18.0 tp -57.95 -57.84 11.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.8 3.27 12.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.264 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.524 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 28.9 t80 -95.52 -18.59 20.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 75.1 mt -114.3 -69.14 0.88 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.339 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 9.1 p -70.04 -168.43 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 108.286 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.7 t -107.07 -164.31 0.97 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.964 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.2 m -77.24 -25.57 51.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.421 1.076 . . . . 0.0 109.9 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.3 tp -67.22 -70.47 0.25 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.2 t -50.32 -51.38 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -43.24 -39.66 3.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.279 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.9 m -74.92 -45.42 42.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.988 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 84.1 mt -52.89 -50.22 64.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.636 1.21 . . . . 0.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.685 ' CE1' ' HB3' ' A' ' 120' ' ' ALA . 0.6 OUTLIER -60.51 -40.56 91.87 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.479 1.112 . . . . 0.0 109.598 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -56.05 -24.85 42.23 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 0.0 109.524 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 76' ' ' ASP . 23.6 mt-30 -82.62 -72.45 0.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.329 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -45.53 -38.45 6.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.257 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.796 HD13 HD12 ' A' ' 79' ' ' ILE . 1.4 tm? -69.46 -37.44 77.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 73' ' ' GLN . 0.2 OUTLIER -57.37 -45.73 84.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.533 1.146 . . . . 0.0 109.336 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.54 -45.46 91.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.027 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.778 HD23 ' CG ' ' A' ' 116' ' ' LEU . 7.7 tp -51.26 -52.48 44.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 0.0 109.352 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.796 HD12 HD13 ' A' ' 75' ' ' LEU . 1.0 OUTLIER -62.54 -47.34 93.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.05 -35.47 1.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.007 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -75.84 -40.36 54.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.506 ' HB1' HG12 ' A' ' 87' ' ' ILE . . . -62.93 -64.38 0.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.58 -35.05 8.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.1 m -61.04 -40.34 93.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.416 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -81.65 -1.27 46.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 110.294 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.92 -7.96 61.43 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.6 1.187 . . . . 0.0 111.038 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.781 HG21 ' CD1' ' A' ' 109' ' ' LEU . 16.1 mt 55.56 169.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.447 0.734 . . . . 0.0 109.351 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.495 ' N ' HG22 ' A' ' 87' ' ' ILE . 61.5 p -46.08 -77.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 0.0 110.393 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.446 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -136.63 52.69 0.77 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.473 ' CG ' HD12 ' A' ' 87' ' ' ILE . 22.0 t80 -81.12 145.55 31.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 0.788 . . . . 0.0 111.028 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.655 ' ND2' HD12 ' A' ' 93' ' ' LEU . 0.5 OUTLIER -111.78 98.49 41.63 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -21.84 15.35 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.492 1.785 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.906 HD13 ' N ' ' A' ' 94' ' ' ALA . 0.0 OUTLIER -58.92 -35.22 72.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.145 . . . . 0.0 109.307 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.906 ' N ' HD13 ' A' ' 93' ' ' LEU . . . -61.27 -65.6 0.67 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.506 ' N ' ' CD ' ' A' ' 96' ' ' PRO . . . 128.39 -50.08 0.9 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.591 1.182 . . . . 0.0 110.986 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 95' ' ' GLY . 18.2 Cg_endo -75.08 154.39 42.09 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.492 1.785 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.771 HD21 HG12 ' A' ' 79' ' ' ILE . 13.2 tp -120.86 -38.82 2.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 23.2 ptt-85 -77.22 0.6 21.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 110.259 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.482 ' CG2' ' HB2' ' A' ' 96' ' ' PRO . 32.0 t -86.19 -72.99 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -58.57 -16.28 15.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.595 1.184 . . . . 0.0 110.342 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.94 -22.34 65.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.262 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -98.92 2.48 46.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 18.2 t30 -84.84 133.78 42.92 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.323 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -17.88 19.19 Favored 'Trans proline' 0 C--N 1.358 1.073 0 O-C-N 124.503 1.791 . . . . 0.0 110.962 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -58.4 -59.08 5.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.337 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -101.87 57.62 0.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.275 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -55.82 -20.08 13.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.592 1.183 . . . . 0.0 110.373 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -54.93 -50.55 58.18 Favored Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.448 1.093 . . . . 0.0 111.036 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.781 ' CD1' HG21 ' A' ' 87' ' ' ILE . 0.5 OUTLIER -73.07 -46.49 51.32 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.448 0.734 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -45.87 -38.95 7.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 110.353 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.84 -60.23 2.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.333 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.56 -24.03 0.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -79.11 -46.75 17.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.405 ' NE2' ' OD2' ' A' ' 49' ' ' ASP . 25.6 mt-30 -51.73 -48.96 63.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 110.251 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.66 -49.33 69.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.246 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.839 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 0.0 OUTLIER -51.88 -40.13 60.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 1.072 ' CG ' HD13 ' A' ' 55' ' ' LEU . 90.1 t90 -56.4 -63.59 1.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 108.006 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.733 HD21 HG22 ' A' ' 41' ' ' ILE . 47.4 mt -44.64 -29.74 0.8 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.839 ' HB3' ' O ' ' A' ' 116' ' ' LEU . . . -58.48 -57.65 12.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.093 . . . . 0.0 109.329 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.685 ' HB3' ' CE1' ' A' ' 71' ' ' HIS . . . -59.41 -41.89 90.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.435 ' HE1' HD12 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -62.44 -14.62 42.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 111.062 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -117.33 4.59 12.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.334 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -98.81 -3.66 35.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.355 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 94.1 mt -63.12 148.36 92.95 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -8.66 20.38 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.568 1.825 . . . . 0.0 111.049 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -129.26 41.42 1.55 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.467 1.105 . . . . 0.0 110.98 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.2 t -114.7 -48.59 2.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 0.738 . . . . 0.0 110.016 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -139.82 134.65 32.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 109.378 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.34 -177.16 4.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -129.55 151.65 78.34 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.368 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.547 ' HB3' ' CZ2' ' A' ' 133' ' ' TRP . 18.3 Cg_endo -75.04 115.93 4.43 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.51 1.795 . . . . 0.0 111.013 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.33 -18.36 60.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 109.985 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.747 ' HA ' HD12 ' A' ' 136' ' ' ILE . 15.3 p-90 -75.58 -17.69 59.97 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.548 1.155 . . . . 0.0 108.005 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.99 -10.0 44.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.19 25.01 6.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.994 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.747 HD12 ' HA ' ' A' ' 133' ' ' TRP . 42.8 mt -117.41 117.61 55.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.573 1.17 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.467 ' CB ' ' HB3' ' A' ' 176' ' ' ASN . 0.2 OUTLIER -137.52 161.69 35.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.933 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -91.38 123.39 34.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.324 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -67.97 160.6 50.29 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.463 1.102 . . . . 0.0 111.048 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -61.88 -36.41 81.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 0.785 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -114.17 41.5 2.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 110.218 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -125.91 160.31 57.3 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.266 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.88 124.76 8.92 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.579 1.831 . . . . 0.0 111.016 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . 0.937 ' O ' HG23 ' A' ' 148' ' ' VAL . 38.2 t80 -85.78 -41.39 15.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . 0.461 ' C ' ' CD2' ' A' ' 145' ' ' HIS . 0.6 OUTLIER -59.43 -55.46 34.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.595 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -61.9 -29.49 70.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . 0.677 ' CE1' HD12 ' A' ' 151' ' ' LEU . 3.5 t80 -71.52 -29.03 64.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.937 HG23 ' O ' ' A' ' 144' ' ' TYR . 94.9 t -70.86 -36.89 66.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -65.19 -55.96 15.59 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.513 1.133 . . . . 0.0 110.319 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.633 HH21 HG23 ' A' ' 136' ' ' ILE . 0.6 OUTLIER -59.59 -27.22 66.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.365 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.883 ' O ' HD12 ' A' ' 155' ' ' LEU . 1.2 mt -63.67 -41.63 98.16 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -66.58 -42.55 86.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.578 1.174 . . . . 0.0 109.267 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.42 ' C ' ' N ' ' A' ' 155' ' ' LEU . 5.7 mt -64.56 -68.53 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -43.02 -27.77 0.22 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 0.883 HD12 ' O ' ' A' ' 151' ' ' LEU . 1.0 OUTLIER -75.33 -52.87 9.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -52.16 -20.31 2.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 109.374 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -85.04 -24.16 28.29 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 155' ' ' LEU . . . -143.88 57.2 0.54 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.555 1.159 . . . . 0.0 110.967 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.831 HD21 ' CD1' ' A' ' 168' ' ' ILE . 0.2 OUTLIER -156.46 99.35 2.1 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.51 0.771 . . . . 0.0 109.317 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 168.57 24.55 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.501 1.79 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 163' ' ' THR . 0.0 OUTLIER -64.3 -54.81 27.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 161' ' ' GLU . . . -36.89 -31.78 0.05 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.534 1.146 . . . . 0.0 111.042 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' THR . . . . . 0.648 HG22 HD11 ' A' ' 159' ' ' LEU . 1.0 OUTLIER -100.0 142.52 24.77 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.578 0.81 . . . . 0.0 110.399 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' PRO . . . . . 0.527 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.2 Cg_endo -75.04 153.0 41.28 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.517 1.799 . . . . 0.0 110.956 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . 0.423 ' NZ ' ' HB3' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -120.28 -40.76 2.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . 0.541 ' CB ' ' HD3' ' A' ' 167' ' ' PRO . 0.2 OUTLIER -41.96 -54.85 6.75 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.336 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 167' ' ' PRO . . . . . 0.541 ' HD3' ' CB ' ' A' ' 166' ' ' ASP . 18.6 Cg_endo -74.91 -55.59 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.559 1.82 . . . . 0.0 111.072 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . 0.831 ' CD1' HD21 ' A' ' 159' ' ' LEU . 0.0 OUTLIER -39.71 -38.01 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . 0.515 HD23 HD22 ' A' ' 195' ' ' LEU . 5.4 tp -64.32 -64.72 0.81 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.629 1.206 . . . . 0.0 109.231 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . 0.495 ' O ' ' CB ' ' A' ' 174' ' ' TYR . 66.8 mtm180 -52.19 -36.16 51.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 0.0 110.298 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.77 -27.92 67.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.964 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.798 ' CD1' HD11 ' A' ' 155' ' ' LEU . 17.9 mt -84.48 -42.4 15.62 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . 0.646 ' O ' ' HB2' ' A' ' 177' ' ' ALA . . . -77.13 -1.29 28.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 174' ' ' TYR . . . . . 0.495 ' CB ' ' O ' ' A' ' 170' ' ' ARG . 52.3 t80 -106.91 -75.8 0.63 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.51 1.131 . . . . 0.0 111.027 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.66 -45.59 70.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.97 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . 0.467 ' HB3' ' CB ' ' A' ' 137' ' ' LEU . 3.4 m-20 -100.13 60.73 1.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.445 1.091 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . 0.646 ' HB2' ' O ' ' A' ' 173' ' ' ALA . . . -136.8 65.9 1.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . 0.538 ' C ' ' O ' ' A' ' 177' ' ' ALA . 10.2 p-10 29.88 -147.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.477 ' N ' ' CG ' ' A' ' 178' ' ' ASN . 0.2 OUTLIER -114.26 -57.03 2.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.429 1.081 . . . . 0.0 109.255 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . 0.486 ' N ' ' ND2' ' A' ' 178' ' ' ASN . 0.0 OUTLIER -41.79 -28.02 0.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.322 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 181' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 184' ' ' LEU . 14.5 t -86.93 -67.28 0.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 108.335 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . 0.429 ' O ' ' NE2' ' A' ' 186' ' ' GLN . 7.6 mt-30 -39.24 -32.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.15 -47.66 17.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.582 1.177 . . . . 0.0 109.347 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.705 HD23 ' O ' ' A' ' 184' ' ' LEU . 2.7 tt -58.67 -50.23 74.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . 0.579 HD21 ' SD ' ' A' ' 198' ' ' MET . 4.3 mt -51.87 -60.25 3.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . 0.429 ' NE2' ' O ' ' A' ' 182' ' ' GLN . 0.9 OUTLIER -53.28 -53.72 46.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.439 1.087 . . . . 0.0 110.31 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -53.6 -34.6 59.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.86 -31.6 71.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . 67.69 61.22 5.15 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.477 1.111 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . 0.556 ' NE2' HD23 ' A' ' 185' ' ' LEU . 0.9 OUTLIER -152.78 23.43 0.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 0.785 . . . . 0.0 109.571 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -53.14 -43.94 67.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 110.359 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -89.3 63.27 6.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 193' ' ' SER . . . . . 0.538 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER -146.11 179.85 1.09 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.038 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . 0.538 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.5 Cg_endo -75.03 175.25 11.5 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.477 1.777 . . . . 0.0 110.967 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . 0.515 HD22 HD23 ' A' ' 169' ' ' LEU . 6.0 tp -71.54 -40.96 69.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -42.92 -36.23 2.51 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.51 1.131 . . . . 0.0 110.959 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -78.96 -38.26 37.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.58 0.812 . . . . 0.0 109.354 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 198' ' ' MET . . . . . 0.579 ' SD ' HD21 ' A' ' 185' ' ' LEU . 67.8 mmm -51.65 -42.5 62.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 111.034 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 199' ' ' LEU . . . . . 0.639 HD21 HG11 ' A' ' 148' ' ' VAL . 2.6 mm? -80.25 -26.58 38.96 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.23 -7.43 57.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.261 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -100.69 -37.11 8.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.167 . . . . 0.0 109.352 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 202' ' ' CYS . . . . . . . . . . . . . 14.2 p -84.71 -14.25 48.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 108.34 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 203' ' ' GLN . . . . . 0.429 ' HG3' ' N ' ' A' ' 204' ' ' THR . 17.1 pt20 -49.41 -43.84 44.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 110.271 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 204' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 206' ' ' THR . 0.0 OUTLIER -77.0 -14.48 59.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 110.438 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 205' ' ' TRP . . . . . 0.476 ' HB2' ' CD1' ' A' ' 184' ' ' LEU . 8.6 t90 -71.22 60.79 0.29 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 107.973 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 206' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 204' ' ' THR . 22.0 p -124.95 158.47 62.85 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.454 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 56.56 4.32 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.405 1.739 . . . . 0.0 110.968 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 208' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.96 82.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.443 1.089 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -89.24 155.26 19.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 174.23 132.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 4.0 m 62.81 148.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.4 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -161.22 104.62 1.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.356 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 213' ' ' VAL . . . . . . . . . . . . . 7.9 p -154.52 156.9 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 214' ' ' LEU . . . . . 0.432 ' C ' HD23 ' A' ' 214' ' ' LEU . 7.2 tt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 21.8 p80 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.46 164.73 27.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.527 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -139.81 166.7 23.91 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.448 1.093 . . . . 0.0 109.562 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -148.76 159.69 43.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.588 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -128.44 152.82 47.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.589 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.0 p -169.67 138.03 1.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.985 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 95.2 p -166.77 161.04 15.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.039 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.534 ' O ' ' CG ' ' A' ' 9' ' ' HIS . . . 178.57 -79.48 0.06 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.534 ' CG ' ' O ' ' A' ' 8' ' ' GLY . 27.6 p80 49.45 62.24 2.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.414 0.714 . . . . 0.0 109.568 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.4 mt -137.75 139.43 42.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 109.342 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.82 116.76 13.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.287 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -115.88 -155.19 10.57 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.446 1.091 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.564 ' O ' ' CD2' ' A' ' 14' ' ' HIS . 0.7 OUTLIER -137.89 68.94 1.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 0.726 . . . . 0.0 110.28 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.564 ' CD2' ' O ' ' A' ' 13' ' ' ARG . 7.8 p80 41.13 44.03 2.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.558 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.582 ' CB ' ' CD1' ' A' ' 48' ' ' PHE . 0.0 OUTLIER 80.27 152.74 0.12 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.416 1.072 . . . . 0.0 110.979 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.47 ' CG ' ' HG2' ' A' ' 18' ' ' LYS . 12.2 pt20 -156.3 -155.82 0.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.264 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.456 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -60.01 -57.82 11.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.47 ' HG2' ' CG ' ' A' ' 16' ' ' GLN . 0.5 OUTLIER -44.85 -33.59 2.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.395 1.059 . . . . 0.0 109.257 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.481 ' OD2' ' CD2' ' A' ' 48' ' ' PHE . 1.3 m-20 -77.45 -40.73 42.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.594 ' HA ' HD12 ' A' ' 23' ' ' ILE . 46.5 mt -68.49 -31.39 70.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.433 ' NE2' ' OH ' ' A' ' 61' ' ' TYR . 99.4 mm-40 -67.06 -47.76 70.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.55 -42.24 98.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.771 ' O ' HG23 ' A' ' 27' ' ' VAL . 32.0 mt -54.14 -54.45 20.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.7 ttpp -52.49 -29.66 26.07 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -70.57 -71.04 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.712 ' CD ' HG23 ' A' ' 40' ' ' THR . 3.7 pt-20 -49.51 -31.03 9.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.771 HG23 ' O ' ' A' ' 23' ' ' ILE . 59.8 t -68.07 -52.43 38.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.1 p -46.11 -33.41 3.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 1.172 . . . . 0.0 109.994 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -69.79 -37.59 76.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 110.277 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 27' ' ' VAL . . . -47.72 166.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.233 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.84 ' HB3' ' OG ' ' A' ' 34' ' ' SER . . . -104.7 163.22 17.66 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.471 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 18.4 Cg_endo -75.06 117.31 4.85 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 64.78 43.66 95.89 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.461 1.1 . . . . 0.0 110.989 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.84 ' OG ' ' HB3' ' A' ' 31' ' ' ALA . 56.6 p -129.5 156.71 78.18 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.464 0.743 . . . . 0.0 109.971 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 49.38 2.24 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.591 1.838 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 19.0 tp60 -121.53 -47.26 2.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.303 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.644 ' CD1' HG13 ' A' ' 27' ' ' VAL . 5.0 t80 -66.52 -65.44 0.68 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 111.026 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.626 ' CE ' HD22 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -47.23 -40.34 16.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -57.94 -39.97 79.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 110.323 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.712 HG23 ' CD ' ' A' ' 26' ' ' GLU . 1.1 m -65.85 -24.77 66.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 110.346 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.642 HG22 HD21 ' A' ' 118' ' ' LEU . 20.1 mm -70.65 -36.28 64.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.52 -33.74 64.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.249 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.2 tp -63.32 -34.27 77.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.492 ' HB1' ' CE1' ' A' ' 48' ' ' PHE . . . -80.14 -39.1 30.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.716 HG11 HD11 ' A' ' 118' ' ' LEU . 0.4 OUTLIER -71.54 -9.28 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? -109.3 -31.75 7.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -63.48 -61.45 2.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 110.251 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.582 ' CD1' ' CB ' ' A' ' 15' ' ' MET . 0.2 OUTLIER -119.33 -36.37 3.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.985 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 48' ' ' PHE . 6.4 t0 82.09 96.54 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.58 1.175 . . . . 0.0 109.351 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.446 ' HD2' HG23 ' A' ' 45' ' ' VAL . 18.3 Cg_endo -75.0 124.31 8.53 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.447 1.762 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.483 HG23 ' ND1' ' A' ' 14' ' ' HIS . 34.4 p -63.64 -177.01 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.389 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.64 -45.68 66.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.95 -61.88 2.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.352 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -47.16 -36.82 9.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.26 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.984 HD13 ' CG ' ' A' ' 117' ' ' TRP . 15.1 mt -68.3 -49.09 62.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.1 tp60 -50.76 -48.06 59.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.587 1.179 . . . . 0.0 110.287 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.416 ' C ' ' N ' ' A' ' 59' ' ' LEU . 0.4 OUTLIER -70.04 -56.95 5.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.563 ' HB2' HD21 ' A' ' 20' ' ' LEU . 21.1 tp -45.72 -25.97 0.57 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.416 ' N ' ' C ' ' A' ' 57' ' ' ASP . 39.9 tp -74.85 -53.28 9.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.93 23.55 2.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.208 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.433 ' OH ' ' NE2' ' A' ' 21' ' ' GLN . 42.4 t80 -119.4 -32.57 4.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.613 HD13 ' HE1' ' A' ' 37' ' ' PHE . 5.7 mt -97.71 -60.96 1.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.564 1.165 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.453 ' SG ' HG12 ' A' ' 67' ' ' VAL . 13.6 p -84.74 -174.69 5.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 108.352 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 13.6 t -94.02 -173.66 3.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.018 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.0 t -71.74 -31.81 67.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.965 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.0 tp -57.71 -67.56 0.32 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.453 HG12 ' SG ' ' A' ' 63' ' ' CYS . 2.2 t -50.14 -52.26 14.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -46.67 -37.9 9.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.216 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.1 p -72.69 -50.33 25.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.147 . . . . 0.0 110.033 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 71.5 mt -52.02 -53.08 46.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.493 ' ND1' ' HB3' ' A' ' 120' ' ' ALA . 0.4 OUTLIER -55.32 -43.0 74.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.081 . . . . 0.0 109.605 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -56.09 -22.4 27.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.646 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -81.13 -71.0 0.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.163 . . . . 0.0 110.358 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.408 ' OE1' ' O ' ' A' ' 120' ' ' ALA . 0.0 OUTLIER -49.37 -35.79 19.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.13 . . . . 0.0 110.288 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.539 HD23 ' HB2' ' A' ' 120' ' ' ALA . 1.2 tm? -72.11 -44.94 62.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -48.56 -49.1 37.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.079 . . . . 0.0 109.351 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.8 t -61.81 -37.13 83.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.978 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.906 HD23 ' HG ' ' A' ' 116' ' ' LEU . 12.3 tp -62.41 -41.59 98.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.076 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.76 HD13 HD11 ' A' ' 116' ' ' LEU . 18.4 mm -55.48 -52.94 41.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.5 t -51.28 -33.52 28.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.955 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -60.94 -43.88 98.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 110.283 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.884 ' HB1' HG12 ' A' ' 87' ' ' ILE . . . -67.73 -62.27 1.49 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -47.29 -33.89 6.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.1 m -65.68 -45.69 81.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 110.458 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -75.89 -3.54 35.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.254 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.69 -8.14 60.19 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.484 1.115 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.95 HG21 HD11 ' A' ' 109' ' ' LEU . 28.8 mt 57.11 163.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.56 0.8 . . . . 0.0 109.221 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.596 HG23 ' H ' ' A' ' 89' ' ' GLY . 1.6 t -49.51 -59.75 3.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.371 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.596 ' H ' HG23 ' A' ' 88' ' ' THR . . . -153.69 54.16 0.44 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.449 1.093 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.7 ' CG ' HD12 ' A' ' 87' ' ' ILE . 48.7 t80 -79.53 154.0 29.13 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 0.754 . . . . 0.0 110.982 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.453 HD22 HD12 ' A' ' 93' ' ' LEU . 1.1 m120 -110.57 99.05 39.7 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -38.26 1.66 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.573 1.828 . . . . 0.0 111.015 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.812 HD22 ' C ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -53.04 -23.09 6.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.464 ' N ' HD13 ' A' ' 93' ' ' LEU . . . -72.75 -65.38 0.8 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.408 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.521 ' N ' ' CD ' ' A' ' 96' ' ' PRO . . . 123.0 -49.31 0.9 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.458 1.099 . . . . 0.0 111.012 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.521 ' CD ' ' N ' ' A' ' 95' ' ' GLY . 18.5 Cg_endo -74.95 160.61 40.09 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.498 1.789 . . . . 0.0 111.064 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.703 HD22 HG23 ' A' ' 79' ' ' ILE . 34.2 tp -120.37 -47.78 2.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.12 -26.58 67.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 45.5 t -61.92 -47.73 91.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.167 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 29.1 mp0 -69.08 -35.16 76.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 0.0 110.33 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.2 -36.11 76.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -81.62 -11.02 59.27 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.454 1.096 . . . . 0.0 109.266 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -81.32 125.34 79.29 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.05 47.08 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.501 1.79 . . . . 0.0 110.995 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -145.86 17.59 1.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.582 ' NE2' HD12 ' A' ' 109' ' ' LEU . 10.4 mm100 -143.55 61.59 1.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 110.291 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -30.48 69.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -65.96 -53.08 32.45 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.433 1.083 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.95 HD11 HG21 ' A' ' 87' ' ' ILE . 1.1 mt -71.37 -42.71 68.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 0.736 . . . . 0.0 109.242 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -48.11 -46.15 33.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 114' ' ' GLN . 61.3 mtt180 -69.88 -61.79 1.64 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 110.314 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.5 ' HG2' HD23 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -42.77 -27.12 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.588 1.18 . . . . 0.0 110.278 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.441 ' N ' ' HG3' ' A' ' 112' ' ' GLU . 7.2 t80 -76.72 -43.76 36.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 111' ' ' ARG . 53.4 mm-40 -52.26 -38.63 58.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.331 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -78.96 -59.08 2.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.087 . . . . 0.0 110.253 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.906 ' HG ' HD23 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -44.52 -37.31 3.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.19 -179.911 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.984 ' CG ' HD13 ' A' ' 55' ' ' LEU . 61.2 t90 -66.05 -60.22 3.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 107.977 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.716 HD11 HG11 ' A' ' 45' ' ' VAL . 74.7 mt -51.03 -25.44 4.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.103 . . . . 0.0 109.318 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.654 ' HB3' ' O ' ' A' ' 116' ' ' LEU . . . -62.45 -65.44 0.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.539 ' HB2' HD23 ' A' ' 75' ' ' LEU . . . -50.65 -45.04 57.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.579 ' CE2' ' CH2' ' A' ' 117' ' ' TRP . 0.4 OUTLIER -57.02 -31.54 65.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.155 . . . . 0.0 110.942 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -101.57 10.08 40.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.461 ' HB3' ' HA ' ' A' ' 120' ' ' ALA . . . -105.42 -0.07 26.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 82.4 mt -62.78 154.9 73.34 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.258 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 55.89 4.07 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.417 1.746 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 127' ' ' SER . . . 104.1 48.88 1.11 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.52 1.138 . . . . 0.0 111.027 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 126' ' ' GLY . 1.6 t -39.08 123.36 1.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.42 0.718 . . . . 0.0 110.058 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 63.77 72.31 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -88.25 -168.78 2.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 21.0 p-10 -168.47 126.9 0.94 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 109.314 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.718 ' HG2' ' HB2' ' A' ' 134' ' ' ALA . 18.4 Cg_endo -74.97 159.12 41.83 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.475 1.776 . . . . 0.0 111.073 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 72.4 m -75.1 -29.44 60.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.013 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.815 ' HA ' HD12 ' A' ' 136' ' ' ILE . 29.3 p-90 -75.37 -13.11 60.38 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.554 1.159 . . . . 0.0 107.976 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.718 ' HB2' ' HG2' ' A' ' 131' ' ' PRO . . . -68.09 -9.43 46.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.133 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 71.0 m -131.28 31.13 4.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 109.964 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.815 HD12 ' HA ' ' A' ' 133' ' ' TRP . 97.0 mt -118.87 115.85 49.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.838 HD23 ' HB3' ' A' ' 176' ' ' ASN . 0.7 OUTLIER -136.26 162.28 33.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.574 1.171 . . . . 0.0 109.349 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.475 ' CA ' ' OE1' ' A' ' 138' ' ' GLN . 4.9 tp60 -93.0 98.96 11.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 110.266 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . 0.472 ' O ' ' NE2' ' A' ' 138' ' ' GLN . . . -63.34 154.15 45.23 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.436 1.085 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.401 HD22 ' O ' ' A' ' 140' ' ' LEU . 2.3 tm? -66.38 -24.26 66.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 0.765 . . . . 0.0 109.307 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -117.04 40.71 2.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.271 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -139.99 159.6 63.77 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.235 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 110.27 3.08 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.475 1.776 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . 0.769 ' O ' HG23 ' A' ' 148' ' ' VAL . 19.4 t80 -71.69 -48.35 47.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . 0.451 ' C ' ' CD2' ' A' ' 145' ' ' HIS . 0.7 OUTLIER -52.09 -53.74 38.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.534 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -59.42 -40.03 85.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.233 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . 0.591 ' CZ ' ' O ' ' A' ' 137' ' ' LEU . 0.1 OUTLIER -58.62 -46.0 88.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 111.007 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.769 HG23 ' O ' ' A' ' 144' ' ' TYR . 25.3 t -54.81 -42.54 62.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -61.56 -60.77 3.19 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.135 . . . . 0.0 110.328 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.584 ' HA ' HD12 ' A' ' 153' ' ' ILE . 0.0 OUTLIER -55.09 -26.9 41.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.343 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.463 ' HB3' ' CD1' ' A' ' 169' ' ' LEU . 1.3 mt -64.68 -53.31 49.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.577 1.173 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -57.85 -37.98 74.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.584 HD12 ' HA ' ' A' ' 150' ' ' ARG . 39.2 mt -65.88 -69.67 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.354 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -43.87 -29.74 0.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.259 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 0.602 HD23 HD23 ' A' ' 159' ' ' LEU . 9.2 mt -74.17 -51.1 16.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -53.62 -20.19 4.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -115.04 24.55 11.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.248 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -173.27 33.13 0.11 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.506 1.128 . . . . 0.0 110.96 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.602 HD23 HD23 ' A' ' 155' ' ' LEU . 0.2 OUTLIER -148.23 109.19 3.67 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.748 . . . . 0.0 109.287 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 154.69 42.74 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.572 1.828 . . . . 0.0 111.072 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -66.13 -39.36 89.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 110.324 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -40.27 -32.65 0.44 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' THR . . . . . 0.413 HG23 ' HD2' ' A' ' 164' ' ' PRO . 0.6 OUTLIER -115.42 147.86 39.64 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.488 0.758 . . . . 0.0 110.391 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' PRO . . . . . 0.413 ' HD2' HG23 ' A' ' 163' ' ' THR . 18.6 Cg_endo -74.92 147.82 34.82 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.536 1.808 . . . . 0.0 111.035 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.45 -30.32 7.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . 0.516 ' N ' ' CD ' ' A' ' 167' ' ' PRO . 0.2 OUTLIER -41.1 -51.92 7.39 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 167' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 166' ' ' ASP . 18.4 Cg_endo -74.96 -52.42 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.54 1.81 . . . . 0.0 110.981 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . 0.517 ' CD1' HD21 ' A' ' 159' ' ' LEU . 0.0 OUTLIER -45.91 -44.08 4.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.587 1.18 . . . . 0.0 109.344 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . 0.463 ' CD1' ' HB3' ' A' ' 151' ' ' LEU . 20.0 tp -63.26 -67.06 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . 0.43 ' HB3' ' NH1' ' A' ' 170' ' ' ARG . 10.5 ttp-105 -43.57 -28.84 0.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.362 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 175' ' ' SER . 0.2 OUTLIER -78.6 -49.42 13.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.99 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.661 HD21 ' HE3' ' A' ' 133' ' ' TRP . 35.7 mt -56.8 -24.78 53.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.565 1.166 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . 0.712 ' O ' ' HB2' ' A' ' 177' ' ' ALA . . . -87.91 -69.82 0.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 174' ' ' TYR . . . . . 0.466 ' O ' ' N ' ' A' ' 176' ' ' ASN . 14.1 t80 -66.6 -67.73 0.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 0.0 111.019 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 171' ' ' SER . 0.3 OUTLIER -37.53 -31.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.015 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . 0.838 ' HB3' HD23 ' A' ' 137' ' ' LEU . 38.4 m-20 -126.25 55.05 1.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . 0.712 ' HB2' ' O ' ' A' ' 173' ' ' ALA . . . -115.57 142.25 46.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . 0.632 ' ND2' ' H ' ' A' ' 181' ' ' CYS . 7.1 p-10 -53.54 -172.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.42 ' C ' ' N ' ' A' ' 181' ' ' CYS . 0.2 OUTLIER -76.09 -62.87 1.46 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -44.23 -25.2 0.21 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.543 1.152 . . . . 0.0 110.295 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 181' ' ' CYS . . . . . 0.632 ' H ' ' ND2' ' A' ' 178' ' ' ASN . 1.2 m -81.7 -69.04 0.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 108.327 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . 0.44 ' O ' ' NE2' ' A' ' 186' ' ' GLN . 4.5 mt-30 -43.2 -39.25 2.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -41.48 75.9 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.668 ' C ' HD23 ' A' ' 184' ' ' LEU . 3.0 tt -64.74 -57.66 8.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . 0.75 HD11 ' HE3' ' A' ' 198' ' ' MET . 5.4 mt -46.64 -49.87 18.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . 0.44 ' NE2' ' O ' ' A' ' 182' ' ' GLN . 0.9 OUTLIER -61.0 -62.05 2.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 110.279 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 187' ' ' ALA . . . . . . . . . . . . . . . -47.56 -29.27 2.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.42 1.075 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . 0.53 HH12 HG21 ' A' ' 204' ' ' THR . 0.1 OUTLIER -72.23 -38.43 68.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.338 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 189' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 186' ' ' GLN . . . 75.75 57.67 4.07 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.5 1.125 . . . . 0.0 111.067 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 190' ' ' HIS . . . . . 0.584 ' NE2' HD23 ' A' ' 185' ' ' LEU . 0.8 OUTLIER -154.34 23.81 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 0.801 . . . . 0.0 109.606 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -51.77 -44.65 63.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.44 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -92.9 66.73 4.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.361 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 193' ' ' SER . . . . . 0.545 ' CB ' ' CD ' ' A' ' 194' ' ' PRO . 0.1 OUTLIER -145.54 -179.85 1.03 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.079 . . . . 0.0 109.971 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . 0.545 ' CD ' ' CB ' ' A' ' 193' ' ' SER . 18.0 Cg_endo -74.99 171.72 17.77 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.502 1.791 . . . . 0.0 110.978 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . 0.562 HD21 ' CG1' ' A' ' 148' ' ' VAL . 9.7 tp -65.81 -39.58 91.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -45.15 -38.25 6.21 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.471 1.107 . . . . 0.0 111.049 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . 0.424 ' HB3' ' ND1' ' A' ' 190' ' ' HIS . 8.8 m-20 -76.77 -32.58 57.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 198' ' ' MET . . . . . 0.75 ' HE3' HD11 ' A' ' 185' ' ' LEU . 68.5 mmm -61.91 -47.47 84.79 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.439 1.087 . . . . 0.0 111.021 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 199' ' ' LEU . . . . . 0.661 HD21 HG11 ' A' ' 148' ' ' VAL . 2.1 mm? -74.69 -19.72 60.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.344 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.33 -10.08 53.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -99.06 -30.45 12.32 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.463 1.102 . . . . 0.0 109.347 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 202' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 205' ' ' TRP . 13.9 p -91.4 -14.57 30.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 108.341 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 203' ' ' GLN . . . . . 0.4 ' HG3' ' N ' ' A' ' 204' ' ' THR . 9.0 pt20 -46.64 -34.23 4.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.378 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 204' ' ' THR . . . . . 0.53 HG21 HH12 ' A' ' 188' ' ' ARG . 0.0 OUTLIER -85.69 -25.34 26.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.406 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 205' ' ' TRP . . . . . 0.471 ' HB2' ' CD1' ' A' ' 184' ' ' LEU . 6.1 t90 -71.34 61.2 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 108.04 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 206' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 204' ' ' THR . 45.2 p -142.3 152.08 59.94 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.592 1.183 . . . . 0.0 110.366 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 91.23 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.51 1.795 . . . . 0.0 111.019 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 208' ' ' LYS . . . . . . . . . . . . . 11.0 ttmt -169.19 101.17 0.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 172.81 -58.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -174.52 174.8 2.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.414 1.071 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 21.0 m -70.88 114.75 9.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.403 1.064 . . . . 0.0 110.406 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.8 146.49 1.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 213' ' ' VAL . . . . . . . . . . . . . 80.8 t -48.0 -68.05 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 214' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.983 . . . . . . . . 1 1 . 1 stop_ save_